NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447899 |
2kt0   |
16680 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kt0
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 785
_Distance_constraint_stats_list.Viol_count 1011
_Distance_constraint_stats_list.Viol_total 2582.080
_Distance_constraint_stats_list.Viol_max 1.009
_Distance_constraint_stats_list.Viol_rms 0.0573
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.1277
_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 1 SER 20.325 1.009 16 17 "[*-*** **** ***.+****]"
1 2 LYS 0.291 0.074 18 0 "[ . 1 . 2]"
1 3 GLN 0.291 0.074 18 0 "[ . 1 . 2]"
1 4 PRO 6.092 0.890 16 7 "[- **. 1* *+ *]"
1 5 THR 6.557 0.890 16 7 "[- **. 1* *+ *]"
1 6 SER 0.464 0.142 18 0 "[ . 1 . 2]"
1 9 ASN 0.228 0.112 14 0 "[ . 1 . 2]"
1 10 SER 0.565 0.112 14 0 "[ . 1 . 2]"
1 11 VAL 1.798 0.363 20 0 "[ . 1 . 2]"
1 12 ALA 1.570 0.363 20 0 "[ . 1 . 2]"
1 13 LYS 0.145 0.063 20 0 "[ . 1 . 2]"
1 14 LYS 0.111 0.057 17 0 "[ . 1 . 2]"
1 15 GLU 0.075 0.057 17 0 "[ . 1 . 2]"
1 16 ASP 0.120 0.109 14 0 "[ . 1 . 2]"
1 17 LYS 0.538 0.185 13 0 "[ . 1 . 2]"
1 18 VAL 0.928 0.185 13 0 "[ . 1 . 2]"
1 19 PRO 0.081 0.036 4 0 "[ . 1 . 2]"
1 20 VAL 3.988 0.212 4 0 "[ . 1 . 2]"
1 21 LYS 1.515 0.212 4 0 "[ . 1 . 2]"
1 22 LYS 0.420 0.207 17 0 "[ . 1 . 2]"
1 23 GLN 0.420 0.207 17 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 1.938 0.177 9 0 "[ . 1 . 2]"
1 28 VAL 1.938 0.177 9 0 "[ . 1 . 2]"
1 29 PHE 6.607 0.832 3 2 "[ + . 1 . - 2]"
1 30 SER 1.526 0.124 9 0 "[ . 1 . 2]"
1 31 SER 0.020 0.013 12 0 "[ . 1 . 2]"
1 32 THR 0.403 0.089 7 0 "[ . 1 . 2]"
1 33 GLN 0.553 0.089 15 0 "[ . 1 . 2]"
1 34 LEU 1.428 0.124 9 0 "[ . 1 . 2]"
1 35 CYS 0.314 0.066 15 0 "[ . 1 . 2]"
1 36 VAL 0.516 0.091 11 0 "[ . 1 . 2]"
1 37 LEU 0.718 0.567 3 1 "[ + . 1 . 2]"
1 38 ASN 3.126 0.155 20 0 "[ . 1 . 2]"
1 39 ASP 1.750 0.224 17 0 "[ . 1 . 2]"
1 40 ARG 3.023 0.785 15 1 "[ . 1 + 2]"
1 41 PHE 6.084 0.785 15 1 "[ . 1 + 2]"
1 42 GLN 2.947 0.224 17 0 "[ . 1 . 2]"
1 43 ARG 0.467 0.079 17 0 "[ . 1 . 2]"
1 44 GLN 0.708 0.088 15 0 "[ . 1 . 2]"
1 45 LYS 0.473 0.158 8 0 "[ . 1 . 2]"
1 46 TYR 1.239 0.134 13 0 "[ . 1 . 2]"
1 47 LEU 7.593 0.825 7 3 "[ . + *1 . - 2]"
1 48 SER 5.052 0.207 16 0 "[ . 1 . 2]"
1 49 LEU 20.621 1.009 7 16 "[ -*** +*******.* ***]"
1 50 GLN 2.152 0.165 9 0 "[ . 1 . 2]"
1 51 GLN 2.420 0.420 6 0 "[ . 1 . 2]"
1 52 MET 8.156 0.825 7 3 "[ . + *1 . - 2]"
1 53 GLN 7.720 1.009 16 8 "[* * * * - .+** 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 4.279 0.357 13 0 "[ . 1 . 2]"
1 56 SER 8.725 0.357 13 0 "[ . 1 . 2]"
1 57 ASN 0.201 0.172 13 0 "[ . 1 . 2]"
1 58 ILE 4.816 0.247 18 0 "[ . 1 . 2]"
1 59 LEU 2.934 0.135 20 0 "[ . 1 . 2]"
1 60 ASN 0.733 0.133 16 0 "[ . 1 . 2]"
1 61 LEU 1.587 0.109 18 0 "[ . 1 . 2]"
1 62 SER 2.376 0.109 18 0 "[ . 1 . 2]"
1 63 TYR 2.790 0.181 10 0 "[ . 1 . 2]"
1 64 LYS 3.933 0.137 16 0 "[ . 1 . 2]"
1 65 GLN 1.077 0.114 17 0 "[ . 1 . 2]"
1 66 VAL 7.427 0.181 10 0 "[ . 1 . 2]"
1 67 LYS 4.914 0.937 19 3 "[ - 1* . +2]"
1 68 THR 2.686 0.147 14 0 "[ . 1 . 2]"
1 69 TRP 0.091 0.042 14 0 "[ . 1 . 2]"
1 70 PHE 17.834 0.950 13 18 "[*-****** ***+ ******]"
1 71 GLN 18.189 0.950 13 18 "[*-****** ***+ ******]"
1 72 ASN 5.905 0.625 14 1 "[ . 1 +. 2]"
1 73 GLN 0.212 0.096 6 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 MET 6.015 0.625 14 1 "[ . 1 +. 2]"
1 76 LYS 0.114 0.046 5 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TRP 0.207 0.112 5 0 "[ . 1 . 2]"
1 81 GLN 0.207 0.112 5 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASN 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 2 LYS HA 1 3 GLN H . . 3.480 2.931 2.099 3.554 0.074 18 0 "[ . 1 . 2]" 1
2 1 5 THR HB 1 6 SER H . . 4.420 3.806 2.391 4.435 0.015 4 0 "[ . 1 . 2]" 1
3 1 9 ASN HA 1 10 SER H . . 3.080 2.469 2.112 3.186 0.106 17 0 "[ . 1 . 2]" 1
4 1 10 SER HA 1 11 VAL H . . 3.440 2.706 2.115 3.546 0.106 10 0 "[ . 1 . 2]" 1
5 1 11 VAL HA 1 12 ALA H . . 3.190 2.380 2.095 3.350 0.160 12 0 "[ . 1 . 2]" 1
6 1 16 ASP HA 1 17 LYS H . . 3.340 2.600 2.125 3.313 . 0 0 "[ . 1 . 2]" 1
7 1 16 ASP HB2 1 17 LYS H . . 6.000 3.869 1.975 4.603 . 0 0 "[ . 1 . 2]" 1
8 1 16 ASP HB3 1 17 LYS H . . 6.000 3.691 2.314 4.585 . 0 0 "[ . 1 . 2]" 1
9 1 17 LYS HA 1 18 VAL H . . 2.800 2.479 2.105 2.985 0.185 13 0 "[ . 1 . 2]" 1
10 1 19 PRO HA 1 20 VAL H . . 2.800 2.282 2.104 2.586 . 0 0 "[ . 1 . 2]" 1
11 1 19 PRO HB3 1 20 VAL H . . 4.490 4.019 2.876 4.516 0.026 9 0 "[ . 1 . 2]" 1
12 1 20 VAL HA 1 21 LYS H . . 2.830 2.414 2.147 2.941 0.111 5 0 "[ . 1 . 2]" 1
13 1 20 VAL HB 1 21 LYS H . . 4.380 4.376 4.009 4.449 0.069 8 0 "[ . 1 . 2]" 1
14 1 5 THR HA 1 6 SER H . . 3.340 2.641 2.108 3.482 0.142 18 0 "[ . 1 . 2]" 1
15 1 26 ARG HB2 1 27 THR H . . 5.570 2.879 2.002 4.152 . 0 0 "[ . 1 . 2]" 1
16 1 26 ARG HB3 1 27 THR H . . 5.570 3.033 1.774 4.290 . 0 0 "[ . 1 . 2]" 1
17 1 27 THR HB 1 28 VAL H . . 2.830 2.924 2.781 3.007 0.177 9 0 "[ . 1 . 2]" 1
18 1 27 THR HA 1 28 VAL H . . 2.830 2.235 2.115 2.540 . 0 0 "[ . 1 . 2]" 1
19 1 19 PRO HB2 1 20 VAL H . . 4.490 3.768 2.102 4.281 . 0 0 "[ . 1 . 2]" 1
20 1 29 PHE H 1 30 SER H . . 5.060 4.498 4.405 4.585 . 0 0 "[ . 1 . 2]" 1
21 1 29 PHE HA 1 30 SER H . . 2.870 2.382 2.126 2.560 . 0 0 "[ . 1 . 2]" 1
22 1 29 PHE HB2 1 30 SER H . . 4.130 3.752 3.261 4.204 0.074 6 0 "[ . 1 . 2]" 1
23 1 29 PHE HB3 1 30 SER H . . 4.130 2.566 2.167 3.238 . 0 0 "[ . 1 . 2]" 1
24 1 30 SER HB2 1 31 SER H . . 5.460 3.775 3.387 4.021 . 0 0 "[ . 1 . 2]" 1
25 1 32 THR H 1 33 GLN H . . 3.440 2.738 2.566 2.861 . 0 0 "[ . 1 . 2]" 1
26 1 30 SER HB3 1 33 GLN H . . 4.960 3.299 2.349 4.140 . 0 0 "[ . 1 . 2]" 1
27 1 33 GLN H 1 34 LEU H . . 3.260 2.638 2.433 2.779 . 0 0 "[ . 1 . 2]" 1
28 1 33 GLN HB2 1 34 LEU H . . 4.090 2.573 2.358 3.847 . 0 0 "[ . 1 . 2]" 1
29 1 33 GLN HB3 1 34 LEU H . . 4.090 3.511 2.569 3.755 . 0 0 "[ . 1 . 2]" 1
30 1 34 LEU HB2 1 35 CYS H . . 3.660 2.616 2.467 2.896 . 0 0 "[ . 1 . 2]" 1
31 1 34 LEU HB3 1 35 CYS H . . 4.780 3.580 3.410 3.862 . 0 0 "[ . 1 . 2]" 1
32 1 36 VAL H 1 37 LEU H . . 3.410 2.672 2.595 2.789 . 0 0 "[ . 1 . 2]" 1
33 1 36 VAL HB 1 37 LEU H . . 3.480 2.609 2.463 2.685 . 0 0 "[ . 1 . 2]" 1
34 1 37 LEU H 1 38 ASN H . . 3.190 2.683 2.586 2.820 . 0 0 "[ . 1 . 2]" 1
35 1 37 LEU HB2 1 38 ASN H . . 4.130 2.514 2.405 2.616 . 0 0 "[ . 1 . 2]" 1
36 1 37 LEU HB3 1 38 ASN H . . 4.130 3.541 3.377 3.645 . 0 0 "[ . 1 . 2]" 1
37 1 38 ASN H 1 39 ASP H . . 3.080 2.615 2.520 2.724 . 0 0 "[ . 1 . 2]" 1
38 1 38 ASN HB3 1 39 ASP H . . 4.310 2.620 2.409 2.843 . 0 0 "[ . 1 . 2]" 1
39 1 39 ASP HB2 1 40 ARG H . . 3.880 3.756 2.582 4.079 0.199 19 0 "[ . 1 . 2]" 1
40 1 39 ASP HB3 1 40 ARG H . . 3.880 2.632 2.380 3.562 . 0 0 "[ . 1 . 2]" 1
41 1 41 PHE H 1 42 GLN H . . 3.370 2.557 2.448 2.708 . 0 0 "[ . 1 . 2]" 1
42 1 38 ASN HA 1 42 GLN H . . 4.160 4.196 3.704 4.315 0.155 20 0 "[ . 1 . 2]" 1
43 1 42 GLN H 1 43 ARG H . . 3.260 2.436 2.279 2.613 . 0 0 "[ . 1 . 2]" 1
44 1 43 ARG H 1 44 GLN H . . 2.940 2.391 1.999 2.697 . 0 0 "[ . 1 . 2]" 1
45 1 45 LYS H 1 46 TYR H . . 3.010 2.598 2.038 2.790 . 0 0 "[ . 1 . 2]" 1
46 1 46 TYR H 1 47 LEU H . . 4.560 4.371 4.295 4.425 . 0 0 "[ . 1 . 2]" 1
47 1 46 TYR HB2 1 47 LEU H . . 4.200 3.565 2.936 3.934 . 0 0 "[ . 1 . 2]" 1
48 1 46 TYR HB3 1 47 LEU H . . 4.200 2.299 1.788 2.820 . 0 0 "[ . 1 . 2]" 1
49 1 48 SER H 1 51 GLN H . . 3.840 3.468 3.200 3.670 . 0 0 "[ . 1 . 2]" 1
50 1 47 LEU HA 1 48 SER H . . 2.900 2.178 2.102 2.280 . 0 0 "[ . 1 . 2]" 1
51 1 48 SER H 1 49 LEU H . . 4.310 4.470 4.417 4.517 0.207 16 0 "[ . 1 . 2]" 1
52 1 48 SER HA 1 49 LEU H . . 2.980 2.559 2.485 2.665 . 0 0 "[ . 1 . 2]" 1
53 1 49 LEU H 1 50 GLN H . . 3.160 2.562 2.420 2.674 . 0 0 "[ . 1 . 2]" 1
54 1 49 LEU HB2 1 50 GLN H . . 4.780 3.458 2.554 3.923 . 0 0 "[ . 1 . 2]" 1
55 1 50 GLN H 1 51 GLN H . . 3.190 2.498 2.414 2.571 . 0 0 "[ . 1 . 2]" 1
56 1 51 GLN HB2 1 52 MET H . . 4.240 2.840 2.565 4.062 . 0 0 "[ . 1 . 2]" 1
57 1 51 GLN HB3 1 52 MET H . . 4.240 3.584 2.858 3.827 . 0 0 "[ . 1 . 2]" 1
58 1 53 GLN H 1 54 GLU H . . 3.190 2.487 2.429 2.559 . 0 0 "[ . 1 . 2]" 1
59 1 55 LEU H 1 56 SER H . . 3.300 2.708 2.470 2.884 . 0 0 "[ . 1 . 2]" 1
60 1 55 LEU HA 1 56 SER H . . 3.410 3.521 3.501 3.545 0.135 14 0 "[ . 1 . 2]" 1
61 1 55 LEU HB2 1 56 SER H . . 3.980 3.537 2.860 3.890 . 0 0 "[ . 1 . 2]" 1
62 1 55 LEU HB3 1 56 SER H . . 3.980 2.682 2.324 3.266 . 0 0 "[ . 1 . 2]" 1
63 1 56 SER H 1 57 ASN H . . 3.260 2.800 2.643 2.929 . 0 0 "[ . 1 . 2]" 1
64 1 57 ASN HB3 1 58 ILE H . . 4.270 2.837 2.671 3.712 . 0 0 "[ . 1 . 2]" 1
65 1 58 ILE H 1 59 LEU H . . 3.160 2.574 2.480 2.638 . 0 0 "[ . 1 . 2]" 1
66 1 56 SER HA 1 59 LEU H . . 3.660 3.690 3.419 3.795 0.135 20 0 "[ . 1 . 2]" 1
67 1 58 ILE HB 1 59 LEU H . . 3.190 2.584 2.306 2.800 . 0 0 "[ . 1 . 2]" 1
68 1 59 LEU HA 1 60 ASN H . . 3.190 3.195 3.153 3.235 0.045 6 0 "[ . 1 . 2]" 1
69 1 59 LEU HB2 1 60 ASN H . . 4.700 3.759 3.555 4.271 . 0 0 "[ . 1 . 2]" 1
70 1 59 LEU HB3 1 60 ASN H . . 4.700 4.167 3.550 4.383 . 0 0 "[ . 1 . 2]" 1
71 1 60 ASN HA 1 61 LEU H . . 3.080 2.769 2.437 2.943 . 0 0 "[ . 1 . 2]" 1
72 1 60 ASN HB2 1 61 LEU H . . 6.000 4.518 4.153 4.634 . 0 0 "[ . 1 . 2]" 1
73 1 61 LEU H 1 62 SER H . . 6.000 4.429 4.379 4.489 . 0 0 "[ . 1 . 2]" 1
74 1 61 LEU HA 1 62 SER H . . 2.980 2.540 2.380 2.632 . 0 0 "[ . 1 . 2]" 1
75 1 61 LEU HB3 1 62 SER H . . 3.840 2.253 1.930 3.419 . 0 0 "[ . 1 . 2]" 1
76 1 62 SER H 1 63 TYR H . . 5.280 4.530 4.490 4.580 . 0 0 "[ . 1 . 2]" 1
77 1 62 SER HA 1 63 TYR H . . 3.120 2.203 2.161 2.250 . 0 0 "[ . 1 . 2]" 1
78 1 63 TYR H 1 64 LYS H . . 3.340 2.678 2.591 2.789 . 0 0 "[ . 1 . 2]" 1
79 1 63 TYR HB2 1 64 LYS H . . 4.700 4.051 3.968 4.123 . 0 0 "[ . 1 . 2]" 1
80 1 64 LYS HB2 1 65 GLN H . . 3.800 2.936 2.511 3.846 0.046 13 0 "[ . 1 . 2]" 1
81 1 64 LYS HB3 1 65 GLN H . . 3.800 3.501 2.575 3.914 0.114 17 0 "[ . 1 . 2]" 1
82 1 65 GLN H 1 66 VAL H . . 2.980 2.585 2.470 2.667 . 0 0 "[ . 1 . 2]" 1
83 1 65 GLN HB2 1 66 VAL H . . 3.950 2.688 2.540 3.656 . 0 0 "[ . 1 . 2]" 1
84 1 65 GLN HB3 1 66 VAL H . . 3.950 3.522 2.484 3.701 . 0 0 "[ . 1 . 2]" 1
85 1 66 VAL HB 1 67 LYS H . . 3.340 2.687 2.528 2.793 . 0 0 "[ . 1 . 2]" 1
86 1 67 LYS H 1 68 THR H . . 3.260 2.667 2.587 2.759 . 0 0 "[ . 1 . 2]" 1
87 1 67 LYS HA 1 68 THR H . . 3.440 3.524 3.507 3.541 0.101 6 0 "[ . 1 . 2]" 1
88 1 68 THR H 1 69 TRP H . . 3.370 2.626 2.480 2.750 . 0 0 "[ . 1 . 2]" 1
89 1 68 THR HB 1 69 TRP H . . 3.370 2.680 2.507 2.801 . 0 0 "[ . 1 . 2]" 1
90 1 71 GLN H 1 72 ASN H . . 3.730 2.620 2.477 2.784 . 0 0 "[ . 1 . 2]" 1
91 1 74 ARG H 1 75 MET H . . 3.080 2.645 2.560 2.859 . 0 0 "[ . 1 . 2]" 1
92 1 76 LYS H 1 77 SER H . . 3.730 2.593 2.384 2.926 . 0 0 "[ . 1 . 2]" 1
93 1 80 TRP HA 1 81 GLN H . . 3.160 2.332 2.100 2.850 . 0 0 "[ . 1 . 2]" 1
94 1 81 GLN HB2 1 82 LYS H . . 5.140 3.996 3.097 4.603 . 0 0 "[ . 1 . 2]" 1
95 1 81 GLN HB3 1 82 LYS H . . 5.140 3.811 1.905 4.494 . 0 0 "[ . 1 . 2]" 1
96 1 11 VAL H 1 11 VAL HB . . 4.090 3.361 2.554 3.964 . 0 0 "[ . 1 . 2]" 1
97 1 12 ALA HA 1 13 LYS H . . 3.480 2.523 2.142 3.543 0.063 20 0 "[ . 1 . 2]" 1
98 1 18 VAL H 1 18 VAL HB . . 3.440 2.964 2.592 3.599 0.159 15 0 "[ . 1 . 2]" 1
99 1 20 VAL H 1 20 VAL HA . . 2.830 2.621 2.244 2.934 0.104 6 0 "[ . 1 . 2]" 1
100 1 20 VAL H 1 20 VAL HB . . 3.410 3.137 2.601 3.604 0.194 3 0 "[ . 1 . 2]" 1
101 1 27 THR H 1 27 THR HB . . 4.130 3.581 3.009 3.780 . 0 0 "[ . 1 . 2]" 1
102 1 28 VAL HB 1 29 PHE H . . 3.370 2.226 1.749 2.658 . 0 0 "[ . 1 . 2]" 1
103 1 30 SER H 1 30 SER HB2 . . 3.700 2.628 2.550 3.109 . 0 0 "[ . 1 . 2]" 1
104 1 30 SER H 1 30 SER HB3 . . 3.700 3.115 2.402 3.616 . 0 0 "[ . 1 . 2]" 1
105 1 30 SER HB3 1 31 SER H . . 5.460 3.154 2.450 3.924 . 0 0 "[ . 1 . 2]" 1
106 1 33 GLN H 1 33 GLN HB2 . . 3.880 2.491 2.354 2.713 . 0 0 "[ . 1 . 2]" 1
107 1 33 GLN H 1 33 GLN HB3 . . 3.880 3.537 2.529 3.619 . 0 0 "[ . 1 . 2]" 1
108 1 34 LEU H 1 34 LEU HB2 . . 3.120 2.460 2.371 2.542 . 0 0 "[ . 1 . 2]" 1
109 1 34 LEU H 1 34 LEU HB3 . . 3.770 3.585 3.574 3.599 . 0 0 "[ . 1 . 2]" 1
110 1 36 VAL H 1 36 VAL HB . . 3.080 2.538 2.430 2.618 . 0 0 "[ . 1 . 2]" 1
111 1 37 LEU H 1 37 LEU HB2 . . 3.910 2.482 2.409 2.546 . 0 0 "[ . 1 . 2]" 1
112 1 37 LEU H 1 37 LEU HB3 . . 3.910 3.590 3.577 3.604 . 0 0 "[ . 1 . 2]" 1
113 1 38 ASN H 1 38 ASN HB2 . . 3.260 2.539 2.360 2.696 . 0 0 "[ . 1 . 2]" 1
114 1 38 ASN H 1 38 ASN HB3 . . 3.260 2.514 2.332 2.702 . 0 0 "[ . 1 . 2]" 1
115 1 36 VAL H 1 38 ASN H . . 4.160 4.140 4.002 4.251 0.091 11 0 "[ . 1 . 2]" 1
116 1 39 ASP H 1 39 ASP HB2 . . 3.770 2.592 2.227 3.492 . 0 0 "[ . 1 . 2]" 1
117 1 43 ARG H 1 43 ARG HB3 . . 4.060 3.571 2.836 3.716 . 0 0 "[ . 1 . 2]" 1
118 1 46 TYR HA 1 47 LEU H . . 3.010 2.470 2.280 2.771 . 0 0 "[ . 1 . 2]" 1
119 1 47 LEU H 1 47 LEU HB2 . . 3.620 2.548 2.281 3.681 0.061 7 0 "[ . 1 . 2]" 1
120 1 47 LEU H 1 47 LEU HB3 . . 3.620 3.568 3.004 3.695 0.075 19 0 "[ . 1 . 2]" 1
121 1 48 SER H 1 48 SER HB2 . . 3.700 2.900 2.475 3.617 . 0 0 "[ . 1 . 2]" 1
122 1 48 SER H 1 48 SER HB3 . . 3.700 2.903 2.400 3.603 . 0 0 "[ . 1 . 2]" 1
123 1 49 LEU H 1 49 LEU HB2 . . 3.260 2.381 2.216 2.523 . 0 0 "[ . 1 . 2]" 1
124 1 49 LEU H 1 49 LEU HB3 . . 3.260 2.878 2.497 3.526 0.266 16 0 "[ . 1 . 2]" 1
125 1 50 GLN H 1 50 GLN HB2 . . 3.370 2.402 2.110 2.658 . 0 0 "[ . 1 . 2]" 1
126 1 50 GLN H 1 50 GLN HB3 . . 3.370 2.936 2.467 3.535 0.165 9 0 "[ . 1 . 2]" 1
127 1 51 GLN H 1 51 GLN HB2 . . 3.480 2.378 2.248 2.592 . 0 0 "[ . 1 . 2]" 1
128 1 51 GLN H 1 51 GLN HB3 . . 3.480 3.507 2.457 3.586 0.106 10 0 "[ . 1 . 2]" 1
129 1 53 GLN H 1 53 GLN HB2 . . 3.730 3.640 3.612 3.692 . 0 0 "[ . 1 . 2]" 1
130 1 53 GLN H 1 53 GLN HB3 . . 3.730 2.714 2.581 2.874 . 0 0 "[ . 1 . 2]" 1
131 1 54 GLU H 1 54 GLU HB2 . . 3.660 2.472 2.172 2.623 . 0 0 "[ . 1 . 2]" 1
132 1 54 GLU H 1 54 GLU HB3 . . 3.660 2.647 2.386 3.610 . 0 0 "[ . 1 . 2]" 1
133 1 55 LEU H 1 55 LEU HB2 . . 3.160 2.300 2.033 2.558 . 0 0 "[ . 1 . 2]" 1
134 1 55 LEU H 1 55 LEU HB3 . . 3.160 2.822 2.508 3.409 0.249 18 0 "[ . 1 . 2]" 1
135 1 57 ASN H 1 57 ASN HB2 . . 3.370 2.550 2.349 2.739 . 0 0 "[ . 1 . 2]" 1
136 1 57 ASN H 1 57 ASN HB3 . . 3.370 2.564 2.379 3.542 0.172 13 0 "[ . 1 . 2]" 1
137 1 58 ILE H 1 58 ILE HB . . 3.120 2.608 2.551 2.705 . 0 0 "[ . 1 . 2]" 1
138 1 59 LEU H 1 59 LEU HB2 . . 3.700 2.456 2.231 2.613 . 0 0 "[ . 1 . 2]" 1
139 1 59 LEU H 1 59 LEU HB3 . . 3.700 3.469 2.554 3.668 . 0 0 "[ . 1 . 2]" 1
140 1 60 ASN H 1 60 ASN HA . . 2.620 2.267 2.253 2.278 . 0 0 "[ . 1 . 2]" 1
141 1 60 ASN H 1 60 ASN HB2 . . 3.950 3.122 2.994 3.521 . 0 0 "[ . 1 . 2]" 1
142 1 60 ASN H 1 60 ASN HB3 . . 3.950 3.730 3.631 4.083 0.133 16 0 "[ . 1 . 2]" 1
143 1 61 LEU H 1 61 LEU HB2 . . 3.770 2.563 2.311 2.853 . 0 0 "[ . 1 . 2]" 1
144 1 61 LEU H 1 61 LEU HB3 . . 3.770 3.581 2.603 3.797 0.027 8 0 "[ . 1 . 2]" 1
145 1 62 SER H 1 62 SER HB2 . . 3.590 2.854 2.723 2.982 . 0 0 "[ . 1 . 2]" 1
146 1 62 SER H 1 62 SER HB3 . . 3.590 2.385 2.306 2.486 . 0 0 "[ . 1 . 2]" 1
147 1 63 TYR H 1 63 TYR HB2 . . 3.660 2.672 2.528 2.792 . 0 0 "[ . 1 . 2]" 1
148 1 64 LYS H 1 64 LYS HB2 . . 3.440 2.456 2.119 3.569 0.129 17 0 "[ . 1 . 2]" 1
149 1 64 LYS H 1 64 LYS HB3 . . 3.440 3.349 2.511 3.577 0.137 16 0 "[ . 1 . 2]" 1
150 1 65 GLN H 1 65 GLN HB2 . . 3.700 2.412 2.178 2.547 . 0 0 "[ . 1 . 2]" 1
151 1 65 GLN H 1 65 GLN HB3 . . 3.700 3.536 2.685 3.612 . 0 0 "[ . 1 . 2]" 1
152 1 66 VAL H 1 66 VAL HB . . 3.010 2.517 2.466 2.591 . 0 0 "[ . 1 . 2]" 1
153 1 68 THR H 1 68 THR HB . . 2.940 2.540 2.469 2.599 . 0 0 "[ . 1 . 2]" 1
154 1 69 TRP H 1 69 TRP HB2 . . 3.300 2.407 2.060 2.660 . 0 0 "[ . 1 . 2]" 1
155 1 69 TRP H 1 69 TRP HB3 . . 3.300 2.709 2.386 3.342 0.042 14 0 "[ . 1 . 2]" 1
156 1 20 VAL H 1 21 LYS H . . 3.440 3.225 2.110 3.652 0.212 4 0 "[ . 1 . 2]" 1
157 1 22 LYS H 1 23 GLN H . . 3.950 3.135 1.956 4.157 0.207 17 0 "[ . 1 . 2]" 1
158 1 34 LEU H 1 35 CYS H . . 3.340 2.745 2.625 2.846 . 0 0 "[ . 1 . 2]" 1
159 1 35 CYS H 1 36 VAL H . . 3.410 2.722 2.575 2.838 . 0 0 "[ . 1 . 2]" 1
160 1 39 ASP H 1 40 ARG H . . 3.010 2.770 2.640 2.946 . 0 0 "[ . 1 . 2]" 1
161 1 40 ARG H 1 41 PHE H . . 3.340 2.697 2.524 2.961 . 0 0 "[ . 1 . 2]" 1
162 1 47 LEU H 1 48 SER H . . 5.030 4.492 4.372 4.590 . 0 0 "[ . 1 . 2]" 1
163 1 51 GLN H 1 52 MET H . . 3.010 2.608 2.505 2.785 . 0 0 "[ . 1 . 2]" 1
164 1 54 GLU H 1 55 LEU H . . 3.120 2.696 2.496 2.843 . 0 0 "[ . 1 . 2]" 1
165 1 57 ASN H 1 58 ILE H . . 3.160 2.608 2.509 2.716 . 0 0 "[ . 1 . 2]" 1
166 1 60 ASN H 1 61 LEU H . . 3.080 2.663 2.561 2.916 . 0 0 "[ . 1 . 2]" 1
167 1 64 LYS H 1 65 GLN H . . 3.480 2.532 2.443 2.622 . 0 0 "[ . 1 . 2]" 1
168 1 66 VAL H 1 67 LYS H . . 3.160 2.578 2.498 2.665 . 0 0 "[ . 1 . 2]" 1
169 1 69 TRP H 1 70 PHE H . . 3.230 2.697 2.553 2.864 . 0 0 "[ . 1 . 2]" 1
170 1 70 PHE H 1 71 GLN H . . 3.370 2.763 2.554 2.851 . 0 0 "[ . 1 . 2]" 1
171 1 72 ASN H 1 73 GLN H . . 3.340 2.598 2.467 2.715 . 0 0 "[ . 1 . 2]" 1
172 1 75 MET H 1 76 LYS H . . 2.690 2.614 2.525 2.736 0.046 5 0 "[ . 1 . 2]" 1
173 1 77 SER H 1 78 LYS H . . 3.840 2.594 2.430 2.933 . 0 0 "[ . 1 . 2]" 1
174 1 78 LYS H 1 79 ARG H . . 3.700 2.476 2.159 2.971 . 0 0 "[ . 1 . 2]" 1
175 1 81 GLN H 1 82 LYS H . . 4.880 3.805 1.847 4.635 . 0 0 "[ . 1 . 2]" 1
176 1 83 ASN H 1 84 ASN H . . 4.740 3.546 2.035 4.613 . 0 0 "[ . 1 . 2]" 1
177 1 50 GLN HA 1 54 GLU H . . 5.280 4.168 3.818 4.440 . 0 0 "[ . 1 . 2]" 1
178 1 29 PHE H 1 29 PHE HB2 . . 3.520 2.425 2.346 2.564 . 0 0 "[ . 1 . 2]" 1
179 1 29 PHE H 1 29 PHE HB3 . . 3.520 3.623 3.577 3.696 0.176 20 0 "[ . 1 . 2]" 1
180 1 30 SER H 1 33 GLN H . . 4.270 3.985 3.751 4.226 . 0 0 "[ . 1 . 2]" 1
181 1 30 SER HB2 1 33 GLN H . . 4.960 3.393 2.222 4.609 . 0 0 "[ . 1 . 2]" 1
182 1 30 SER H 1 34 LEU H . . 4.340 4.399 4.265 4.464 0.124 9 0 "[ . 1 . 2]" 1
183 1 31 SER HA 1 34 LEU H . . 4.240 3.511 3.149 3.783 . 0 0 "[ . 1 . 2]" 1
184 1 32 THR HA 1 35 CYS H . . 3.730 3.661 3.384 3.796 0.066 15 0 "[ . 1 . 2]" 1
185 1 32 THR HA 1 36 VAL H . . 5.320 4.250 3.844 4.600 . 0 0 "[ . 1 . 2]" 1
186 1 34 LEU HA 1 37 LEU H . . 3.910 3.558 3.291 3.836 . 0 0 "[ . 1 . 2]" 1
187 1 38 ASN H 1 39 ASP HA . . 5.170 5.219 5.146 5.279 0.109 20 0 "[ . 1 . 2]" 1
188 1 35 CYS HA 1 38 ASN H . . 4.200 3.514 3.276 3.806 . 0 0 "[ . 1 . 2]" 1
189 1 34 LEU HA 1 38 ASN H . . 4.060 3.996 3.696 4.103 0.043 19 0 "[ . 1 . 2]" 1
190 1 39 ASP H 1 41 PHE H . . 4.310 4.228 3.976 4.343 0.033 17 0 "[ . 1 . 2]" 1
191 1 38 ASN HA 1 40 ARG H . . 5.100 4.487 4.168 4.744 . 0 0 "[ . 1 . 2]" 1
192 1 42 GLN H 1 44 GLN H . . 4.020 3.925 3.516 4.108 0.088 15 0 "[ . 1 . 2]" 1
193 1 40 ARG H 1 42 GLN H . . 3.880 3.904 3.803 4.021 0.141 17 0 "[ . 1 . 2]" 1
194 1 39 ASP HA 1 42 GLN H . . 4.450 3.498 2.958 4.319 . 0 0 "[ . 1 . 2]" 1
195 1 41 PHE H 1 43 ARG H . . 4.340 4.155 3.925 4.375 0.035 16 0 "[ . 1 . 2]" 1
196 1 40 ARG HA 1 43 ARG H . . 4.600 3.410 2.924 3.863 . 0 0 "[ . 1 . 2]" 1
197 1 41 PHE HA 1 44 GLN H . . 4.060 3.589 3.200 4.141 0.081 8 0 "[ . 1 . 2]" 1
198 1 44 GLN HB2 1 46 TYR H . . 4.920 4.251 3.236 4.986 0.066 2 0 "[ . 1 . 2]" 1
199 1 44 GLN HB3 1 46 TYR H . . 4.920 3.272 2.477 4.952 0.032 18 0 "[ . 1 . 2]" 1
200 1 48 SER H 1 51 GLN HB2 . . 3.620 2.047 1.796 2.878 . 0 0 "[ . 1 . 2]" 1
201 1 48 SER H 1 51 GLN HB3 . . 3.620 3.286 1.841 3.639 0.019 10 0 "[ . 1 . 2]" 1
202 1 48 SER HA 1 50 GLN H . . 4.420 4.468 4.401 4.532 0.112 20 0 "[ . 1 . 2]" 1
203 1 48 SER HA 1 51 GLN H . . 4.560 4.469 4.357 4.586 0.026 5 0 "[ . 1 . 2]" 1
204 1 51 GLN H 1 53 GLN H . . 4.780 4.223 4.094 4.424 . 0 0 "[ . 1 . 2]" 1
205 1 53 GLN H 1 55 LEU H . . 5.350 4.128 3.894 4.315 . 0 0 "[ . 1 . 2]" 1
206 1 52 MET HA 1 55 LEU H . . 3.660 3.498 3.223 3.721 0.061 11 0 "[ . 1 . 2]" 1
207 1 56 SER H 1 63 TYR HA . . 5.420 4.680 4.264 4.939 . 0 0 "[ . 1 . 2]" 1
208 1 58 ILE H 1 59 LEU HA . . 5.140 5.198 5.126 5.244 0.104 18 0 "[ . 1 . 2]" 1
209 1 55 LEU HA 1 58 ILE H . . 3.590 3.347 3.026 3.601 0.011 14 0 "[ . 1 . 2]" 1
210 1 58 ILE HB 1 60 ASN H . . 5.420 4.644 4.473 4.756 . 0 0 "[ . 1 . 2]" 1
211 1 62 SER H 1 65 GLN HB2 . . 3.980 2.645 2.471 3.031 . 0 0 "[ . 1 . 2]" 1
212 1 62 SER H 1 65 GLN HB3 . . 3.980 3.907 2.766 4.031 0.051 18 0 "[ . 1 . 2]" 1
213 1 61 LEU HB2 1 62 SER H . . 3.840 3.409 3.166 3.863 0.023 6 0 "[ . 1 . 2]" 1
214 1 63 TYR H 1 63 TYR HB3 . . 3.660 2.341 2.225 2.413 . 0 0 "[ . 1 . 2]" 1
215 1 62 SER HA 1 64 LYS H . . 4.700 3.954 3.764 4.217 . 0 0 "[ . 1 . 2]" 1
216 1 68 THR HA 1 72 ASN H . . 4.420 4.069 3.788 4.443 0.023 20 0 "[ . 1 . 2]" 1
217 1 62 SER H 1 65 GLN H . . 3.950 3.933 3.769 4.052 0.102 14 0 "[ . 1 . 2]" 1
218 1 63 TYR H 1 65 GLN H . . 4.420 4.116 4.041 4.249 . 0 0 "[ . 1 . 2]" 1
219 1 63 TYR H 1 66 VAL H . . 4.600 4.707 4.636 4.781 0.181 10 0 "[ . 1 . 2]" 1
220 1 64 LYS H 1 66 VAL H . . 3.980 4.058 4.025 4.091 0.111 15 0 "[ . 1 . 2]" 1
221 1 64 LYS HA 1 66 VAL H . . 4.780 4.491 4.273 4.673 . 0 0 "[ . 1 . 2]" 1
222 1 65 GLN H 1 67 LYS H . . 4.380 4.068 3.925 4.191 . 0 0 "[ . 1 . 2]" 1
223 1 64 LYS HA 1 67 LYS H . . 4.090 3.618 3.260 3.934 . 0 0 "[ . 1 . 2]" 1
224 1 68 THR H 1 71 GLN H . . 4.700 4.713 4.580 4.847 0.147 14 0 "[ . 1 . 2]" 1
225 1 64 LYS HA 1 68 THR H . . 4.310 3.849 3.558 4.175 . 0 0 "[ . 1 . 2]" 1
226 1 66 VAL HA 1 69 TRP H . . 3.840 3.581 3.204 3.851 0.011 11 0 "[ . 1 . 2]" 1
227 1 67 LYS HA 1 70 PHE H . . 4.420 3.725 3.461 3.975 . 0 0 "[ . 1 . 2]" 1
228 1 72 ASN H 1 75 MET H . . 4.340 4.532 4.474 4.611 0.271 7 0 "[ . 1 . 2]" 1
229 1 73 GLN HA 1 76 LYS H . . 4.310 3.638 3.262 4.145 . 0 0 "[ . 1 . 2]" 1
230 1 44 GLN HA 1 45 LYS H . . 3.080 2.392 2.201 2.681 . 0 0 "[ . 1 . 2]" 1
231 1 34 LEU HG 1 35 CYS H . . 5.390 4.409 4.268 4.514 . 0 0 "[ . 1 . 2]" 1
232 1 37 LEU HG 1 38 ASN H . . 4.490 4.305 4.156 4.449 . 0 0 "[ . 1 . 2]" 1
233 1 45 LYS HD2 1 46 TYR H . . 5.680 4.895 3.651 5.680 0.000 5 0 "[ . 1 . 2]" 1
234 1 45 LYS HD3 1 46 TYR H . . 5.680 5.043 2.128 5.675 . 0 0 "[ . 1 . 2]" 1
235 1 47 LEU HG 1 48 SER H . . 4.960 4.797 3.736 5.076 0.116 11 0 "[ . 1 . 2]" 1
236 1 52 MET H 1 63 TYR HE1 . . 6.000 4.982 4.570 5.399 . 0 0 "[ . 1 . 2]" 1
237 1 52 MET HG2 1 53 GLN H . . 4.380 2.687 2.561 2.829 . 0 0 "[ . 1 . 2]" 1
238 1 52 MET HG3 1 53 GLN H . . 4.380 2.368 2.203 2.605 . 0 0 "[ . 1 . 2]" 1
239 1 53 GLN HG2 1 54 GLU H . . 3.730 2.777 2.535 3.133 . 0 0 "[ . 1 . 2]" 1
240 1 76 LYS HG2 1 77 SER H . . 6.000 4.242 2.645 5.213 . 0 0 "[ . 1 . 2]" 1
241 1 76 LYS HG3 1 77 SER H . . 6.000 4.263 2.659 5.341 . 0 0 "[ . 1 . 2]" 1
242 1 29 PHE H 1 29 PHE HE2 . . 6.000 5.753 4.661 6.832 0.832 3 2 "[ + . 1 . - 2]" 1
243 1 34 LEU H 1 34 LEU HG . . 3.160 2.301 2.179 2.496 . 0 0 "[ . 1 . 2]" 1
244 1 37 LEU H 1 37 LEU HG . . 2.900 2.280 2.176 2.438 . 0 0 "[ . 1 . 2]" 1
245 1 40 ARG H 1 40 ARG HD2 . . 3.950 3.058 2.020 4.028 0.078 13 0 "[ . 1 . 2]" 1
246 1 40 ARG H 1 40 ARG HD3 . . 3.950 3.286 2.239 4.185 0.235 19 0 "[ . 1 . 2]" 1
247 1 41 PHE H 1 41 PHE HD1 . . 5.960 4.132 3.935 4.279 . 0 0 "[ . 1 . 2]" 1
248 1 43 ARG H 1 43 ARG HG2 . . 3.620 2.415 1.908 3.699 0.079 17 0 "[ . 1 . 2]" 1
249 1 43 ARG H 1 43 ARG HG3 . . 3.620 3.352 2.326 3.692 0.072 19 0 "[ . 1 . 2]" 1
250 1 43 ARG H 1 43 ARG HD2 . . 6.000 4.326 2.857 5.180 . 0 0 "[ . 1 . 2]" 1
251 1 45 LYS H 1 45 LYS HG3 . . 4.490 2.886 2.059 4.507 0.017 8 0 "[ . 1 . 2]" 1
252 1 45 LYS H 1 45 LYS HD2 . . 4.740 3.973 2.184 4.776 0.036 5 0 "[ . 1 . 2]" 1
253 1 45 LYS H 1 45 LYS HD3 . . 4.740 4.231 1.816 4.794 0.054 10 0 "[ . 1 . 2]" 1
254 1 51 GLN H 1 51 GLN HG2 . . 4.270 3.677 3.183 4.386 0.116 6 0 "[ . 1 . 2]" 1
255 1 51 GLN H 1 51 GLN HG3 . . 4.270 2.596 2.176 4.413 0.143 6 0 "[ . 1 . 2]" 1
256 1 52 MET H 1 52 MET HG2 . . 3.620 2.085 1.980 2.175 . 0 0 "[ . 1 . 2]" 1
257 1 52 MET H 1 52 MET HG3 . . 3.620 3.292 3.174 3.396 . 0 0 "[ . 1 . 2]" 1
258 1 53 GLN H 1 63 TYR HD1 . . 5.140 3.565 2.922 4.064 . 0 0 "[ . 1 . 2]" 1
259 1 53 GLN HG3 1 54 GLU H . . 3.730 2.411 2.148 2.701 . 0 0 "[ . 1 . 2]" 1
260 1 58 ILE H 1 58 ILE HG12 . . 3.050 3.087 1.862 3.207 0.157 11 0 "[ . 1 . 2]" 1
261 1 58 ILE H 1 58 ILE HG13 . . 3.050 2.094 1.885 3.297 0.247 18 0 "[ . 1 . 2]" 1
262 1 63 TYR HE2 1 64 LYS H . . 6.000 5.643 5.276 6.016 0.016 11 0 "[ . 1 . 2]" 1
263 1 75 MET H 1 75 MET HG2 . . 3.910 2.960 2.129 3.827 . 0 0 "[ . 1 . 2]" 1
264 1 75 MET H 1 75 MET HG3 . . 3.910 2.936 2.031 3.928 0.018 14 0 "[ . 1 . 2]" 1
265 1 76 LYS H 1 76 LYS HG2 . . 3.910 2.708 1.949 3.726 . 0 0 "[ . 1 . 2]" 1
266 1 76 LYS H 1 76 LYS HG3 . . 3.910 3.219 2.289 3.846 . 0 0 "[ . 1 . 2]" 1
267 1 33 GLN H 1 34 LEU HG . . 5.100 4.465 4.179 4.836 . 0 0 "[ . 1 . 2]" 1
268 1 47 LEU HB2 1 52 MET H . . 4.850 4.522 3.241 4.914 0.064 1 0 "[ . 1 . 2]" 1
269 1 47 LEU HB3 1 52 MET H . . 4.850 3.510 3.233 4.934 0.084 7 0 "[ . 1 . 2]" 1
270 1 53 GLN H 1 63 TYR HE1 . . 4.600 3.539 3.099 4.297 . 0 0 "[ . 1 . 2]" 1
271 1 56 SER H 1 66 VAL HB . . 4.130 4.197 4.033 4.287 0.157 11 0 "[ . 1 . 2]" 1
272 1 45 LYS H 1 45 LYS HG2 . . 4.490 3.068 1.831 4.648 0.158 8 0 "[ . 1 . 2]" 1
273 1 28 VAL H 1 28 VAL MG1 . . 4.320 3.163 2.710 3.438 . 0 0 "[ . 1 . 2]" 1
274 1 28 VAL H 1 28 VAL MG2 . . 4.320 2.301 2.045 2.471 . 0 0 "[ . 1 . 2]" 1
275 1 32 THR MG 1 33 GLN H . . 5.430 3.723 3.390 3.976 . 0 0 "[ . 1 . 2]" 1
276 1 34 LEU MD1 1 35 CYS H . . 6.190 4.522 4.408 4.756 . 0 0 "[ . 1 . 2]" 1
277 1 36 VAL MG2 1 37 LEU H . . 4.710 3.833 3.749 3.962 . 0 0 "[ . 1 . 2]" 1
278 1 56 SER H 1 66 VAL MG2 . . 5.290 2.876 2.550 3.113 . 0 0 "[ . 1 . 2]" 1
279 1 58 ILE MG 1 59 LEU H . . 4.640 3.580 3.471 3.682 . 0 0 "[ . 1 . 2]" 1
280 1 61 LEU QD 1 62 SER H . . 4.720 3.139 2.196 3.457 . 0 0 "[ . 1 . 2]" 1
281 1 66 VAL MG1 1 67 LYS H . . 5.070 3.431 3.314 3.569 . 0 0 "[ . 1 . 2]" 1
282 1 66 VAL MG2 1 67 LYS H . . 5.070 3.877 3.802 3.963 . 0 0 "[ . 1 . 2]" 1
283 1 68 THR MG 1 69 TRP H . . 4.500 3.538 3.247 3.701 . 0 0 "[ . 1 . 2]" 1
284 1 75 MET ME 1 76 LYS H . . 5.360 4.431 3.452 5.276 . 0 0 "[ . 1 . 2]" 1
285 1 34 LEU H 1 34 LEU MD1 . . 5.360 3.607 3.512 3.634 . 0 0 "[ . 1 . 2]" 1
286 1 34 LEU H 1 34 LEU MD2 . . 5.360 3.343 3.160 3.555 . 0 0 "[ . 1 . 2]" 1
287 1 36 VAL H 1 36 VAL MG2 . . 3.420 2.118 1.988 2.382 . 0 0 "[ . 1 . 2]" 1
288 1 37 LEU H 1 37 LEU QD . . 4.550 3.071 2.993 3.175 . 0 0 "[ . 1 . 2]" 1
289 1 58 ILE H 1 58 ILE MG . . 4.250 3.773 3.742 3.801 . 0 0 "[ . 1 . 2]" 1
290 1 58 ILE H 1 58 ILE MD . . 4.210 3.609 3.267 3.771 . 0 0 "[ . 1 . 2]" 1
291 1 66 VAL H 1 66 VAL MG1 . . 4.180 3.787 3.774 3.803 . 0 0 "[ . 1 . 2]" 1
292 1 66 VAL H 1 66 VAL MG2 . . 4.180 2.214 2.116 2.385 . 0 0 "[ . 1 . 2]" 1
293 1 68 THR H 1 68 THR MG . . 4.170 3.770 3.751 3.783 . 0 0 "[ . 1 . 2]" 1
294 1 32 THR MG 1 36 VAL H . . 5.830 4.624 3.819 5.919 0.089 7 0 "[ . 1 . 2]" 1
295 1 47 LEU H 1 52 MET ME . . 4.930 4.782 4.324 5.414 0.484 7 0 "[ . 1 . 2]" 1
296 1 48 SER H 1 52 MET ME . . 6.370 4.623 4.354 5.111 . 0 0 "[ . 1 . 2]" 1
297 1 49 LEU H 1 52 MET ME . . 5.000 3.795 3.563 4.170 . 0 0 "[ . 1 . 2]" 1
298 1 56 SER H 1 66 VAL MG1 . . 5.290 3.200 3.093 3.370 . 0 0 "[ . 1 . 2]" 1
299 1 37 LEU H 1 59 LEU MD1 . . 7.020 4.777 3.513 6.974 . 0 0 "[ . 1 . 2]" 1
300 1 13 LYS HA 1 14 LYS H . . 3.520 2.861 2.118 3.550 0.030 6 0 "[ . 1 . 2]" 1
301 1 33 GLN HA 1 36 VAL HB . . 4.420 3.049 2.583 3.525 . 0 0 "[ . 1 . 2]" 1
302 1 39 ASP H 1 39 ASP HB3 . . 3.770 2.588 2.207 3.564 . 0 0 "[ . 1 . 2]" 1
303 1 36 VAL HB 1 38 ASN H . . 5.140 5.078 4.952 5.150 0.010 2 0 "[ . 1 . 2]" 1
304 1 30 SER HA 1 33 GLN H . . 4.810 4.668 4.494 4.875 0.065 3 0 "[ . 1 . 2]" 1
305 1 71 GLN H 1 71 GLN HB2 . . 4.200 2.428 2.213 2.558 . 0 0 "[ . 1 . 2]" 1
306 1 68 THR HA 1 71 GLN HB2 . . 4.520 3.071 2.608 3.867 . 0 0 "[ . 1 . 2]" 1
307 1 71 GLN H 1 71 GLN HB3 . . 4.200 3.074 2.555 3.611 . 0 0 "[ . 1 . 2]" 1
308 1 72 ASN H 1 72 ASN HB2 . . 4.200 2.446 2.216 2.692 . 0 0 "[ . 1 . 2]" 1
309 1 72 ASN H 1 72 ASN HB3 . . 4.200 2.927 2.368 3.587 . 0 0 "[ . 1 . 2]" 1
310 1 32 THR H 1 34 LEU HB2 . . 6.000 5.141 4.871 5.465 . 0 0 "[ . 1 . 2]" 1
311 1 38 ASN HB2 1 39 ASP H . . 4.310 3.876 3.749 4.017 . 0 0 "[ . 1 . 2]" 1
312 1 49 LEU HB3 1 50 GLN H . . 4.780 2.901 2.534 3.761 . 0 0 "[ . 1 . 2]" 1
313 1 11 VAL HB 1 12 ALA H . . 4.490 3.674 1.771 4.461 . 0 0 "[ . 1 . 2]" 1
314 1 57 ASN HB2 1 58 ILE H . . 4.270 3.929 2.876 4.109 . 0 0 "[ . 1 . 2]" 1
315 1 60 ASN HB3 1 61 LEU H . . 6.000 4.221 4.055 4.409 . 0 0 "[ . 1 . 2]" 1
316 1 62 SER HB2 1 63 TYR H . . 4.810 3.967 3.881 4.109 . 0 0 "[ . 1 . 2]" 1
317 1 62 SER HB3 1 63 TYR H . . 4.810 4.043 3.909 4.183 . 0 0 "[ . 1 . 2]" 1
318 1 63 TYR HB3 1 64 LYS H . . 4.700 2.794 2.670 2.909 . 0 0 "[ . 1 . 2]" 1
319 1 49 LEU HA 1 51 GLN H . . 4.880 4.292 4.062 4.579 . 0 0 "[ . 1 . 2]" 1
320 1 71 GLN HB2 1 72 ASN H . . 5.100 3.329 2.514 3.961 . 0 0 "[ . 1 . 2]" 1
321 1 71 GLN HB3 1 72 ASN H . . 5.100 3.134 2.447 3.913 . 0 0 "[ . 1 . 2]" 1
322 1 72 ASN HB2 1 73 GLN H . . 4.600 3.378 2.643 4.053 . 0 0 "[ . 1 . 2]" 1
323 1 72 ASN HB3 1 73 GLN H . . 4.600 2.851 2.327 3.622 . 0 0 "[ . 1 . 2]" 1
324 1 73 GLN HB2 1 74 ARG H . . 6.000 3.350 2.406 4.001 . 0 0 "[ . 1 . 2]" 1
325 1 73 GLN HB3 1 74 ARG H . . 6.000 3.168 2.428 3.951 . 0 0 "[ . 1 . 2]" 1
326 1 56 SER HA 1 60 ASN H . . 5.420 4.651 4.422 4.863 . 0 0 "[ . 1 . 2]" 1
327 1 78 LYS H 1 79 ARG QB . . 6.590 4.536 3.841 5.188 . 0 0 "[ . 1 . 2]" 1
328 1 43 ARG H 1 43 ARG HB2 . . 4.060 2.727 2.381 3.696 . 0 0 "[ . 1 . 2]" 1
329 1 61 LEU HA 1 62 SER HB2 . . 4.670 4.543 4.409 4.699 0.029 4 0 "[ . 1 . 2]" 1
330 1 33 GLN HA 1 36 VAL H . . 5.100 3.571 3.215 3.827 . 0 0 "[ . 1 . 2]" 1
331 1 31 SER HA 1 34 LEU HB2 . . 3.980 2.621 2.072 3.072 . 0 0 "[ . 1 . 2]" 1
332 1 35 CYS HA 1 38 ASN HB2 . . 4.670 3.701 3.051 4.374 . 0 0 "[ . 1 . 2]" 1
333 1 35 CYS HA 1 38 ASN HB3 . . 4.670 2.756 2.211 3.298 . 0 0 "[ . 1 . 2]" 1
334 1 55 LEU HA 1 58 ILE HB . . 3.840 2.935 2.476 3.576 . 0 0 "[ . 1 . 2]" 1
335 1 51 GLN HA 1 54 GLU H . . 3.980 3.388 3.087 3.707 . 0 0 "[ . 1 . 2]" 1
336 1 52 MET HA 1 54 GLU H . . 5.170 4.384 4.233 4.569 . 0 0 "[ . 1 . 2]" 1
337 1 52 MET HA 1 55 LEU HB2 . . 4.990 3.256 2.523 4.001 . 0 0 "[ . 1 . 2]" 1
338 1 61 LEU HA 1 62 SER HB3 . . 4.670 4.740 4.714 4.779 0.109 18 0 "[ . 1 . 2]" 1
339 1 63 TYR HA 1 66 VAL HB . . 4.020 2.774 2.578 2.945 . 0 0 "[ . 1 . 2]" 1
340 1 64 LYS HA 1 68 THR HB . . 5.390 5.297 4.978 5.460 0.070 1 0 "[ . 1 . 2]" 1
341 1 64 LYS HA 1 67 LYS HB2 . . 4.810 3.627 2.752 4.311 . 0 0 "[ . 1 . 2]" 1
342 1 64 LYS HA 1 67 LYS HB3 . . 4.810 2.844 2.110 3.391 . 0 0 "[ . 1 . 2]" 1
343 1 68 THR HA 1 71 GLN HB3 . . 4.520 3.506 2.360 4.499 . 0 0 "[ . 1 . 2]" 1
344 1 69 TRP HA 1 72 ASN H . . 5.210 3.535 3.150 4.008 . 0 0 "[ . 1 . 2]" 1
345 1 70 PHE HA 1 73 GLN H . . 5.140 3.653 3.517 3.931 . 0 0 "[ . 1 . 2]" 1
346 1 70 PHE HA 1 73 GLN HB2 . . 4.700 3.467 2.725 4.796 0.096 6 0 "[ . 1 . 2]" 1
347 1 70 PHE HA 1 73 GLN HB3 . . 4.700 3.743 2.484 4.730 0.030 3 0 "[ . 1 . 2]" 1
348 1 9 ASN HA 1 10 SER HA . . 4.740 4.445 4.327 4.852 0.112 14 0 "[ . 1 . 2]" 1
349 1 11 VAL HB 1 12 ALA HA . . 4.990 4.885 4.425 5.353 0.363 20 0 "[ . 1 . 2]" 1
350 1 11 VAL HA 1 12 ALA HA . . 4.520 4.435 4.286 4.757 0.237 20 0 "[ . 1 . 2]" 1
351 1 16 ASP HA 1 17 LYS HA . . 5.060 4.532 4.269 5.169 0.109 14 0 "[ . 1 . 2]" 1
352 1 38 ASN HA 1 41 PHE H . . 5.280 3.516 3.171 3.884 . 0 0 "[ . 1 . 2]" 1
353 1 57 ASN HA 1 60 ASN H . . 4.560 3.758 3.503 4.009 . 0 0 "[ . 1 . 2]" 1
354 1 56 SER HA 1 60 ASN HA . . 5.710 5.607 5.175 5.763 0.053 20 0 "[ . 1 . 2]" 1
355 1 57 ASN HA 1 60 ASN HA . . 4.090 3.770 3.286 4.119 0.029 9 0 "[ . 1 . 2]" 1
356 1 72 ASN HA 1 75 MET H . . 4.880 3.273 3.071 3.554 . 0 0 "[ . 1 . 2]" 1
357 1 56 SER HA 1 58 ILE H . . 4.240 4.306 4.128 4.398 0.158 11 0 "[ . 1 . 2]" 1
358 1 49 LEU H 1 50 GLN HB2 . . 5.960 4.739 4.264 5.044 . 0 0 "[ . 1 . 2]" 1
359 1 47 LEU HA 1 52 MET H . . 5.390 5.174 4.717 5.448 0.058 18 0 "[ . 1 . 2]" 1
360 1 28 VAL H 1 29 PHE HA . . 5.170 4.806 4.558 5.117 . 0 0 "[ . 1 . 2]" 1
361 1 31 SER HA 1 34 LEU HB3 . . 4.700 4.234 3.691 4.713 0.013 12 0 "[ . 1 . 2]" 1
362 1 49 LEU H 1 50 GLN HB3 . . 5.960 5.316 4.698 6.032 0.072 9 0 "[ . 1 . 2]" 1
363 1 52 MET HA 1 66 VAL HA . . 6.000 6.015 5.785 6.098 0.098 13 0 "[ . 1 . 2]" 1
364 1 52 MET HA 1 67 LYS HA . . 5.570 5.527 5.131 5.635 0.065 1 0 "[ . 1 . 2]" 1
365 1 52 MET HA 1 55 LEU HB3 . . 4.990 3.212 2.619 4.227 . 0 0 "[ . 1 . 2]" 1
366 1 52 MET HA 1 63 TYR HA . . 6.000 6.005 5.727 6.105 0.105 5 0 "[ . 1 . 2]" 1
367 1 56 SER HA 1 66 VAL HA . . 5.570 5.641 5.540 5.729 0.159 20 0 "[ . 1 . 2]" 1
368 1 17 LYS HB2 1 19 PRO HD2 . . 7.780 6.209 4.661 7.692 . 0 0 "[ . 1 . 2]" 1
369 1 14 LYS HA 1 15 GLU HG2 . . 6.000 4.876 3.574 5.862 . 0 0 "[ . 1 . 2]" 1
370 1 14 LYS HA 1 15 GLU HG3 . . 6.000 4.956 3.245 6.057 0.057 17 0 "[ . 1 . 2]" 1
371 1 34 LEU HB2 1 34 LEU HG . . 2.830 2.474 2.456 2.504 . 0 0 "[ . 1 . 2]" 1
372 1 40 ARG HA 1 40 ARG HG2 . . 4.060 3.575 3.203 4.093 0.033 11 0 "[ . 1 . 2]" 1
373 1 40 ARG HA 1 40 ARG HG3 . . 4.060 2.789 2.279 3.770 . 0 0 "[ . 1 . 2]" 1
374 1 40 ARG HA 1 40 ARG HD2 . . 4.490 2.514 1.788 4.154 . 0 0 "[ . 1 . 2]" 1
375 1 43 ARG HA 1 43 ARG HG2 . . 3.910 3.131 2.435 3.693 . 0 0 "[ . 1 . 2]" 1
376 1 43 ARG HA 1 43 ARG HG3 . . 3.910 3.706 3.168 3.893 . 0 0 "[ . 1 . 2]" 1
377 1 43 ARG H 1 43 ARG HD3 . . 6.000 3.908 2.834 5.210 . 0 0 "[ . 1 . 2]" 1
378 1 51 GLN HA 1 51 GLN HG3 . . 3.260 2.929 2.435 3.359 0.099 10 0 "[ . 1 . 2]" 1
379 1 51 GLN HA 1 51 GLN HG2 . . 3.260 2.524 2.273 3.260 0.000 6 0 "[ . 1 . 2]" 1
380 1 55 LEU HA 1 55 LEU HG . . 4.090 3.328 2.933 3.707 . 0 0 "[ . 1 . 2]" 1
381 1 58 ILE HA 1 58 ILE HG13 . . 4.060 3.217 3.137 3.759 . 0 0 "[ . 1 . 2]" 1
382 1 51 GLN HG2 1 52 MET H . . 5.530 5.024 3.909 5.273 . 0 0 "[ . 1 . 2]" 1
383 1 51 GLN HG3 1 52 MET H . . 5.530 4.531 4.169 4.713 . 0 0 "[ . 1 . 2]" 1
384 1 75 MET HG2 1 76 LYS H . . 6.000 3.906 2.709 5.115 . 0 0 "[ . 1 . 2]" 1
385 1 75 MET HG3 1 76 LYS H . . 6.000 3.369 1.822 4.912 . 0 0 "[ . 1 . 2]" 1
386 1 29 PHE HB2 1 34 LEU HG . . 5.780 2.774 1.793 4.751 . 0 0 "[ . 1 . 2]" 1
387 1 29 PHE HB3 1 34 LEU HG . . 5.780 3.026 2.219 3.965 . 0 0 "[ . 1 . 2]" 1
388 1 35 CYS HB2 1 38 ASN HB2 . . 7.760 6.281 5.703 6.946 . 0 0 "[ . 1 . 2]" 1
389 1 35 CYS HB2 1 38 ASN HB3 . . 7.760 5.286 4.446 5.885 . 0 0 "[ . 1 . 2]" 1
390 1 47 LEU HB2 1 52 MET HB3 . . 7.760 3.528 3.135 3.960 . 0 0 "[ . 1 . 2]" 1
391 1 53 GLN HA 1 63 TYR HB2 . . 5.280 3.280 2.768 3.632 . 0 0 "[ . 1 . 2]" 1
392 1 53 GLN HA 1 63 TYR HB3 . . 5.280 4.948 4.483 5.333 0.053 9 0 "[ . 1 . 2]" 1
393 1 40 ARG HA 1 40 ARG HD3 . . 4.490 3.439 2.217 4.547 0.057 11 0 "[ . 1 . 2]" 1
394 1 58 ILE HA 1 58 ILE HG12 . . 4.060 2.561 2.457 2.934 . 0 0 "[ . 1 . 2]" 1
395 1 63 TYR HD2 1 64 LYS HA . . 4.990 3.549 3.187 3.877 . 0 0 "[ . 1 . 2]" 1
396 1 69 TRP HE3 1 70 PHE HA . . 4.340 3.252 2.663 4.360 0.020 20 0 "[ . 1 . 2]" 1
397 1 17 LYS HB3 1 19 PRO HD2 . . 7.780 6.052 4.392 7.288 . 0 0 "[ . 1 . 2]" 1
398 1 47 LEU HG 1 52 MET HA . . 6.000 5.270 3.787 5.822 . 0 0 "[ . 1 . 2]" 1
399 1 56 SER HA 1 59 LEU HG . . 6.000 5.143 4.250 5.886 . 0 0 "[ . 1 . 2]" 1
400 1 33 GLN HG2 1 59 LEU HG . . 6.000 4.278 2.824 6.013 0.013 4 0 "[ . 1 . 2]" 1
401 1 33 GLN HG3 1 59 LEU HG . . 6.000 5.489 2.975 6.089 0.089 15 0 "[ . 1 . 2]" 1
402 1 47 LEU HB2 1 52 MET HB2 . . 7.760 5.005 4.544 5.472 . 0 0 "[ . 1 . 2]" 1
403 1 52 MET HA 1 66 VAL HB . . 4.810 4.363 4.220 4.482 . 0 0 "[ . 1 . 2]" 1
404 1 12 ALA MB 1 13 LYS HA . . 7.020 4.277 3.695 5.009 . 0 0 "[ . 1 . 2]" 1
405 1 27 THR HA 1 27 THR MG . . 3.670 2.239 2.143 2.290 . 0 0 "[ . 1 . 2]" 1
406 1 33 GLN HA 1 59 LEU MD1 . . 5.690 2.908 2.101 4.291 . 0 0 "[ . 1 . 2]" 1
407 1 33 GLN HA 1 36 VAL MG2 . . 5.000 3.177 2.561 3.691 . 0 0 "[ . 1 . 2]" 1
408 1 55 LEU HA 1 58 ILE MD . . 4.460 2.665 1.976 4.079 . 0 0 "[ . 1 . 2]" 1
409 1 34 LEU MD2 1 35 CYS H . . 6.190 4.664 4.630 4.695 . 0 0 "[ . 1 . 2]" 1
410 1 36 VAL MG1 1 37 LEU H . . 7.020 3.411 3.171 3.600 . 0 0 "[ . 1 . 2]" 1
411 1 35 CYS H 1 36 VAL MG2 . . 5.470 4.166 3.891 4.361 . 0 0 "[ . 1 . 2]" 1
412 1 49 LEU MD1 1 50 GLN H . . 7.020 4.099 3.300 4.689 . 0 0 "[ . 1 . 2]" 1
413 1 49 LEU MD2 1 50 GLN H . . 7.020 4.439 3.862 4.862 . 0 0 "[ . 1 . 2]" 1
414 1 58 ILE MD 1 59 LEU H . . 6.120 4.581 4.200 4.833 . 0 0 "[ . 1 . 2]" 1
415 1 33 GLN HA 1 59 LEU MD2 . . 5.690 3.092 1.786 4.486 . 0 0 "[ . 1 . 2]" 1
416 1 33 GLN HB2 1 59 LEU MD1 . . 8.780 4.085 3.130 5.506 . 0 0 "[ . 1 . 2]" 1
417 1 36 VAL MG1 1 37 LEU HA . . 4.750 3.461 3.218 3.664 . 0 0 "[ . 1 . 2]" 1
418 1 37 LEU QD 1 66 VAL HA . . 5.400 4.795 3.994 5.317 . 0 0 "[ . 1 . 2]" 1
419 1 37 LEU QD 1 59 LEU MD1 . . 8.720 3.336 1.961 5.390 . 0 0 "[ . 1 . 2]" 1
420 1 47 LEU MD1 1 55 LEU MD2 . . 9.720 3.382 1.976 5.795 . 0 0 "[ . 1 . 2]" 1
421 1 41 PHE HD1 1 47 LEU MD2 . . 7.020 4.551 3.085 6.171 . 0 0 "[ . 1 . 2]" 1
422 1 47 LEU MD2 1 52 MET HA . . 5.580 3.709 2.340 4.870 . 0 0 "[ . 1 . 2]" 1
423 1 47 LEU MD2 1 51 GLN HB3 . . 7.950 2.851 1.787 4.643 . 0 0 "[ . 1 . 2]" 1
424 1 47 LEU MD2 1 51 GLN HB2 . . 7.950 3.565 2.748 4.808 . 0 0 "[ . 1 . 2]" 1
425 1 47 LEU MD1 1 52 MET HA . . 5.580 3.509 2.543 5.426 . 0 0 "[ . 1 . 2]" 1
426 1 52 MET HA 1 52 MET ME . . 5.360 4.103 4.033 4.204 . 0 0 "[ . 1 . 2]" 1
427 1 47 LEU HA 1 52 MET ME . . 6.050 5.092 4.575 5.604 . 0 0 "[ . 1 . 2]" 1
428 1 52 MET ME 1 67 LYS H . . 7.020 5.385 4.973 5.639 . 0 0 "[ . 1 . 2]" 1
429 1 47 LEU MD1 1 52 MET ME . . 7.500 4.147 2.102 5.340 . 0 0 "[ . 1 . 2]" 1
430 1 47 LEU HB3 1 52 MET ME . . 4.570 3.812 2.897 5.395 0.825 7 2 "[ . + -1 . 2]" 1
431 1 47 LEU HG 1 52 MET ME . . 5.290 5.337 4.362 5.960 0.670 18 1 "[ . 1 . + 2]" 1
432 1 55 LEU HA 1 58 ILE MG . . 5.290 4.223 3.837 4.582 . 0 0 "[ . 1 . 2]" 1
433 1 58 ILE MG 1 59 LEU HA . . 5.220 3.527 3.414 3.625 . 0 0 "[ . 1 . 2]" 1
434 1 59 LEU HB3 1 61 LEU QD . . 8.920 2.783 1.944 4.113 . 0 0 "[ . 1 . 2]" 1
435 1 37 LEU H 1 59 LEU MD2 . . 7.020 4.955 4.169 6.102 . 0 0 "[ . 1 . 2]" 1
436 1 59 LEU HB2 1 61 LEU QD . . 8.920 2.917 2.418 4.538 . 0 0 "[ . 1 . 2]" 1
437 1 61 LEU QD 1 66 VAL HA . . 5.430 4.190 3.120 4.760 . 0 0 "[ . 1 . 2]" 1
438 1 72 ASN HA 1 75 MET ME . . 3.850 2.514 1.877 4.475 0.625 14 1 "[ . 1 +. 2]" 1
439 1 72 ASN HB2 1 75 MET ME . . 6.300 4.113 3.210 6.872 0.572 14 1 "[ . 1 +. 2]" 1
440 1 75 MET HA 1 75 MET ME . . 5.510 4.470 2.890 5.420 . 0 0 "[ . 1 . 2]" 1
441 1 75 MET H 1 75 MET ME . . 7.020 3.902 3.465 4.724 . 0 0 "[ . 1 . 2]" 1
442 1 32 THR MG 1 36 VAL MG2 . . 5.270 3.135 2.237 4.841 . 0 0 "[ . 1 . 2]" 1
443 1 29 PHE HB3 1 34 LEU MD2 . . 8.340 3.119 2.367 3.958 . 0 0 "[ . 1 . 2]" 1
444 1 29 PHE HB2 1 34 LEU MD2 . . 8.340 2.283 1.955 4.224 . 0 0 "[ . 1 . 2]" 1
445 1 47 LEU MD2 1 55 LEU MD1 . . 9.720 4.204 3.374 5.636 . 0 0 "[ . 1 . 2]" 1
446 1 47 LEU HB2 1 52 MET ME . . 4.570 3.467 2.701 4.179 . 0 0 "[ . 1 . 2]" 1
447 1 72 ASN HB3 1 75 MET ME . . 6.300 4.394 2.413 6.693 0.393 8 0 "[ . 1 . 2]" 1
448 1 37 LEU QD 1 55 LEU MD1 . . 10.550 2.800 2.009 3.860 . 0 0 "[ . 1 . 2]" 1
449 1 37 LEU QD 1 61 LEU QD . . 8.590 3.783 2.961 4.527 . 0 0 "[ . 1 . 2]" 1
450 1 37 LEU QD 1 59 LEU MD2 . . 8.720 3.764 2.228 4.700 . 0 0 "[ . 1 . 2]" 1
451 1 33 GLN HB2 1 59 LEU MD2 . . 8.780 4.681 3.772 6.767 . 0 0 "[ . 1 . 2]" 1
452 1 49 LEU HA 1 52 MET ME . . 4.210 2.340 2.119 2.703 . 0 0 "[ . 1 . 2]" 1
453 1 52 MET ME 1 70 PHE HA . . 7.020 5.831 5.320 7.097 0.077 14 0 "[ . 1 . 2]" 1
454 1 59 LEU MD2 1 66 VAL MG1 . . 10.800 5.693 4.379 6.728 . 0 0 "[ . 1 . 2]" 1
455 1 59 LEU MD2 1 66 VAL MG2 . . 10.800 4.896 3.267 5.907 . 0 0 "[ . 1 . 2]" 1
456 1 47 LEU MD2 1 52 MET ME . . 7.500 4.746 4.030 5.367 . 0 0 "[ . 1 . 2]" 1
457 1 29 PHE HA 1 34 LEU MD1 . . 7.020 4.935 4.424 5.317 . 0 0 "[ . 1 . 2]" 1
458 1 29 PHE HA 1 34 LEU MD2 . . 7.020 4.572 4.213 5.191 . 0 0 "[ . 1 . 2]" 1
459 1 49 LEU MD1 1 67 LYS HG3 . . 7.850 5.505 3.219 7.366 . 0 0 "[ . 1 . 2]" 1
460 1 49 LEU MD2 1 67 LYS HG3 . . 7.850 5.456 3.886 7.167 . 0 0 "[ . 1 . 2]" 1
461 1 37 LEU HB3 1 55 LEU MD2 . . 7.910 5.307 4.226 7.465 . 0 0 "[ . 1 . 2]" 1
462 1 37 LEU HB3 1 55 LEU MD1 . . 7.910 5.611 4.636 6.592 . 0 0 "[ . 1 . 2]" 1
463 1 46 TYR H 1 46 TYR HD2 . . 4.160 3.997 3.762 4.202 0.042 13 0 "[ . 1 . 2]" 1
464 1 41 PHE HE1 1 46 TYR HD1 . . 3.590 2.785 1.951 3.391 . 0 0 "[ . 1 . 2]" 1
465 1 46 TYR HA 1 46 TYR HD1 . . 4.200 2.411 2.096 2.627 . 0 0 "[ . 1 . 2]" 1
466 1 63 TYR HD2 1 64 LYS H . . 4.810 3.468 3.142 3.846 . 0 0 "[ . 1 . 2]" 1
467 1 63 TYR HA 1 63 TYR HD1 . . 3.520 2.907 2.757 3.101 . 0 0 "[ . 1 . 2]" 1
468 1 53 GLN HA 1 63 TYR HD1 . . 3.480 2.216 1.795 2.778 . 0 0 "[ . 1 . 2]" 1
469 1 41 PHE H 1 41 PHE HE1 . . 5.680 5.686 5.470 5.762 0.082 15 0 "[ . 1 . 2]" 1
470 1 41 PHE HA 1 41 PHE HE1 . . 4.020 4.187 4.106 4.264 0.244 13 0 "[ . 1 . 2]" 1
471 1 41 PHE HD1 1 46 TYR HD1 . . 4.020 3.952 3.114 4.154 0.134 13 0 "[ . 1 . 2]" 1
472 1 29 PHE QD 1 33 GLN H . . 6.000 5.824 5.352 5.979 . 0 0 "[ . 1 . 2]" 1
473 1 80 TRP HA 1 80 TRP HD1 . . 4.700 3.725 2.528 4.403 . 0 0 "[ . 1 . 2]" 1
474 1 80 TRP HD1 1 81 GLN H . . 5.500 4.293 3.222 5.612 0.112 5 0 "[ . 1 . 2]" 1
475 1 69 TRP HA 1 69 TRP HD1 . . 4.520 3.083 2.551 3.606 . 0 0 "[ . 1 . 2]" 1
476 1 69 TRP HE3 1 70 PHE H . . 6.000 3.450 2.793 4.801 . 0 0 "[ . 1 . 2]" 1
477 1 49 LEU HA 1 63 TYR HE1 . . 4.740 4.115 3.092 4.793 0.053 11 0 "[ . 1 . 2]" 1
478 1 41 PHE HD1 1 46 TYR HE1 . . 6.000 5.324 4.049 5.891 . 0 0 "[ . 1 . 2]" 1
479 1 41 PHE HE1 1 46 TYR HE1 . . 5.280 4.723 3.629 5.305 0.025 11 0 "[ . 1 . 2]" 1
480 1 41 PHE HD1 1 47 LEU MD1 . . 7.020 4.839 3.046 6.439 . 0 0 "[ . 1 . 2]" 1
481 1 1 SER QB 1 49 LEU H . . 6.480 7.023 5.493 7.489 1.009 7 15 "[ -*** +*** ***.* ***]" 1
482 1 1 SER QB 1 53 GLN H . . 6.880 6.943 5.445 7.889 1.009 16 8 "[* * * * - .+** 2]" 1
483 1 2 LYS HA 1 3 GLN QG . . 6.880 4.620 3.586 6.094 . 0 0 "[ . 1 . 2]" 1
484 1 2 LYS QG 1 3 GLN H . . 6.880 3.861 2.612 4.465 . 0 0 "[ . 1 . 2]" 1
485 1 4 PRO QB 1 55 LEU QD . . 7.790 4.534 1.979 7.110 . 0 0 "[ . 1 . 2]" 1
486 1 4 PRO QG 1 5 THR HA . . 5.160 5.178 4.024 6.050 0.890 16 7 "[- **. 1* *+ *]" 1
487 1 4 PRO QG 1 55 LEU QD . . 6.500 4.374 2.649 6.149 . 0 0 "[ . 1 . 2]" 1
488 1 11 VAL QG 1 12 ALA H . . 7.600 2.975 1.818 3.735 . 0 0 "[ . 1 . 2]" 1
489 1 14 LYS HA 1 15 GLU QB . . 6.020 4.664 4.274 5.051 . 0 0 "[ . 1 . 2]" 1
490 1 15 GLU QG 1 37 LEU QD . . 9.050 6.139 3.031 8.216 . 0 0 "[ . 1 . 2]" 1
491 1 17 LYS QB 1 19 PRO QD . . 6.830 3.845 2.781 5.468 . 0 0 "[ . 1 . 2]" 1
492 1 17 LYS HB2 1 19 PRO HD3 . . 7.780 4.707 3.002 6.635 . 0 0 "[ . 1 . 2]" 1
493 1 17 LYS HB3 1 19 PRO HD3 . . 7.780 4.573 2.889 6.792 . 0 0 "[ . 1 . 2]" 1
494 1 18 VAL QG 1 19 PRO QD . . 9.460 3.158 3.001 3.339 . 0 0 "[ . 1 . 2]" 1
495 1 19 PRO QB 1 20 VAL H . . 4.150 3.431 2.078 3.886 . 0 0 "[ . 1 . 2]" 1
496 1 19 PRO QB 1 20 VAL QG . . 8.550 3.622 2.353 4.474 . 0 0 "[ . 1 . 2]" 1
497 1 19 PRO QD 1 20 VAL HB . . 6.890 5.800 4.883 6.926 0.036 4 0 "[ . 1 . 2]" 1
498 1 19 PRO QD 1 20 VAL QG . . 8.450 4.250 3.021 5.416 . 0 0 "[ . 1 . 2]" 1
499 1 20 VAL QG 1 21 LYS H . . 7.490 3.523 3.155 3.783 . 0 0 "[ . 1 . 2]" 1
500 1 21 LYS QD 1 22 LYS H . . 6.880 4.600 3.458 6.129 . 0 0 "[ . 1 . 2]" 1
501 1 27 THR HA 1 28 VAL QG . . 5.830 3.155 3.068 3.242 . 0 0 "[ . 1 . 2]" 1
502 1 27 THR MG 1 28 VAL QG . . 9.080 4.166 3.200 4.397 . 0 0 "[ . 1 . 2]" 1
503 1 28 VAL H 1 28 VAL QG . . 3.970 2.248 2.000 2.416 . 0 0 "[ . 1 . 2]" 1
504 1 28 VAL QG 1 29 PHE H . . 5.510 3.050 2.701 3.275 . 0 0 "[ . 1 . 2]" 1
505 1 29 PHE H 1 29 PHE QB . . 3.190 2.390 2.316 2.517 . 0 0 "[ . 1 . 2]" 1
506 1 29 PHE QB 1 30 SER H . . 3.680 2.521 2.142 3.136 . 0 0 "[ . 1 . 2]" 1
507 1 29 PHE QB 1 34 LEU HG . . 5.240 2.426 1.785 3.231 . 0 0 "[ . 1 . 2]" 1
508 1 29 PHE QB 1 34 LEU QD . . 6.470 2.088 1.922 2.510 . 0 0 "[ . 1 . 2]" 1
509 1 29 PHE HB2 1 34 LEU MD1 . . 8.340 3.197 2.683 3.917 . 0 0 "[ . 1 . 2]" 1
510 1 29 PHE HB3 1 34 LEU MD1 . . 8.340 4.038 2.770 5.055 . 0 0 "[ . 1 . 2]" 1
511 1 29 PHE QD 1 33 GLN QG . . 6.880 4.274 2.653 5.431 . 0 0 "[ . 1 . 2]" 1
512 1 29 PHE QD 1 34 LEU QD . . 6.230 2.820 2.223 3.586 . 0 0 "[ . 1 . 2]" 1
513 1 29 PHE QD 1 37 LEU QD . . 6.990 3.412 1.836 4.456 . 0 0 "[ . 1 . 2]" 1
514 1 29 PHE HE1 1 34 LEU QD . . 6.010 5.195 4.147 5.941 . 0 0 "[ . 1 . 2]" 1
515 1 29 PHE HE1 1 37 LEU QD . . 6.700 4.973 3.543 7.267 0.567 3 1 "[ + . 1 . 2]" 1
516 1 30 SER H 1 30 SER QB . . 3.370 2.432 2.226 2.602 . 0 0 "[ . 1 . 2]" 1
517 1 30 SER H 1 33 GLN QB . . 4.040 2.814 2.374 3.311 . 0 0 "[ . 1 . 2]" 1
518 1 30 SER H 1 33 GLN QG . . 5.220 3.497 2.478 4.372 . 0 0 "[ . 1 . 2]" 1
519 1 30 SER H 1 34 LEU QD . . 6.590 4.312 3.722 4.491 . 0 0 "[ . 1 . 2]" 1
520 1 30 SER QB 1 32 THR H . . 4.940 3.069 2.647 3.550 . 0 0 "[ . 1 . 2]" 1
521 1 30 SER QB 1 33 GLN H . . 4.160 2.590 2.203 2.887 . 0 0 "[ . 1 . 2]" 1
522 1 31 SER HA 1 34 LEU QD . . 6.810 2.562 2.097 3.050 . 0 0 "[ . 1 . 2]" 1
523 1 32 THR HA 1 35 CYS QB . . 4.610 2.963 2.354 4.208 . 0 0 "[ . 1 . 2]" 1
524 1 32 THR MG 1 35 CYS QB . . 7.500 4.085 3.388 5.257 . 0 0 "[ . 1 . 2]" 1
525 1 32 THR MG 1 59 LEU QD . . 8.510 4.018 2.512 5.724 . 0 0 "[ . 1 . 2]" 1
526 1 33 GLN H 1 33 GLN QB . . 3.390 2.437 2.226 2.638 . 0 0 "[ . 1 . 2]" 1
527 1 33 GLN H 1 34 LEU QD . . 6.950 4.759 4.569 4.976 . 0 0 "[ . 1 . 2]" 1
528 1 33 GLN H 1 59 LEU QD . . 7.450 4.126 3.063 4.822 . 0 0 "[ . 1 . 2]" 1
529 1 33 GLN HA 1 59 LEU QD . . 4.670 2.464 1.762 3.672 . 0 0 "[ . 1 . 2]" 1
530 1 33 GLN QB 1 34 LEU H . . 3.590 2.461 2.326 2.634 . 0 0 "[ . 1 . 2]" 1
531 1 33 GLN QB 1 34 LEU QD . . 7.720 3.588 3.375 3.825 . 0 0 "[ . 1 . 2]" 1
532 1 33 GLN QB 1 59 LEU QD . . 6.710 2.646 1.856 3.775 . 0 0 "[ . 1 . 2]" 1
533 1 33 GLN HB3 1 59 LEU MD1 . . 8.780 2.940 1.901 4.772 . 0 0 "[ . 1 . 2]" 1
534 1 33 GLN HB3 1 59 LEU MD2 . . 8.780 3.746 2.297 6.345 . 0 0 "[ . 1 . 2]" 1
535 1 33 GLN QG 1 34 LEU H . . 6.840 3.993 3.677 4.362 . 0 0 "[ . 1 . 2]" 1
536 1 33 GLN QG 1 59 LEU QD . . 7.000 2.038 1.723 3.878 . 0 0 "[ . 1 . 2]" 1
537 1 33 GLN QE 1 34 LEU QD . . 7.380 5.142 4.230 6.184 . 0 0 "[ . 1 . 2]" 1
538 1 33 GLN QE 1 61 LEU QD . . 9.110 2.925 1.780 4.675 . 0 0 "[ . 1 . 2]" 1
539 1 34 LEU H 1 34 LEU QD . . 5.000 3.079 2.971 3.200 . 0 0 "[ . 1 . 2]" 1
540 1 34 LEU HA 1 37 LEU QB . . 5.220 2.756 2.562 2.984 . 0 0 "[ . 1 . 2]" 1
541 1 34 LEU HG 1 37 LEU QD . . 8.320 4.291 3.902 4.612 . 0 0 "[ . 1 . 2]" 1
542 1 34 LEU QD 1 35 CYS H . . 5.780 4.088 4.018 4.208 . 0 0 "[ . 1 . 2]" 1
543 1 34 LEU QD 1 37 LEU QD . . 8.320 2.477 1.911 3.020 . 0 0 "[ . 1 . 2]" 1
544 1 34 LEU QD 1 38 ASN H . . 7.520 4.929 4.617 5.104 . 0 0 "[ . 1 . 2]" 1
545 1 35 CYS H 1 35 CYS QB . . 3.710 2.353 2.235 2.598 . 0 0 "[ . 1 . 2]" 1
546 1 35 CYS H 1 38 ASN QB . . 6.120 4.744 4.447 4.933 . 0 0 "[ . 1 . 2]" 1
547 1 35 CYS HA 1 38 ASN QB . . 4.410 2.680 2.186 3.167 . 0 0 "[ . 1 . 2]" 1
548 1 35 CYS QB 1 36 VAL MG2 . . 5.770 3.248 2.937 4.185 . 0 0 "[ . 1 . 2]" 1
549 1 35 CYS QB 1 38 ASN QB . . 6.160 4.386 3.908 4.933 . 0 0 "[ . 1 . 2]" 1
550 1 35 CYS HB3 1 38 ASN HB2 . . 7.760 6.294 5.407 7.104 . 0 0 "[ . 1 . 2]" 1
551 1 35 CYS HB3 1 38 ASN HB3 . . 7.760 5.167 4.204 6.124 . 0 0 "[ . 1 . 2]" 1
552 1 36 VAL H 1 55 LEU QD . . 7.560 5.476 4.550 6.274 . 0 0 "[ . 1 . 2]" 1
553 1 36 VAL HB 1 59 LEU QD . . 7.600 2.976 2.136 4.598 . 0 0 "[ . 1 . 2]" 1
554 1 36 VAL MG2 1 37 LEU QD . . 9.590 4.731 4.518 4.894 . 0 0 "[ . 1 . 2]" 1
555 1 36 VAL MG2 1 59 LEU QD . . 8.650 2.857 1.956 4.088 . 0 0 "[ . 1 . 2]" 1
556 1 37 LEU H 1 37 LEU QB . . 3.480 2.439 2.374 2.496 . 0 0 "[ . 1 . 2]" 1
557 1 37 LEU H 1 55 LEU QD . . 6.190 4.349 3.462 5.190 . 0 0 "[ . 1 . 2]" 1
558 1 37 LEU H 1 59 LEU QD . . 5.850 4.282 3.338 5.736 . 0 0 "[ . 1 . 2]" 1
559 1 37 LEU QB 1 38 ASN H . . 3.910 2.464 2.357 2.556 . 0 0 "[ . 1 . 2]" 1
560 1 37 LEU QB 1 55 LEU QD . . 6.490 4.341 3.771 5.462 . 0 0 "[ . 1 . 2]" 1
561 1 37 LEU HB2 1 55 LEU MD1 . . 7.910 5.899 4.650 6.767 . 0 0 "[ . 1 . 2]" 1
562 1 37 LEU HB2 1 55 LEU MD2 . . 7.910 5.948 4.968 8.061 0.151 16 0 "[ . 1 . 2]" 1
563 1 37 LEU QB 1 61 LEU QD . . 9.300 6.400 5.389 7.207 . 0 0 "[ . 1 . 2]" 1
564 1 37 LEU QD 1 38 ASN H . . 7.160 4.024 3.973 4.085 . 0 0 "[ . 1 . 2]" 1
565 1 37 LEU QD 1 55 LEU QB . . 8.950 4.051 3.003 4.596 . 0 0 "[ . 1 . 2]" 1
566 1 37 LEU QD 1 55 LEU QD . . 8.860 2.164 1.782 3.281 . 0 0 "[ . 1 . 2]" 1
567 1 37 LEU QD 1 55 LEU MD2 . . 10.550 2.673 1.800 4.847 . 0 0 "[ . 1 . 2]" 1
568 1 37 LEU QD 1 58 ILE MD . . 8.690 6.063 4.788 7.695 . 0 0 "[ . 1 . 2]" 1
569 1 37 LEU QD 1 59 LEU QD . . 7.370 2.820 1.948 3.871 . 0 0 "[ . 1 . 2]" 1
570 1 37 LEU QD 1 66 VAL QG . . 9.470 3.403 2.893 3.882 . 0 0 "[ . 1 . 2]" 1
571 1 38 ASN H 1 38 ASN QB . . 3.070 2.244 2.194 2.286 . 0 0 "[ . 1 . 2]" 1
572 1 38 ASN H 1 38 ASN QD . . 5.710 4.421 4.213 4.615 . 0 0 "[ . 1 . 2]" 1
573 1 38 ASN HA 1 41 PHE QB . . 4.500 2.732 2.188 3.405 . 0 0 "[ . 1 . 2]" 1
574 1 38 ASN QB 1 39 ASP H . . 3.770 2.580 2.382 2.786 . 0 0 "[ . 1 . 2]" 1
575 1 39 ASP H 1 39 ASP QB . . 3.430 2.247 2.185 2.288 . 0 0 "[ . 1 . 2]" 1
576 1 39 ASP H 1 40 ARG QB . . 5.370 4.626 4.332 5.543 0.173 11 0 "[ . 1 . 2]" 1
577 1 39 ASP HA 1 42 GLN QB . . 4.900 2.707 2.099 4.025 . 0 0 "[ . 1 . 2]" 1
578 1 39 ASP HA 1 42 GLN QG . . 5.120 3.844 2.726 5.344 0.224 17 0 "[ . 1 . 2]" 1
579 1 39 ASP QB 1 40 ARG H . . 3.670 2.534 2.357 3.350 . 0 0 "[ . 1 . 2]" 1
580 1 40 ARG H 1 40 ARG QB . . 3.710 2.261 2.077 2.949 . 0 0 "[ . 1 . 2]" 1
581 1 40 ARG H 1 40 ARG QD . . 3.790 2.648 2.012 3.513 . 0 0 "[ . 1 . 2]" 1
582 1 40 ARG H 1 42 GLN QB . . 5.330 4.881 4.522 5.368 0.038 17 0 "[ . 1 . 2]" 1
583 1 40 ARG HA 1 40 ARG QG . . 3.730 2.624 2.255 3.281 . 0 0 "[ . 1 . 2]" 1
584 1 40 ARG HA 1 40 ARG QD . . 3.950 2.408 1.778 3.848 . 0 0 "[ . 1 . 2]" 1
585 1 40 ARG QG 1 41 PHE HE1 . . 6.880 6.586 5.926 7.665 0.785 15 1 "[ . 1 + 2]" 1
586 1 40 ARG QD 1 55 LEU QD . . 9.200 3.373 1.876 5.162 . 0 0 "[ . 1 . 2]" 1
587 1 41 PHE H 1 41 PHE QB . . 3.730 2.285 2.239 2.330 . 0 0 "[ . 1 . 2]" 1
588 1 41 PHE H 1 43 ARG QG . . 6.880 5.080 4.360 6.021 . 0 0 "[ . 1 . 2]" 1
589 1 41 PHE QB 1 47 LEU QD . . 9.450 4.811 4.129 5.544 . 0 0 "[ . 1 . 2]" 1
590 1 41 PHE HD1 1 47 LEU QD . . 5.820 3.905 3.030 4.659 . 0 0 "[ . 1 . 2]" 1
591 1 42 GLN H 1 42 GLN QB . . 3.710 2.319 2.179 2.460 . 0 0 "[ . 1 . 2]" 1
592 1 42 GLN H 1 42 GLN QG . . 4.680 3.294 2.460 4.069 . 0 0 "[ . 1 . 2]" 1
593 1 42 GLN H 1 42 GLN QE . . 6.860 4.596 2.830 5.737 . 0 0 "[ . 1 . 2]" 1
594 1 42 GLN H 1 43 ARG QB . . 6.020 4.648 4.243 4.894 . 0 0 "[ . 1 . 2]" 1
595 1 42 GLN QG 1 43 ARG H . . 6.880 4.255 3.564 4.501 . 0 0 "[ . 1 . 2]" 1
596 1 43 ARG H 1 43 ARG QB . . 3.700 2.589 2.349 2.936 . 0 0 "[ . 1 . 2]" 1
597 1 43 ARG H 1 43 ARG QD . . 5.630 3.510 2.749 4.628 . 0 0 "[ . 1 . 2]" 1
598 1 43 ARG HA 1 43 ARG QG . . 3.540 2.965 2.367 3.346 . 0 0 "[ . 1 . 2]" 1
599 1 43 ARG QG 1 44 GLN H . . 5.120 3.718 2.354 4.282 . 0 0 "[ . 1 . 2]" 1
600 1 43 ARG QG 1 44 GLN QB . . 6.720 4.964 3.191 5.842 . 0 0 "[ . 1 . 2]" 1
601 1 44 GLN H 1 44 GLN QB . . 3.860 2.581 2.143 3.201 . 0 0 "[ . 1 . 2]" 1
602 1 44 GLN QB 1 46 TYR H . . 4.680 3.098 2.460 3.749 . 0 0 "[ . 1 . 2]" 1
603 1 44 GLN QG 1 45 LYS H . . 6.410 3.471 2.106 4.328 . 0 0 "[ . 1 . 2]" 1
604 1 45 LYS H 1 45 LYS QG . . 4.000 2.375 1.820 4.075 0.075 8 0 "[ . 1 . 2]" 1
605 1 45 LYS H 1 45 LYS QD . . 4.420 3.558 1.732 4.060 . 0 0 "[ . 1 . 2]" 1
606 1 45 LYS QB 1 46 TYR HD2 . . 5.400 3.322 2.609 4.601 . 0 0 "[ . 1 . 2]" 1
607 1 45 LYS QG 1 46 TYR H . . 6.880 3.474 1.782 4.406 . 0 0 "[ . 1 . 2]" 1
608 1 45 LYS QD 1 46 TYR H . . 5.480 4.362 2.115 4.789 . 0 0 "[ . 1 . 2]" 1
609 1 45 LYS QD 1 46 TYR HD2 . . 6.200 4.375 3.123 5.982 . 0 0 "[ . 1 . 2]" 1
610 1 46 TYR H 1 46 TYR QB . . 3.700 2.759 2.648 2.908 . 0 0 "[ . 1 . 2]" 1
611 1 46 TYR H 1 47 LEU QD . . 7.960 4.890 4.051 5.831 . 0 0 "[ . 1 . 2]" 1
612 1 46 TYR HA 1 47 LEU QB . . 5.760 4.541 4.287 4.802 . 0 0 "[ . 1 . 2]" 1
613 1 46 TYR HA 1 47 LEU QD . . 6.770 3.791 2.700 4.353 . 0 0 "[ . 1 . 2]" 1
614 1 46 TYR QB 1 46 TYR HD1 . . 3.330 2.648 2.551 2.820 . 0 0 "[ . 1 . 2]" 1
615 1 46 TYR QB 1 52 MET ME . . 7.900 5.210 4.798 5.923 . 0 0 "[ . 1 . 2]" 1
616 1 46 TYR HD1 1 47 LEU QD . . 7.170 4.789 3.831 5.420 . 0 0 "[ . 1 . 2]" 1
617 1 47 LEU H 1 47 LEU QB . . 3.280 2.446 2.255 2.990 . 0 0 "[ . 1 . 2]" 1
618 1 47 LEU QB 1 51 GLN QB . . 7.360 2.454 1.807 2.986 . 0 0 "[ . 1 . 2]" 1
619 1 47 LEU QB 1 51 GLN QG . . 7.330 4.309 2.867 4.940 . 0 0 "[ . 1 . 2]" 1
620 1 47 LEU QB 1 52 MET H . . 4.690 3.272 3.183 3.464 . 0 0 "[ . 1 . 2]" 1
621 1 47 LEU QB 1 52 MET QB . . 6.770 2.936 2.491 3.767 . 0 0 "[ . 1 . 2]" 1
622 1 47 LEU HB3 1 52 MET HB2 . . 7.760 4.880 4.138 6.755 . 0 0 "[ . 1 . 2]" 1
623 1 47 LEU HB3 1 52 MET HB3 . . 7.760 3.363 2.580 5.338 . 0 0 "[ . 1 . 2]" 1
624 1 47 LEU QB 1 52 MET ME . . 4.320 3.197 2.483 4.039 . 0 0 "[ . 1 . 2]" 1
625 1 47 LEU QD 1 48 SER H . . 7.560 3.566 3.197 4.226 . 0 0 "[ . 1 . 2]" 1
626 1 47 LEU QD 1 51 GLN HA . . 8.570 4.353 3.796 5.220 . 0 0 "[ . 1 . 2]" 1
627 1 47 LEU QD 1 51 GLN QB . . 6.170 2.421 1.750 3.321 . 0 0 "[ . 1 . 2]" 1
628 1 47 LEU MD1 1 51 GLN HB2 . . 7.950 4.243 2.724 5.429 . 0 0 "[ . 1 . 2]" 1
629 1 47 LEU MD1 1 51 GLN HB3 . . 7.950 3.866 1.966 4.542 . 0 0 "[ . 1 . 2]" 1
630 1 47 LEU QD 1 51 GLN QG . . 7.290 3.825 2.197 4.828 . 0 0 "[ . 1 . 2]" 1
631 1 47 LEU QD 1 52 MET H . . 8.570 3.850 2.640 4.554 . 0 0 "[ . 1 . 2]" 1
632 1 47 LEU QD 1 52 MET QB . . 7.610 3.157 1.723 4.355 . 0 0 "[ . 1 . 2]" 1
633 1 47 LEU QD 1 52 MET ME . . 7.140 3.770 2.096 4.522 . 0 0 "[ . 1 . 2]" 1
634 1 47 LEU QD 1 55 LEU QD . . 8.280 2.474 1.946 3.909 . 0 0 "[ . 1 . 2]" 1
635 1 47 LEU MD1 1 55 LEU MD1 . . 9.720 4.496 3.408 5.940 . 0 0 "[ . 1 . 2]" 1
636 1 47 LEU MD2 1 55 LEU MD2 . . 9.720 2.975 2.049 4.928 . 0 0 "[ . 1 . 2]" 1
637 1 47 LEU QD 1 66 VAL QG . . 10.880 2.973 2.396 4.350 . 0 0 "[ . 1 . 2]" 1
638 1 48 SER H 1 48 SER QB . . 3.390 2.465 2.230 2.756 . 0 0 "[ . 1 . 2]" 1
639 1 48 SER H 1 51 GLN QB . . 3.300 1.980 1.788 2.256 . 0 0 "[ . 1 . 2]" 1
640 1 48 SER H 1 51 GLN QG . . 4.070 3.040 2.751 3.627 . 0 0 "[ . 1 . 2]" 1
641 1 48 SER QB 1 49 LEU H . . 3.890 2.465 1.965 3.138 . 0 0 "[ . 1 . 2]" 1
642 1 48 SER QB 1 50 GLN H . . 4.760 2.914 2.664 3.227 . 0 0 "[ . 1 . 2]" 1
643 1 48 SER QB 1 51 GLN H . . 5.550 2.822 2.251 3.600 . 0 0 "[ . 1 . 2]" 1
644 1 48 SER QB 1 52 MET ME . . 7.900 4.715 4.468 5.084 . 0 0 "[ . 1 . 2]" 1
645 1 49 LEU H 1 50 GLN QB . . 5.340 4.369 4.081 4.503 . 0 0 "[ . 1 . 2]" 1
646 1 49 LEU H 1 52 MET QG . . 6.880 4.434 4.151 4.894 . 0 0 "[ . 1 . 2]" 1
647 1 49 LEU HA 1 52 MET QG . . 5.510 2.271 2.053 2.850 . 0 0 "[ . 1 . 2]" 1
648 1 49 LEU QB 1 50 GLN H . . 4.070 2.592 2.489 2.788 . 0 0 "[ . 1 . 2]" 1
649 1 49 LEU QB 1 63 TYR HE1 . . 6.880 5.123 3.626 6.221 . 0 0 "[ . 1 . 2]" 1
650 1 49 LEU QD 1 50 GLN H . . 6.610 3.714 3.201 4.070 . 0 0 "[ . 1 . 2]" 1
651 1 49 LEU QD 1 50 GLN HA . . 7.600 4.102 2.799 5.276 . 0 0 "[ . 1 . 2]" 1
652 1 49 LEU QD 1 52 MET QG . . 7.150 3.016 2.417 4.076 . 0 0 "[ . 1 . 2]" 1
653 1 49 LEU QD 1 52 MET ME . . 8.040 2.799 2.262 3.223 . 0 0 "[ . 1 . 2]" 1
654 1 49 LEU QD 1 63 TYR HE2 . . 7.090 4.792 4.236 5.795 . 0 0 "[ . 1 . 2]" 1
655 1 49 LEU QD 1 63 TYR HE1 . . 6.300 3.293 2.461 4.673 . 0 0 "[ . 1 . 2]" 1
656 1 49 LEU QD 1 63 TYR HD1 . . 7.090 5.126 4.326 6.471 . 0 0 "[ . 1 . 2]" 1
657 1 49 LEU QD 1 67 LYS QG . . 6.010 4.100 3.054 5.044 . 0 0 "[ . 1 . 2]" 1
658 1 49 LEU MD1 1 67 LYS HG2 . . 7.850 6.314 3.894 8.787 0.937 19 2 "[ . 1- . +2]" 1
659 1 49 LEU MD2 1 67 LYS HG2 . . 7.850 6.201 4.299 8.421 0.571 5 1 "[ + 1 . 2]" 1
660 1 50 GLN H 1 50 GLN QG . . 5.010 3.554 2.243 4.036 . 0 0 "[ . 1 . 2]" 1
661 1 50 GLN HA 1 50 GLN QG . . 3.790 2.408 2.231 2.891 . 0 0 "[ . 1 . 2]" 1
662 1 50 GLN HA 1 53 GLN QG . . 5.010 2.263 2.039 2.559 . 0 0 "[ . 1 . 2]" 1
663 1 50 GLN QB 1 53 GLN H . . 6.700 5.239 4.969 5.413 . 0 0 "[ . 1 . 2]" 1
664 1 50 GLN QB 1 54 GLU H . . 5.940 5.058 4.662 5.480 . 0 0 "[ . 1 . 2]" 1
665 1 51 GLN H 1 51 GLN QG . . 3.500 2.528 2.146 3.920 0.420 6 0 "[ . 1 . 2]" 1
666 1 51 GLN H 1 52 MET QG . . 4.680 3.862 3.702 4.106 . 0 0 "[ . 1 . 2]" 1
667 1 51 GLN HA 1 51 GLN QE . . 5.820 4.415 4.011 4.818 . 0 0 "[ . 1 . 2]" 1
668 1 51 GLN HA 1 54 GLU QB . . 4.220 2.341 1.889 2.933 . 0 0 "[ . 1 . 2]" 1
669 1 51 GLN HA 1 54 GLU QG . . 5.870 4.068 3.410 4.585 . 0 0 "[ . 1 . 2]" 1
670 1 51 GLN QB 1 52 MET H . . 3.910 2.696 2.502 2.908 . 0 0 "[ . 1 . 2]" 1
671 1 51 GLN QG 1 52 MET H . . 5.330 4.201 3.726 4.365 . 0 0 "[ . 1 . 2]" 1
672 1 52 MET H 1 52 MET QG . . 3.110 2.063 1.961 2.150 . 0 0 "[ . 1 . 2]" 1
673 1 52 MET HA 1 55 LEU QB . . 4.590 2.732 2.367 3.085 . 0 0 "[ . 1 . 2]" 1
674 1 52 MET HA 1 55 LEU QD . . 6.520 3.696 3.174 4.442 . 0 0 "[ . 1 . 2]" 1
675 1 52 MET HA 1 66 VAL QG . . 6.660 2.415 2.216 2.554 . 0 0 "[ . 1 . 2]" 1
676 1 52 MET QB 1 63 TYR HA . . 6.880 4.740 4.390 5.014 . 0 0 "[ . 1 . 2]" 1
677 1 52 MET QB 1 63 TYR HE1 . . 4.360 3.778 3.250 4.176 . 0 0 "[ . 1 . 2]" 1
678 1 52 MET QB 1 63 TYR HD1 . . 4.860 3.952 3.550 4.387 . 0 0 "[ . 1 . 2]" 1
679 1 52 MET QB 1 66 VAL HB . . 6.480 3.371 3.015 3.640 . 0 0 "[ . 1 . 2]" 1
680 1 52 MET QB 1 66 VAL QG . . 9.450 2.297 2.135 2.645 . 0 0 "[ . 1 . 2]" 1
681 1 52 MET QB 1 67 LYS H . . 5.220 4.037 3.782 4.284 . 0 0 "[ . 1 . 2]" 1
682 1 52 MET QB 1 67 LYS HA . . 5.660 3.230 3.036 3.426 . 0 0 "[ . 1 . 2]" 1
683 1 52 MET QG 1 53 GLN H . . 3.700 2.219 2.098 2.395 . 0 0 "[ . 1 . 2]" 1
684 1 52 MET QG 1 63 TYR HA . . 6.880 4.925 4.506 5.419 . 0 0 "[ . 1 . 2]" 1
685 1 52 MET QG 1 63 TYR HE1 . . 4.580 1.929 1.778 2.236 . 0 0 "[ . 1 . 2]" 1
686 1 52 MET QG 1 63 TYR HD1 . . 5.550 2.865 2.383 3.220 . 0 0 "[ . 1 . 2]" 1
687 1 52 MET ME 1 66 VAL QG . . 8.470 4.033 3.706 4.339 . 0 0 "[ . 1 . 2]" 1
688 1 52 MET ME 1 70 PHE QB . . 6.060 3.441 3.090 4.851 . 0 0 "[ . 1 . 2]" 1
689 1 53 GLN H 1 53 GLN QB . . 3.550 2.643 2.530 2.770 . 0 0 "[ . 1 . 2]" 1
690 1 53 GLN H 1 53 GLN QG . . 3.820 2.060 1.885 2.283 . 0 0 "[ . 1 . 2]" 1
691 1 53 GLN HA 1 53 GLN QG . . 3.960 3.350 3.334 3.369 . 0 0 "[ . 1 . 2]" 1
692 1 53 GLN HA 1 63 TYR QB . . 4.430 3.235 2.744 3.575 . 0 0 "[ . 1 . 2]" 1
693 1 53 GLN QG 1 54 GLU H . . 3.360 2.255 2.113 2.354 . 0 0 "[ . 1 . 2]" 1
694 1 53 GLN QG 1 55 LEU H . . 6.880 4.578 4.402 4.746 . 0 0 "[ . 1 . 2]" 1
695 1 53 GLN QE 1 63 TYR HE1 . . 6.180 3.782 2.536 5.773 . 0 0 "[ . 1 . 2]" 1
696 1 53 GLN QE 1 63 TYR HD1 . . 5.740 3.977 3.112 5.281 . 0 0 "[ . 1 . 2]" 1
697 1 54 GLU H 1 54 GLU QB . . 3.480 2.234 2.113 2.429 . 0 0 "[ . 1 . 2]" 1
698 1 54 GLU H 1 55 LEU QB . . 6.880 4.376 4.225 4.510 . 0 0 "[ . 1 . 2]" 1
699 1 54 GLU HA 1 57 ASN QB . . 5.040 3.017 2.426 3.431 . 0 0 "[ . 1 . 2]" 1
700 1 54 GLU QB 1 55 LEU H . . 4.220 2.405 2.229 2.664 . 0 0 "[ . 1 . 2]" 1
701 1 54 GLU QB 1 58 ILE MD . . 6.280 3.887 2.878 4.609 . 0 0 "[ . 1 . 2]" 1
702 1 54 GLU QG 1 55 LEU H . . 5.620 3.606 3.194 4.328 . 0 0 "[ . 1 . 2]" 1
703 1 54 GLU QG 1 58 ILE MD . . 6.570 2.577 1.967 5.088 . 0 0 "[ . 1 . 2]" 1
704 1 55 LEU H 1 66 VAL QG . . 7.670 3.946 3.738 4.125 . 0 0 "[ . 1 . 2]" 1
705 1 55 LEU HA 1 55 LEU QD . . 4.110 1.937 1.807 2.084 . 0 0 "[ . 1 . 2]" 1
706 1 55 LEU QB 1 56 SER H . . 3.580 2.543 2.290 2.770 . 0 0 "[ . 1 . 2]" 1
707 1 55 LEU HG 1 56 SER QB . . 6.450 5.758 4.763 6.807 0.357 13 0 "[ . 1 . 2]" 1
708 1 55 LEU QD 1 56 SER H . . 6.910 3.833 3.135 4.022 . 0 0 "[ . 1 . 2]" 1
709 1 55 LEU QD 1 58 ILE HB . . 6.010 2.879 2.290 3.346 . 0 0 "[ . 1 . 2]" 1
710 1 55 LEU QD 1 59 LEU H . . 6.340 3.851 3.081 4.285 . 0 0 "[ . 1 . 2]" 1
711 1 55 LEU QD 1 59 LEU QB . . 7.000 3.643 2.101 4.331 . 0 0 "[ . 1 . 2]" 1
712 1 55 LEU QD 1 59 LEU HG . . 5.690 3.237 2.331 5.181 . 0 0 "[ . 1 . 2]" 1
713 1 55 LEU QD 1 59 LEU QD . . 8.750 2.236 1.932 3.000 . 0 0 "[ . 1 . 2]" 1
714 1 55 LEU QD 1 61 LEU QD . . 10.980 4.230 2.987 5.133 . 0 0 "[ . 1 . 2]" 1
715 1 55 LEU QD 1 66 VAL QG . . 8.430 2.565 1.814 3.717 . 0 0 "[ . 1 . 2]" 1
716 1 56 SER H 1 56 SER QB . . 3.630 2.492 2.215 2.766 . 0 0 "[ . 1 . 2]" 1
717 1 56 SER H 1 66 VAL QG . . 4.910 2.674 2.440 2.839 . 0 0 "[ . 1 . 2]" 1
718 1 56 SER HA 1 66 VAL QG . . 5.720 2.083 1.950 2.278 . 0 0 "[ . 1 . 2]" 1
719 1 56 SER QB 1 57 ASN H . . 4.070 2.822 2.283 3.518 . 0 0 "[ . 1 . 2]" 1
720 1 57 ASN H 1 57 ASN QB . . 3.160 2.255 2.201 2.317 . 0 0 "[ . 1 . 2]" 1
721 1 57 ASN H 1 58 ILE QG . . 6.020 3.815 3.658 3.957 . 0 0 "[ . 1 . 2]" 1
722 1 57 ASN H 1 66 VAL QG . . 6.620 4.464 4.294 4.645 . 0 0 "[ . 1 . 2]" 1
723 1 57 ASN QB 1 58 ILE H . . 3.910 2.742 2.631 2.851 . 0 0 "[ . 1 . 2]" 1
724 1 58 ILE H 1 58 ILE QG . . 2.740 1.999 1.852 2.166 . 0 0 "[ . 1 . 2]" 1
725 1 58 ILE HA 1 58 ILE QG . . 3.890 2.465 2.384 2.836 . 0 0 "[ . 1 . 2]" 1
726 1 58 ILE HB 1 59 LEU QD . . 7.060 3.101 1.930 4.639 . 0 0 "[ . 1 . 2]" 1
727 1 58 ILE MG 1 59 LEU QD . . 9.340 2.791 2.256 4.049 . 0 0 "[ . 1 . 2]" 1
728 1 58 ILE QG 1 59 LEU H . . 4.580 3.832 3.658 3.956 . 0 0 "[ . 1 . 2]" 1
729 1 59 LEU H 1 59 LEU QB . . 3.430 2.386 2.207 2.559 . 0 0 "[ . 1 . 2]" 1
730 1 59 LEU H 1 60 ASN QB . . 6.880 4.949 4.832 5.294 . 0 0 "[ . 1 . 2]" 1
731 1 59 LEU QB 1 61 LEU QD . . 7.040 2.486 1.892 3.456 . 0 0 "[ . 1 . 2]" 1
732 1 59 LEU QD 1 61 LEU QD . . 9.980 2.705 1.888 3.522 . 0 0 "[ . 1 . 2]" 1
733 1 59 LEU QD 1 66 VAL QG . . 8.260 3.551 2.938 4.321 . 0 0 "[ . 1 . 2]" 1
734 1 59 LEU MD1 1 66 VAL MG1 . . 10.800 5.412 3.803 7.081 . 0 0 "[ . 1 . 2]" 1
735 1 59 LEU MD1 1 66 VAL MG2 . . 10.800 4.544 3.088 6.027 . 0 0 "[ . 1 . 2]" 1
736 1 60 ASN H 1 60 ASN QB . . 3.740 2.971 2.872 3.324 . 0 0 "[ . 1 . 2]" 1
737 1 61 LEU H 1 61 LEU QB . . 3.480 2.484 2.275 2.648 . 0 0 "[ . 1 . 2]" 1
738 1 61 LEU H 1 66 VAL QG . . 7.130 4.295 3.970 4.541 . 0 0 "[ . 1 . 2]" 1
739 1 61 LEU HA 1 62 SER QB . . 4.170 4.127 4.066 4.201 0.031 4 0 "[ . 1 . 2]" 1
740 1 61 LEU QB 1 62 SER H . . 3.680 2.211 1.915 3.202 . 0 0 "[ . 1 . 2]" 1
741 1 61 LEU QB 1 65 GLN QB . . 5.710 2.924 2.482 3.985 . 0 0 "[ . 1 . 2]" 1
742 1 61 LEU QB 1 66 VAL H . . 5.220 4.165 3.808 4.600 . 0 0 "[ . 1 . 2]" 1
743 1 61 LEU QB 1 66 VAL QG . . 8.120 2.502 2.167 2.829 . 0 0 "[ . 1 . 2]" 1
744 1 61 LEU QD 1 66 VAL QG . . 8.610 2.682 1.958 3.160 . 0 0 "[ . 1 . 2]" 1
745 1 62 SER H 1 62 SER QB . . 3.300 2.270 2.213 2.369 . 0 0 "[ . 1 . 2]" 1
746 1 62 SER H 1 65 GLN QB . . 3.530 2.588 2.439 2.698 . 0 0 "[ . 1 . 2]" 1
747 1 62 SER QB 1 64 LYS H . . 4.540 3.444 3.314 3.547 . 0 0 "[ . 1 . 2]" 1
748 1 62 SER QB 1 65 GLN H . . 5.010 2.499 2.319 2.738 . 0 0 "[ . 1 . 2]" 1
749 1 63 TYR H 1 63 TYR QB . . 3.320 2.195 2.141 2.230 . 0 0 "[ . 1 . 2]" 1
750 1 63 TYR HA 1 66 VAL QG . . 7.490 3.196 3.024 3.478 . 0 0 "[ . 1 . 2]" 1
751 1 63 TYR QB 1 64 LYS H . . 4.180 2.746 2.631 2.853 . 0 0 "[ . 1 . 2]" 1
752 1 64 LYS HA 1 67 LYS QB . . 4.620 2.728 2.087 3.273 . 0 0 "[ . 1 . 2]" 1
753 1 65 GLN H 1 65 GLN QB . . 3.480 2.370 2.156 2.498 . 0 0 "[ . 1 . 2]" 1
754 1 65 GLN H 1 65 GLN QG . . 4.110 2.536 2.135 3.956 . 0 0 "[ . 1 . 2]" 1
755 1 65 GLN H 1 66 VAL QG . . 6.520 4.047 3.886 4.219 . 0 0 "[ . 1 . 2]" 1
756 1 65 GLN QB 1 66 VAL H . . 3.760 2.561 2.445 2.826 . 0 0 "[ . 1 . 2]" 1
757 1 66 VAL H 1 66 VAL QG . . 3.510 2.200 2.105 2.362 . 0 0 "[ . 1 . 2]" 1
758 1 66 VAL H 1 67 LYS QB . . 5.730 4.289 4.161 4.423 . 0 0 "[ . 1 . 2]" 1
759 1 66 VAL HA 1 69 TRP QB . . 5.580 2.777 2.159 3.165 . 0 0 "[ . 1 . 2]" 1
760 1 66 VAL QG 1 67 LYS H . . 4.680 3.212 3.119 3.302 . 0 0 "[ . 1 . 2]" 1
761 1 66 VAL QG 1 67 LYS HA . . 8.320 3.396 3.308 3.520 . 0 0 "[ . 1 . 2]" 1
762 1 67 LYS H 1 67 LYS QB . . 3.680 2.197 2.064 2.265 . 0 0 "[ . 1 . 2]" 1
763 1 67 LYS QB 1 68 THR H . . 4.360 2.509 2.336 2.830 . 0 0 "[ . 1 . 2]" 1
764 1 68 THR HA 1 71 GLN QB . . 4.040 2.690 2.247 2.922 . 0 0 "[ . 1 . 2]" 1
765 1 68 THR HA 1 72 ASN QB . . 6.200 4.811 4.195 5.846 . 0 0 "[ . 1 . 2]" 1
766 1 69 TRP H 1 69 TRP QB . . 3.120 2.217 2.042 2.271 . 0 0 "[ . 1 . 2]" 1
767 1 69 TRP HA 1 72 ASN QB . . 5.480 2.722 2.357 3.479 . 0 0 "[ . 1 . 2]" 1
768 1 70 PHE H 1 70 PHE QB . . 3.660 2.206 2.083 2.325 . 0 0 "[ . 1 . 2]" 1
769 1 70 PHE HZ 1 71 GLN QB . . 6.660 6.856 5.234 7.610 0.950 13 8 "[* * . - 1* + ** *]" 1
770 1 70 PHE HZ 1 71 GLN QE . . 4.920 5.156 3.193 5.850 0.930 19 11 "[ - ***** * * . **+2]" 1
771 1 72 ASN QB 1 75 MET ME . . 6.010 3.651 2.388 5.755 . 0 0 "[ . 1 . 2]" 1
772 1 73 GLN QB 1 75 MET H . . 6.090 4.789 4.291 5.289 . 0 0 "[ . 1 . 2]" 1
773 1 74 ARG H 1 74 ARG QB . . 3.690 2.259 2.043 2.654 . 0 0 "[ . 1 . 2]" 1
774 1 74 ARG QG 1 75 MET H . . 6.880 3.916 2.487 4.583 . 0 0 "[ . 1 . 2]" 1
775 1 75 MET H 1 75 MET QB . . 3.630 2.475 2.287 2.698 . 0 0 "[ . 1 . 2]" 1
776 1 75 MET H 1 75 MET QG . . 3.630 2.349 2.016 2.662 . 0 0 "[ . 1 . 2]" 1
777 1 75 MET QG 1 76 LYS H . . 5.880 3.127 1.797 4.308 . 0 0 "[ . 1 . 2]" 1
778 1 75 MET ME 1 76 LYS QE . . 7.900 5.240 1.968 7.376 . 0 0 "[ . 1 . 2]" 1
779 1 76 LYS H 1 76 LYS QB . . 3.650 2.449 2.159 2.800 . 0 0 "[ . 1 . 2]" 1
780 1 76 LYS H 1 76 LYS QG . . 3.650 2.355 1.929 2.986 . 0 0 "[ . 1 . 2]" 1
781 1 76 LYS H 1 76 LYS QE . . 6.880 4.394 3.577 4.939 . 0 0 "[ . 1 . 2]" 1
782 1 76 LYS QB 1 77 SER HA . . 5.980 4.031 3.579 4.570 . 0 0 "[ . 1 . 2]" 1
783 1 76 LYS QG 1 77 SER H . . 5.700 3.754 2.403 4.549 . 0 0 "[ . 1 . 2]" 1
784 1 78 LYS QG 1 79 ARG H . . 5.760 3.716 2.014 4.600 . 0 0 "[ . 1 . 2]" 1
785 1 81 GLN H 1 81 GLN QB . . 3.900 2.694 2.252 3.374 . 0 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 42
_Distance_constraint_stats_list.Viol_count 405
_Distance_constraint_stats_list.Viol_total 1343.446
_Distance_constraint_stats_list.Viol_max 0.391
_Distance_constraint_stats_list.Viol_rms 0.1116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0800
_Distance_constraint_stats_list.Viol_average_violations_only 0.1659
_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 32 THR 6.534 0.380 18 0 "[ . 1 . 2]"
1 33 GLN 2.234 0.284 7 0 "[ . 1 . 2]"
1 34 LEU 0.463 0.296 17 0 "[ . 1 . 2]"
1 35 CYS 0.021 0.021 5 0 "[ . 1 . 2]"
1 36 VAL 11.483 0.380 18 0 "[ . 1 . 2]"
1 37 LEU 7.765 0.374 7 0 "[ . 1 . 2]"
1 38 ASN 3.251 0.296 17 0 "[ . 1 . 2]"
1 39 ASP 0.021 0.021 5 0 "[ . 1 . 2]"
1 40 ARG 4.949 0.366 11 0 "[ . 1 . 2]"
1 41 PHE 5.531 0.374 7 0 "[ . 1 . 2]"
1 42 GLN 2.788 0.275 17 0 "[ . 1 . 2]"
1 50 GLN 3.582 0.315 16 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 MET 5.219 0.321 18 0 "[ . 1 . 2]"
1 53 GLN 10.155 0.391 19 0 "[ . 1 . 2]"
1 54 GLU 3.582 0.315 16 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 5.219 0.321 18 0 "[ . 1 . 2]"
1 57 ASN 10.155 0.391 19 0 "[ . 1 . 2]"
1 63 TYR 0.156 0.115 1 0 "[ . 1 . 2]"
1 64 LYS 3.278 0.321 12 0 "[ . 1 . 2]"
1 65 GLN 3.548 0.319 6 0 "[ . 1 . 2]"
1 66 VAL 4.152 0.358 11 0 "[ . 1 . 2]"
1 67 LYS 3.841 0.340 15 0 "[ . 1 . 2]"
1 68 THR 4.765 0.321 12 0 "[ . 1 . 2]"
1 69 TRP 5.009 0.323 14 0 "[ . 1 . 2]"
1 70 PHE 7.058 0.358 11 0 "[ . 1 . 2]"
1 71 GLN 4.760 0.340 15 0 "[ . 1 . 2]"
1 72 ASN 5.436 0.362 16 0 "[ . 1 . 2]"
1 73 GLN 1.461 0.323 14 0 "[ . 1 . 2]"
1 74 ARG 2.906 0.333 20 0 "[ . 1 . 2]"
1 75 MET 1.075 0.304 5 0 "[ . 1 . 2]"
1 76 LYS 3.949 0.362 16 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 32 THR O 1 36 VAL H . . 2.000 2.170 1.820 2.380 0.380 18 0 "[ . 1 . 2]" 2
2 1 32 THR O 1 36 VAL N . . 3.000 3.100 2.767 3.316 0.316 15 0 "[ . 1 . 2]" 2
3 1 33 GLN O 1 37 LEU H . . 2.000 2.053 1.852 2.284 0.284 7 0 "[ . 1 . 2]" 2
4 1 33 GLN O 1 37 LEU N . . 3.000 3.003 2.821 3.196 0.196 4 0 "[ . 1 . 2]" 2
5 1 34 LEU O 1 38 ASN H . . 2.000 1.935 1.763 2.296 0.296 17 0 "[ . 1 . 2]" 2
6 1 34 LEU O 1 38 ASN N . . 3.000 2.873 2.727 3.161 0.161 17 0 "[ . 1 . 2]" 2
7 1 35 CYS O 1 39 ASP H . . 2.000 1.874 1.744 2.021 0.021 5 0 "[ . 1 . 2]" 2
8 1 35 CYS O 1 39 ASP N . . 3.000 2.794 2.684 2.944 . 0 0 "[ . 1 . 2]" 2
9 1 36 VAL O 1 40 ARG H . . 2.000 2.131 1.875 2.366 0.366 11 0 "[ . 1 . 2]" 2
10 1 36 VAL O 1 40 ARG N . . 3.000 3.066 2.832 3.345 0.345 11 0 "[ . 1 . 2]" 2
11 1 37 LEU O 1 41 PHE H . . 2.000 2.140 1.853 2.374 0.374 7 0 "[ . 1 . 2]" 2
12 1 37 LEU O 1 41 PHE N . . 3.000 3.081 2.788 3.309 0.309 14 0 "[ . 1 . 2]" 2
13 1 38 ASN O 1 42 GLN H . . 2.000 2.115 1.903 2.275 0.275 17 0 "[ . 1 . 2]" 2
14 1 38 ASN O 1 42 GLN N . . 3.000 2.878 2.677 3.143 0.143 17 0 "[ . 1 . 2]" 2
15 1 50 GLN O 1 54 GLU H . . 2.000 2.105 1.786 2.315 0.315 16 0 "[ . 1 . 2]" 2
16 1 50 GLN O 1 54 GLU N . . 3.000 2.987 2.694 3.184 0.184 19 0 "[ . 1 . 2]" 2
17 1 51 GLN O 1 55 LEU H . . 2.000 1.837 1.761 1.943 . 0 0 "[ . 1 . 2]" 2
18 1 51 GLN O 1 55 LEU N . . 3.000 2.778 2.706 2.861 . 0 0 "[ . 1 . 2]" 2
19 1 52 MET O 1 56 SER H . . 2.000 2.165 2.019 2.321 0.321 18 0 "[ . 1 . 2]" 2
20 1 52 MET O 1 56 SER N . . 3.000 3.087 2.917 3.246 0.246 16 0 "[ . 1 . 2]" 2
21 1 53 GLN O 1 57 ASN H . . 2.000 2.306 2.134 2.391 0.391 19 0 "[ . 1 . 2]" 2
22 1 53 GLN O 1 57 ASN N . . 3.000 3.201 2.995 3.328 0.328 19 0 "[ . 1 . 2]" 2
23 1 63 TYR O 1 67 LYS H . . 2.000 1.854 1.756 2.115 0.115 1 0 "[ . 1 . 2]" 2
24 1 63 TYR O 1 67 LYS N . . 3.000 2.790 2.694 3.042 0.042 1 0 "[ . 1 . 2]" 2
25 1 64 LYS O 1 68 THR H . . 2.000 2.102 1.901 2.321 0.321 12 0 "[ . 1 . 2]" 2
26 1 64 LYS O 1 68 THR N . . 3.000 3.002 2.805 3.223 0.223 12 0 "[ . 1 . 2]" 2
27 1 65 GLN O 1 69 TRP H . . 2.000 2.095 1.831 2.319 0.319 6 0 "[ . 1 . 2]" 2
28 1 65 GLN O 1 69 TRP N . . 3.000 3.008 2.751 3.251 0.251 6 0 "[ . 1 . 2]" 2
29 1 66 VAL O 1 70 PHE H . . 2.000 2.098 1.845 2.358 0.358 11 0 "[ . 1 . 2]" 2
30 1 66 VAL O 1 70 PHE N . . 3.000 3.050 2.802 3.297 0.297 19 0 "[ . 1 . 2]" 2
31 1 67 LYS O 1 71 GLN H . . 2.000 2.091 1.858 2.340 0.340 15 0 "[ . 1 . 2]" 2
32 1 67 LYS O 1 71 GLN N . . 3.000 3.011 2.766 3.262 0.262 15 0 "[ . 1 . 2]" 2
33 1 68 THR O 1 72 ASN H . . 2.000 2.016 1.770 2.270 0.270 5 0 "[ . 1 . 2]" 2
34 1 68 THR O 1 72 ASN N . . 3.000 2.894 2.700 3.085 0.085 10 0 "[ . 1 . 2]" 2
35 1 69 TRP O 1 73 GLN H . . 2.000 1.949 1.762 2.323 0.323 14 0 "[ . 1 . 2]" 2
36 1 69 TRP O 1 73 GLN N . . 3.000 2.907 2.678 3.251 0.251 14 0 "[ . 1 . 2]" 2
37 1 70 PHE O 1 74 ARG H . . 2.000 2.061 1.827 2.333 0.333 20 0 "[ . 1 . 2]" 2
38 1 70 PHE O 1 74 ARG N . . 3.000 2.963 2.733 3.246 0.246 20 0 "[ . 1 . 2]" 2
39 1 71 GLN O 1 75 MET H . . 2.000 1.971 1.762 2.304 0.304 5 0 "[ . 1 . 2]" 2
40 1 71 GLN O 1 75 MET N . . 3.000 2.852 2.694 3.134 0.134 5 0 "[ . 1 . 2]" 2
41 1 72 ASN O 1 76 LYS H . . 2.000 2.084 1.817 2.362 0.362 16 0 "[ . 1 . 2]" 2
42 1 72 ASN O 1 76 LYS N . . 3.000 2.961 2.760 3.239 0.239 14 0 "[ . 1 . 2]" 2
stop_
save_
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