NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636478 |
6mw6   |
30530 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mw6
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 339
_Distance_constraint_stats_list.Viol_count 1402
_Distance_constraint_stats_list.Viol_total 16000.968
_Distance_constraint_stats_list.Viol_max 3.282
_Distance_constraint_stats_list.Viol_rms 0.3479
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1180
_Distance_constraint_stats_list.Viol_average_violations_only 0.5706
_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 GLY 136.591 3.280 11 20 [**********+*******-*]
1 2 GLY 16.938 1.059 18 10 "[ - . * *1 * ***+**]"
1 3 VAL 38.305 2.058 20 17 "[*******- *****.* **+]"
1 4 GLY 46.889 1.738 1 17 "[+ * ************* -*]"
1 5 LYS 112.781 2.463 13 20 [**-*********+*******]
1 6 ILE 150.234 2.366 11 20 [**-*******+*********]
1 7 ILE 145.587 3.282 11 20 [**-*******+*********]
1 8 GLU 143.437 2.469 5 20 [****+*************-*]
1 9 TYR 217.379 3.282 11 20 [-*********+*********]
1 10 PHE 81.779 2.163 1 18 "[+*************** **]"
1 11 ILE 26.382 1.924 14 19 "[ **********-*+******]"
1 12 GLY 12.926 1.914 18 9 "[ .* **** *-*+ 2]"
1 13 GLY 25.764 1.403 14 19 "[*******-**** +******]"
1 14 GLY 28.062 1.403 14 19 "[*******- ****+******]"
1 15 VAL 107.381 2.321 7 20 [******+************-]
1 16 GLY 47.395 2.634 18 19 "[*****-* *********+**]"
1 17 ARG 55.046 1.339 19 14 "[ ***. ***1 * *****+*]"
1 18 TYR 99.335 2.391 6 20 [****-+**************]
1 19 GLY 70.272 2.463 13 20 [*******-****+*******]
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 1 GLY H1 1 1 GLY QA . . 3.000 2.381 2.089 2.546 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY H1 1 8 GLU HA . . 4.380 5.024 3.956 5.900 1.520 20 15 "[ **** **** **.***-+]" 1
3 1 1 GLY H1 1 8 GLU QB . . 2.840 2.690 2.095 3.713 0.873 17 4 "[ * 1 . +- *]" 1
4 1 1 GLY H1 1 8 GLU QG . . 3.720 2.611 2.118 3.420 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY H1 1 12 GLY QA . . 3.450 3.809 2.054 5.364 1.914 18 9 "[ .* **** *-*+ 2]" 1
6 1 1 GLY H1 1 15 VAL QG . . 4.160 3.414 1.923 4.941 0.781 18 2 "[ . 1 . + -]" 1
7 1 1 GLY H1 1 16 GLY H . . 4.660 4.479 3.268 7.294 2.634 18 4 "[ . 1 . *+-*]" 1
8 1 1 GLY H1 1 18 TYR QB . . 4.540 3.688 2.054 5.121 0.581 4 1 "[ +. 1 . 2]" 1
9 1 1 GLY H1 1 18 TYR QD . . 5.500 5.256 3.171 6.499 0.999 8 4 "[ * *- + 1 . 2]" 1
10 1 1 GLY QA 1 2 GLY H . . 3.260 2.673 2.171 3.056 . 0 0 "[ . 1 . 2]" 1
11 1 1 GLY QA 1 2 GLY QA . . 4.620 3.702 3.593 3.812 . 0 0 "[ . 1 . 2]" 1
12 1 1 GLY QA 1 8 GLU H . . 4.410 6.181 4.256 6.879 2.469 5 17 "[****+******-**** *2]" 1
13 1 1 GLY QA 1 8 GLU QB . . 3.780 3.620 2.076 4.326 0.546 5 1 "[ + 1 . 2]" 1
14 1 1 GLY QA 1 8 GLU QG . . 5.400 3.419 2.319 3.762 . 0 0 "[ . 1 . 2]" 1
15 1 1 GLY QA 1 9 TYR HA . . 4.760 6.441 4.374 8.040 3.280 11 17 "[ *********+***.* **-]" 1
16 1 1 GLY QA 1 15 VAL HA . . 5.290 5.949 4.953 7.611 2.321 7 9 "[ - + **** *.* *2]" 1
17 1 1 GLY QA 1 15 VAL QG . . 3.110 2.929 1.993 4.433 1.323 7 2 "[ . + 1 - . 2]" 1
18 1 1 GLY QA 1 17 ARG H . . 5.440 5.376 3.511 6.507 1.067 9 5 "[ * *. -+1 * . 2]" 1
19 1 1 GLY QA 1 18 TYR QB . . 5.500 3.380 2.254 4.785 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLY H 1 3 VAL HA . . 5.500 4.729 4.282 5.292 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLY H 1 8 GLU QB . . 4.130 3.598 3.097 4.468 0.338 17 0 "[ . 1 . 2]" 1
22 1 2 GLY H 1 15 VAL QG . . 3.460 3.134 1.692 4.246 0.786 12 2 "[ . - 1 + . 2]" 1
23 1 2 GLY H 1 16 GLY QA . . 4.350 4.658 3.210 5.369 1.019 9 6 "[ - . +1 ** **2]" 1
24 1 2 GLY H 1 17 ARG H . . 3.540 3.584 2.740 4.599 1.059 18 5 "[ - . *1 * . *+ 2]" 1
25 1 2 GLY H 1 18 TYR HA . . 5.500 3.874 2.949 5.313 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLY H 1 18 TYR QB . . 4.240 3.652 2.889 5.164 0.924 20 2 "[ . 1 . - +]" 1
27 1 2 GLY QA 1 3 VAL H . . 2.620 2.230 2.061 2.732 0.112 7 0 "[ . 1 . 2]" 1
28 1 2 GLY QA 1 3 VAL HB . . 4.990 4.052 3.540 4.564 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLY QA 1 3 VAL QG . . 4.020 3.380 2.838 3.787 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLY QA 1 15 VAL HB . . 5.490 4.209 2.726 5.796 0.306 17 0 "[ . 1 . 2]" 1
31 1 2 GLY QA 1 15 VAL QG . . 4.550 2.363 2.039 3.149 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLY QA 1 17 ARG H . . 5.500 4.162 3.111 5.284 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLY QA 1 18 TYR QB . . 5.500 4.788 3.800 5.465 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL H 1 3 VAL HA . . 3.130 2.935 2.853 2.995 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL H 1 3 VAL HB . . 3.540 2.812 2.295 3.306 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL H 1 3 VAL QG . . 3.110 2.374 1.938 2.885 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL H 1 4 GLY H . . 4.180 4.502 4.343 4.703 0.523 19 1 "[ . 1 . +2]" 1
38 1 3 VAL H 1 4 GLY QA . . 5.500 4.683 4.366 5.196 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL H 1 17 ARG QB . . 5.500 4.681 4.038 5.316 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL H 1 18 TYR HA . . 5.500 4.120 2.437 5.976 0.476 11 0 "[ . 1 . 2]" 1
41 1 3 VAL H 1 18 TYR QB . . 5.500 5.176 4.069 6.860 1.360 11 5 "[ * 1+ *-. *]" 1
42 1 3 VAL HA 1 3 VAL QG . . 2.960 2.253 2.137 2.421 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL HA 1 4 GLY H . . 2.760 2.356 2.147 2.555 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL HA 1 16 GLY QA . . 4.590 4.545 3.644 5.437 0.847 19 1 "[ . 1 . +2]" 1
45 1 3 VAL HA 1 17 ARG H . . 4.170 3.350 2.359 4.347 0.177 19 0 "[ . 1 . 2]" 1
46 1 3 VAL HA 1 17 ARG QB . . 3.670 2.863 2.300 3.583 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL HA 1 17 ARG QD . . 5.500 4.071 3.209 5.594 0.094 17 0 "[ . 1 . 2]" 1
48 1 3 VAL HA 1 19 GLY H . . 5.500 6.459 5.437 7.558 2.058 20 17 "[*******- *****.* **+]" 1
49 1 3 VAL HB 1 4 GLY H . . 4.380 3.935 3.615 4.106 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL QG 1 4 GLY H . . 3.200 2.171 1.775 2.518 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL QG 1 4 GLY QA . . 4.120 3.015 2.558 3.472 . 0 0 "[ . 1 . 2]" 1
52 1 3 VAL QG 1 17 ARG H . . 4.650 4.502 3.331 5.384 0.734 19 1 "[ . 1 . +2]" 1
53 1 4 GLY H 1 5 LYS H . . 5.500 4.341 4.120 4.548 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLY H 1 5 LYS QZ . . 4.890 5.464 4.289 6.628 1.738 1 12 "[+ * *****- ** ** 2]" 1
55 1 4 GLY H 1 17 ARG H . . 4.220 4.619 4.151 5.559 1.339 19 7 "[ . *1 ***- +*]" 1
56 1 4 GLY H 1 17 ARG QB . . 3.270 2.654 2.314 3.560 0.290 19 0 "[ . 1 . 2]" 1
57 1 4 GLY H 1 17 ARG QD . . 4.360 3.768 2.700 4.892 0.532 19 1 "[ . 1 . +2]" 1
58 1 4 GLY H 1 17 ARG QG . . 5.500 4.262 3.627 5.474 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLY H 1 18 TYR H . . 4.490 5.212 4.460 6.081 1.591 13 12 "[* * ** * -* +** **]" 1
60 1 4 GLY QA 1 5 LYS H . . 3.000 2.180 2.051 2.312 . 0 0 "[ . 1 . 2]" 1
61 1 4 GLY QA 1 5 LYS QD . . 5.500 4.647 3.885 5.274 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLY QA 1 5 LYS HG3 . . 5.500 3.395 2.935 3.783 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLY QA 1 6 ILE H . . 4.590 4.122 3.491 5.284 0.694 15 1 "[ . 1 + 2]" 1
64 1 4 GLY QA 1 17 ARG QB . . 4.800 2.885 2.247 3.781 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLY QA 1 18 TYR H . . 4.700 3.623 3.032 4.867 0.167 15 0 "[ . 1 . 2]" 1
66 1 4 GLY QA 1 18 TYR QB . . 5.500 4.922 4.238 6.204 0.704 15 1 "[ . 1 + 2]" 1
67 1 4 GLY QA 1 19 GLY H . . 5.120 3.160 2.622 4.549 . 0 0 "[ . 1 . 2]" 1
68 1 5 LYS H 1 5 LYS HB2 . . 3.790 2.509 2.314 2.825 . 0 0 "[ . 1 . 2]" 1
69 1 5 LYS H 1 5 LYS HB3 . . 3.860 3.623 3.476 3.809 . 0 0 "[ . 1 . 2]" 1
70 1 5 LYS H 1 5 LYS QD . . 3.540 3.518 2.502 4.507 0.967 14 3 "[- . * 1 +. 2]" 1
71 1 5 LYS H 1 5 LYS QE . . 4.710 4.462 3.942 5.056 0.346 13 0 "[ . 1 . 2]" 1
72 1 5 LYS H 1 5 LYS HG2 . . 3.770 3.793 3.394 4.380 0.610 14 1 "[ . 1 +. 2]" 1
73 1 5 LYS H 1 5 LYS QZ . . 3.370 2.983 2.361 3.926 0.556 13 1 "[ . 1 + . 2]" 1
74 1 5 LYS H 1 6 ILE H . . 3.010 2.752 2.041 3.448 0.438 15 0 "[ . 1 . 2]" 1
75 1 5 LYS H 1 6 ILE QG . . 5.500 4.075 3.413 4.672 . 0 0 "[ . 1 . 2]" 1
76 1 5 LYS H 1 6 ILE MG . . 4.630 4.693 4.147 5.397 0.767 15 2 "[ . 1 + - 2]" 1
77 1 5 LYS H 1 17 ARG QB . . 3.600 3.608 2.909 4.585 0.985 17 2 "[ . 1 .-+ 2]" 1
78 1 5 LYS H 1 17 ARG QG . . 5.470 4.699 3.324 6.635 1.165 17 2 "[ . 1 .-+ 2]" 1
79 1 5 LYS H 1 18 TYR H . . 5.160 4.292 3.893 4.900 . 0 0 "[ . 1 . 2]" 1
80 1 5 LYS HA 1 5 LYS QD . . 3.910 4.092 3.943 4.293 0.383 9 0 "[ . 1 . 2]" 1
81 1 5 LYS HA 1 5 LYS HG2 . . 4.020 2.827 2.464 3.333 . 0 0 "[ . 1 . 2]" 1
82 1 5 LYS HA 1 5 LYS HG3 . . 3.700 2.857 2.458 3.302 . 0 0 "[ . 1 . 2]" 1
83 1 5 LYS HA 1 6 ILE H . . 4.150 3.545 3.394 3.619 . 0 0 "[ . 1 . 2]" 1
84 1 5 LYS HA 1 17 ARG QD . . 5.500 4.737 3.155 6.195 0.695 3 1 "[ + . 1 . 2]" 1
85 1 5 LYS HB2 1 5 LYS QE . . 4.050 3.991 3.365 4.187 0.137 13 0 "[ . 1 . 2]" 1
86 1 5 LYS HB2 1 5 LYS HG2 . . 3.030 2.983 2.820 3.082 0.052 13 0 "[ . 1 . 2]" 1
87 1 5 LYS HB2 1 5 LYS HG3 . . 2.900 2.645 2.337 2.965 0.065 2 0 "[ . 1 . 2]" 1
88 1 5 LYS HB2 1 6 ILE H . . 4.130 2.342 1.875 2.925 . 0 0 "[ . 1 . 2]" 1
89 1 5 LYS HB2 1 6 ILE MD . . 5.310 4.802 4.272 5.493 0.183 14 0 "[ . 1 . 2]" 1
90 1 5 LYS HB2 1 6 ILE QG . . 5.050 3.402 2.843 4.112 . 0 0 "[ . 1 . 2]" 1
91 1 5 LYS HB3 1 6 ILE MG . . 3.820 3.281 2.499 4.157 0.337 14 0 "[ . 1 . 2]" 1
92 1 5 LYS QD 1 5 LYS HG2 . . 2.650 2.263 2.137 2.462 . 0 0 "[ . 1 . 2]" 1
93 1 5 LYS QD 1 6 ILE H . . 4.110 4.199 3.537 4.989 0.879 8 4 "[ - . + 1 *.* 2]" 1
94 1 5 LYS QD 1 6 ILE MD . . 4.870 5.438 4.600 6.740 1.870 8 9 "[* *.- + ** *. **2]" 1
95 1 5 LYS QD 1 6 ILE QG . . 4.790 4.582 3.641 5.986 1.196 8 2 "[ . + 1 -. 2]" 1
96 1 5 LYS QD 1 19 GLY QA . . 5.500 3.805 2.697 6.232 0.732 8 2 "[ . + 1 -. 2]" 1
97 1 5 LYS QE 1 5 LYS HG2 . . 3.500 2.803 2.364 3.427 . 0 0 "[ . 1 . 2]" 1
98 1 5 LYS QE 1 5 LYS HG3 . . 2.800 2.669 2.322 2.996 0.196 13 0 "[ . 1 . 2]" 1
99 1 5 LYS QE 1 6 ILE H . . 5.080 5.850 5.230 6.384 1.304 16 16 "[* ***** **** *+-***]" 1
100 1 5 LYS QE 1 19 GLY H . . 4.930 6.725 6.067 7.393 2.463 13 20 [*******-****+*******] 1
101 1 5 LYS HG2 1 6 ILE H . . 5.120 4.915 4.495 5.262 0.142 16 0 "[ . 1 . 2]" 1
102 1 5 LYS HG3 1 6 ILE MG . . 5.290 5.338 4.735 5.896 0.606 14 2 "[ -. 1 +. 2]" 1
103 1 6 ILE H 1 6 ILE HB . . 3.810 3.675 3.530 3.874 0.064 12 0 "[ . 1 . 2]" 1
104 1 6 ILE H 1 6 ILE MD . . 4.380 3.840 3.578 4.194 . 0 0 "[ . 1 . 2]" 1
105 1 6 ILE H 1 6 ILE QG . . 3.160 2.156 1.815 2.555 . 0 0 "[ . 1 . 2]" 1
106 1 6 ILE H 1 6 ILE MG . . 3.550 2.628 2.275 3.291 . 0 0 "[ . 1 . 2]" 1
107 1 6 ILE H 1 7 ILE H . . 4.770 4.542 4.391 4.673 . 0 0 "[ . 1 . 2]" 1
108 1 6 ILE H 1 17 ARG QB . . 3.740 3.757 2.918 4.820 1.080 17 3 "[ . 1 * + -2]" 1
109 1 6 ILE H 1 18 TYR H . . 3.840 3.789 3.075 4.499 0.659 15 2 "[ . 1 + - 2]" 1
110 1 6 ILE H 1 19 GLY H . . 5.500 2.731 2.162 3.303 . 0 0 "[ . 1 . 2]" 1
111 1 6 ILE H 1 19 GLY QA . . 4.670 2.584 1.703 3.911 . 0 0 "[ . 1 . 2]" 1
112 1 6 ILE HA 1 6 ILE MD . . 4.330 4.149 4.058 4.228 . 0 0 "[ . 1 . 2]" 1
113 1 6 ILE HA 1 6 ILE QG . . 3.620 3.347 3.290 3.388 . 0 0 "[ . 1 . 2]" 1
114 1 6 ILE HA 1 6 ILE MG . . 3.270 2.221 2.138 2.354 . 0 0 "[ . 1 . 2]" 1
115 1 6 ILE HA 1 7 ILE H . . 2.690 2.183 2.043 2.372 . 0 0 "[ . 1 . 2]" 1
116 1 6 ILE HA 1 7 ILE HB . . 4.670 4.016 3.790 4.240 . 0 0 "[ . 1 . 2]" 1
117 1 6 ILE HA 1 7 ILE MD . . 5.500 4.999 4.561 5.395 . 0 0 "[ . 1 . 2]" 1
118 1 6 ILE HA 1 17 ARG QG . . 4.930 3.892 3.157 5.404 0.474 17 0 "[ . 1 . 2]" 1
119 1 6 ILE HB 1 6 ILE MG . . 2.420 2.142 2.096 2.194 . 0 0 "[ . 1 . 2]" 1
120 1 6 ILE HB 1 7 ILE H . . 4.390 2.643 2.291 3.136 . 0 0 "[ . 1 . 2]" 1
121 1 6 ILE HB 1 19 GLY QA . . 5.500 4.701 4.322 5.117 . 0 0 "[ . 1 . 2]" 1
122 1 6 ILE MD 1 7 ILE H . . 4.910 4.400 3.790 5.004 0.094 5 0 "[ . 1 . 2]" 1
123 1 6 ILE MD 1 8 GLU QG . . 4.740 6.443 5.109 7.106 2.366 11 19 "[ *********+***-*****]" 1
124 1 6 ILE MD 1 11 ILE QG . . 5.500 6.641 5.961 7.424 1.924 14 19 "[ *********-**+******]" 1
125 1 6 ILE MD 1 17 ARG QB . . 5.500 5.795 5.168 6.097 0.597 17 2 "[ . 1 . + -2]" 1
126 1 6 ILE MD 1 18 TYR QD . . 4.390 3.776 3.243 4.376 . 0 0 "[ . 1 . 2]" 1
127 1 6 ILE MD 1 18 TYR QE . . 3.700 2.602 2.346 3.233 . 0 0 "[ . 1 . 2]" 1
128 1 6 ILE MD 1 19 GLY QA . . 4.080 2.989 2.199 3.513 . 0 0 "[ . 1 . 2]" 1
129 1 6 ILE QG 1 6 ILE MG . . 3.210 2.273 2.152 2.352 . 0 0 "[ . 1 . 2]" 1
130 1 6 ILE QG 1 7 ILE H . . 3.650 3.922 3.611 4.223 0.573 20 3 "[ * 1 -. +]" 1
131 1 6 ILE QG 1 7 ILE HA . . 4.960 4.869 4.632 5.096 0.136 20 0 "[ . 1 . 2]" 1
132 1 6 ILE QG 1 7 ILE HB . . 5.500 5.798 5.522 6.080 0.580 20 3 "[ - 1 *. +]" 1
133 1 6 ILE QG 1 8 GLU QB . . 5.400 5.041 4.013 5.424 0.024 8 0 "[ . 1 . 2]" 1
134 1 6 ILE QG 1 17 ARG QG . . 5.500 4.898 4.302 6.160 0.660 17 1 "[ . 1 . + 2]" 1
135 1 6 ILE QG 1 18 TYR H . . 4.160 3.334 2.533 3.635 . 0 0 "[ . 1 . 2]" 1
136 1 6 ILE QG 1 18 TYR QB . . 5.410 4.667 3.969 4.975 . 0 0 "[ . 1 . 2]" 1
137 1 6 ILE QG 1 18 TYR QD . . 3.870 2.904 2.264 3.300 . 0 0 "[ . 1 . 2]" 1
138 1 6 ILE QG 1 18 TYR QE . . 3.170 2.849 2.372 3.644 0.474 14 0 "[ . 1 . 2]" 1
139 1 6 ILE MG 1 17 ARG QB . . 5.500 5.388 4.901 5.733 0.233 15 0 "[ . 1 . 2]" 1
140 1 6 ILE MG 1 18 TYR H . . 5.150 5.397 5.000 5.683 0.533 15 1 "[ . 1 + 2]" 1
141 1 6 ILE MG 1 18 TYR QD . . 4.950 5.343 5.004 5.624 0.674 12 6 "[ ***. * 1 + . - 2]" 1
142 1 6 ILE MG 1 19 GLY H . . 4.190 4.575 4.187 4.916 0.726 15 6 "[ - . *1 * +* *]" 1
143 1 6 ILE MG 1 19 GLY QA . . 4.320 3.630 2.926 4.347 0.027 9 0 "[ . 1 . 2]" 1
144 1 7 ILE H 1 7 ILE HA . . 2.850 2.787 2.691 2.883 0.033 15 0 "[ . 1 . 2]" 1
145 1 7 ILE H 1 7 ILE HB . . 2.920 2.229 2.153 2.461 . 0 0 "[ . 1 . 2]" 1
146 1 7 ILE H 1 7 ILE MD . . 3.930 3.859 3.647 4.101 0.171 1 0 "[ . 1 . 2]" 1
147 1 7 ILE H 1 7 ILE MG . . 3.230 2.313 2.024 2.534 . 0 0 "[ . 1 . 2]" 1
148 1 7 ILE H 1 8 GLU H . . 4.630 4.604 4.467 4.701 0.071 9 0 "[ . 1 . 2]" 1
149 1 7 ILE H 1 17 ARG QB . . 5.500 4.944 4.636 5.248 . 0 0 "[ . 1 . 2]" 1
150 1 7 ILE H 1 17 ARG QD . . 5.500 5.446 4.469 6.172 0.672 19 2 "[ . 1 . +-]" 1
151 1 7 ILE HA 1 7 ILE MD . . 3.120 2.137 2.044 2.308 . 0 0 "[ . 1 . 2]" 1
152 1 7 ILE HA 1 7 ILE QG . . 3.450 2.755 2.516 2.984 . 0 0 "[ . 1 . 2]" 1
153 1 7 ILE HA 1 7 ILE MG . . 3.300 3.243 3.217 3.270 . 0 0 "[ . 1 . 2]" 1
154 1 7 ILE HA 1 8 GLU H . . 2.560 2.194 2.104 2.360 . 0 0 "[ . 1 . 2]" 1
155 1 7 ILE HA 1 10 PHE QD . . 5.180 5.592 4.957 6.991 1.811 7 9 "[* *. +- *** * *]" 1
156 1 7 ILE HA 1 17 ARG HA . . 3.580 2.348 1.989 3.082 . 0 0 "[ . 1 . 2]" 1
157 1 7 ILE HA 1 17 ARG QB . . 4.050 3.651 3.106 4.009 . 0 0 "[ . 1 . 2]" 1
158 1 7 ILE HA 1 17 ARG QD . . 4.210 3.905 2.678 4.556 0.346 19 0 "[ . 1 . 2]" 1
159 1 7 ILE HA 1 17 ARG HE . . 5.500 4.675 3.435 5.867 0.367 18 0 "[ . 1 . 2]" 1
160 1 7 ILE HA 1 17 ARG QG . . 3.040 2.210 2.015 2.610 . 0 0 "[ . 1 . 2]" 1
161 1 7 ILE HA 1 18 TYR H . . 4.680 3.996 3.671 4.487 . 0 0 "[ . 1 . 2]" 1
162 1 7 ILE HA 1 18 TYR QD . . 5.500 4.243 3.656 4.842 . 0 0 "[ . 1 . 2]" 1
163 1 7 ILE HB 1 7 ILE MD . . 2.940 2.313 2.188 2.403 . 0 0 "[ . 1 . 2]" 1
164 1 7 ILE HB 1 8 GLU H . . 4.570 4.125 3.975 4.361 . 0 0 "[ . 1 . 2]" 1
165 1 7 ILE HB 1 9 TYR QD . . 5.500 5.641 4.738 6.750 1.250 11 8 "[ - *.*** 1+* . *]" 1
166 1 7 ILE HB 1 9 TYR QE . . 5.340 7.089 5.016 8.622 3.282 11 16 "[**-***** *+* *.* ***]" 1
167 1 7 ILE MD 1 8 GLU H . . 3.420 2.756 2.248 3.141 . 0 0 "[ . 1 . 2]" 1
168 1 7 ILE MD 1 8 GLU HA . . 5.160 5.144 4.618 5.565 0.405 13 0 "[ . 1 . 2]" 1
169 1 7 ILE MD 1 8 GLU QB . . 5.320 4.366 4.053 4.626 . 0 0 "[ . 1 . 2]" 1
170 1 7 ILE MD 1 9 TYR H . . 4.180 3.116 2.465 3.844 . 0 0 "[ . 1 . 2]" 1
171 1 7 ILE MD 1 9 TYR HA . . 4.630 4.812 4.301 5.913 1.283 13 4 "[ . *1- + * 2]" 1
172 1 7 ILE MD 1 9 TYR QB . . 5.390 2.849 2.045 3.995 . 0 0 "[ . 1 . 2]" 1
173 1 7 ILE MD 1 9 TYR QD . . 3.820 3.362 2.162 4.768 0.948 11 5 "[ - . * *+ . *]" 1
174 1 7 ILE MD 1 9 TYR QE . . 4.350 4.764 2.560 6.282 1.932 11 9 "[ * .-** *+* . * *]" 1
175 1 7 ILE MD 1 15 VAL H . . 5.500 6.403 5.577 7.359 1.859 15 16 "[*** *** *1-* *+*****]" 1
176 1 7 ILE MD 1 16 GLY H . . 5.450 4.692 4.026 5.225 . 0 0 "[ . 1 . 2]" 1
177 1 7 ILE MD 1 17 ARG QD . . 5.050 3.156 2.253 4.173 . 0 0 "[ . 1 . 2]" 1
178 1 7 ILE MD 1 17 ARG HE . . 5.500 3.864 2.498 5.478 . 0 0 "[ . 1 . 2]" 1
179 1 7 ILE MD 1 17 ARG QG . . 5.020 2.414 2.039 3.479 . 0 0 "[ . 1 . 2]" 1
180 1 7 ILE QG 1 7 ILE MG . . 2.900 2.080 1.957 2.151 . 0 0 "[ . 1 . 2]" 1
181 1 7 ILE QG 1 8 GLU H . . 4.320 2.431 2.106 3.392 . 0 0 "[ . 1 . 2]" 1
182 1 7 ILE QG 1 9 TYR QD . . 4.620 3.088 2.186 4.117 . 0 0 "[ . 1 . 2]" 1
183 1 7 ILE QG 1 9 TYR QE . . 5.500 4.503 2.566 5.815 0.315 11 0 "[ . 1 . 2]" 1
184 1 7 ILE QG 1 10 PHE QB . . 5.120 4.544 3.106 5.875 0.755 11 1 "[ . 1+ . 2]" 1
185 1 7 ILE QG 1 10 PHE QD . . 5.500 3.628 2.621 4.723 . 0 0 "[ . 1 . 2]" 1
186 1 7 ILE QG 1 16 GLY H . . 5.500 5.387 4.406 6.462 0.962 6 3 "[* -+ 1 . 2]" 1
187 1 7 ILE MG 1 8 GLU H . . 3.900 3.652 3.237 4.143 0.243 5 0 "[ . 1 . 2]" 1
188 1 7 ILE MG 1 8 GLU HA . . 3.710 3.954 3.582 4.421 0.711 5 2 "[- + 1 . 2]" 1
189 1 7 ILE MG 1 9 TYR H . . 4.390 3.803 2.593 4.556 0.166 17 0 "[ . 1 . 2]" 1
190 1 7 ILE MG 1 9 TYR QB . . 5.500 4.114 2.485 5.596 0.096 17 0 "[ . 1 . 2]" 1
191 1 7 ILE MG 1 10 PHE H . . 5.500 3.695 3.007 5.027 . 0 0 "[ . 1 . 2]" 1
192 1 7 ILE MG 1 10 PHE HA . . 5.500 5.825 5.003 7.323 1.823 1 7 "[+ - . * *1 *** 2]" 1
193 1 7 ILE MG 1 10 PHE QB . . 3.410 4.069 2.876 5.573 2.163 1 13 "[+ * . *-**** *** **]" 1
194 1 7 ILE MG 1 10 PHE QD . . 3.810 2.864 2.413 3.734 . 0 0 "[ . 1 . 2]" 1
195 1 8 GLU H 1 8 GLU QB . . 2.810 2.426 2.228 2.601 . 0 0 "[ . 1 . 2]" 1
196 1 8 GLU H 1 9 TYR H . . 3.570 2.034 1.717 2.359 . 0 0 "[ . 1 . 2]" 1
197 1 8 GLU H 1 9 TYR QD . . 5.500 4.982 3.757 5.983 0.483 12 0 "[ . 1 . 2]" 1
198 1 8 GLU H 1 16 GLY H . . 5.050 4.465 3.897 5.570 0.520 6 1 "[ .+ 1 . 2]" 1
199 1 8 GLU H 1 17 ARG H . . 4.550 4.406 4.165 4.620 0.070 9 0 "[ . 1 . 2]" 1
200 1 8 GLU H 1 17 ARG HA . . 3.250 2.381 2.103 2.769 . 0 0 "[ . 1 . 2]" 1
201 1 8 GLU H 1 17 ARG QB . . 5.500 4.427 4.174 4.837 . 0 0 "[ . 1 . 2]" 1
202 1 8 GLU H 1 17 ARG QD . . 5.080 4.783 3.532 5.839 0.759 15 2 "[ . - 1 + 2]" 1
203 1 8 GLU H 1 17 ARG QG . . 3.620 3.543 2.792 4.263 0.643 14 1 "[ . 1 +. 2]" 1
204 1 8 GLU H 1 18 TYR H . . 5.210 4.393 4.044 4.858 . 0 0 "[ . 1 . 2]" 1
205 1 8 GLU H 1 18 TYR QD . . 5.050 4.068 3.122 4.802 . 0 0 "[ . 1 . 2]" 1
206 1 8 GLU H 1 18 TYR QE . . 5.500 5.323 4.500 6.362 0.862 14 1 "[ . 1 +. 2]" 1
207 1 8 GLU HA 1 8 GLU QG . . 3.270 2.399 2.189 2.524 . 0 0 "[ . 1 . 2]" 1
208 1 8 GLU HA 1 9 TYR HA . . 5.210 4.906 4.674 5.179 . 0 0 "[ . 1 . 2]" 1
209 1 8 GLU HA 1 10 PHE QD . . 5.500 3.472 2.372 5.021 . 0 0 "[ . 1 . 2]" 1
210 1 8 GLU HA 1 10 PHE QE . . 3.900 3.078 2.250 4.871 0.971 12 1 "[ . 1 + . 2]" 1
211 1 8 GLU HA 1 18 TYR QD . . 4.080 3.424 2.640 4.371 0.291 16 0 "[ . 1 . 2]" 1
212 1 8 GLU HA 1 18 TYR QE . . 3.960 3.885 3.217 4.695 0.735 14 1 "[ . 1 +. 2]" 1
213 1 8 GLU QB 1 9 TYR H . . 3.750 3.126 2.848 3.579 . 0 0 "[ . 1 . 2]" 1
214 1 8 GLU QB 1 10 PHE QD . . 4.960 5.105 4.361 6.219 1.259 12 5 "[- . * 1*+ . *]" 1
215 1 8 GLU QB 1 10 PHE QE . . 4.540 4.915 4.153 6.367 1.827 12 9 "[* *- ** 1*+ * *]" 1
216 1 8 GLU QB 1 16 GLY H . . 4.770 3.516 2.329 4.774 0.004 6 0 "[ . 1 . 2]" 1
217 1 8 GLU QB 1 17 ARG H . . 5.180 3.758 3.210 4.665 . 0 0 "[ . 1 . 2]" 1
218 1 8 GLU QB 1 17 ARG HA . . 3.650 2.692 2.092 3.302 . 0 0 "[ . 1 . 2]" 1
219 1 8 GLU QB 1 18 TYR H . . 4.150 3.364 2.958 3.875 . 0 0 "[ . 1 . 2]" 1
220 1 8 GLU QB 1 18 TYR QB . . 3.140 2.359 2.075 2.871 . 0 0 "[ . 1 . 2]" 1
221 1 8 GLU QB 1 18 TYR QD . . 3.040 2.565 2.196 3.347 0.307 8 0 "[ . 1 . 2]" 1
222 1 8 GLU QB 1 18 TYR QE . . 3.940 4.229 3.620 5.192 1.252 8 5 "[ - . + 1* **. 2]" 1
223 1 8 GLU QG 1 9 TYR H . . 4.920 4.126 3.704 4.618 . 0 0 "[ . 1 . 2]" 1
224 1 8 GLU QG 1 10 PHE QE . . 4.710 4.667 3.640 6.150 1.440 12 3 "[ . 1*+ . -]" 1
225 1 8 GLU QG 1 11 ILE MD . . 4.430 2.847 2.334 3.510 . 0 0 "[ . 1 . 2]" 1
226 1 8 GLU QG 1 12 GLY QA . . 5.360 2.657 2.068 4.057 . 0 0 "[ . 1 . 2]" 1
227 1 8 GLU QG 1 16 GLY H . . 5.500 4.635 3.460 5.661 0.161 15 0 "[ . 1 . 2]" 1
228 1 8 GLU QG 1 18 TYR H . . 5.500 5.268 4.406 5.718 0.218 19 0 "[ . 1 . 2]" 1
229 1 8 GLU QG 1 18 TYR QB . . 4.260 3.173 2.266 3.967 . 0 0 "[ . 1 . 2]" 1
230 1 8 GLU QG 1 18 TYR QD . . 3.900 3.747 2.937 4.232 0.332 11 0 "[ . 1 . 2]" 1
231 1 8 GLU QG 1 18 TYR QE . . 4.380 4.586 3.450 5.392 1.012 14 6 "[ - * 1* +. * *]" 1
232 1 9 TYR H 1 9 TYR QB . . 3.260 2.109 1.936 2.497 . 0 0 "[ . 1 . 2]" 1
233 1 9 TYR H 1 9 TYR QD . . 3.460 3.602 2.679 4.202 0.742 12 9 "[ * .-** **+ . * *]" 1
234 1 9 TYR H 1 9 TYR QE . . 5.040 5.704 4.686 6.226 1.186 12 12 "[ * *-*** **+ . ***]" 1
235 1 9 TYR H 1 10 PHE H . . 3.960 3.224 2.841 3.715 . 0 0 "[ . 1 . 2]" 1
236 1 9 TYR H 1 16 GLY H . . 5.200 3.997 3.156 5.018 . 0 0 "[ . 1 . 2]" 1
237 1 9 TYR H 1 17 ARG QG . . 5.460 4.935 4.138 5.661 0.201 11 0 "[ . 1 . 2]" 1
238 1 9 TYR HA 1 9 TYR QD . . 3.720 3.155 2.341 3.786 0.066 15 0 "[ . 1 . 2]" 1
239 1 9 TYR HA 1 9 TYR QE . . 5.500 5.098 4.502 5.708 0.208 15 0 "[ . 1 . 2]" 1
240 1 9 TYR HA 1 10 PHE H . . 3.390 3.568 3.401 3.699 0.309 4 0 "[ . 1 . 2]" 1
241 1 9 TYR HA 1 13 GLY QA . . 5.500 4.670 3.032 5.989 0.489 20 0 "[ . 1 . 2]" 1
242 1 9 TYR HA 1 14 GLY H . . 5.500 4.508 3.358 5.255 . 0 0 "[ . 1 . 2]" 1
243 1 9 TYR HA 1 14 GLY QA . . 4.020 3.772 2.152 5.114 1.094 8 3 "[ . + 1 - . *2]" 1
244 1 9 TYR HA 1 15 VAL HB . . 5.500 4.962 3.447 6.483 0.983 20 3 "[ . - 1 * . +]" 1
245 1 9 TYR HA 1 15 VAL QG . . 3.870 4.842 4.057 5.898 2.028 8 16 "[** ****+******- * *]" 1
246 1 9 TYR HA 1 16 GLY H . . 5.500 3.672 2.625 5.050 . 0 0 "[ . 1 . 2]" 1
247 1 9 TYR QB 1 9 TYR QD . . 2.880 2.157 2.087 2.225 . 0 0 "[ . 1 . 2]" 1
248 1 9 TYR QB 1 10 PHE H . . 4.750 2.973 2.181 3.723 . 0 0 "[ . 1 . 2]" 1
249 1 9 TYR QB 1 15 VAL QG . . 4.900 5.280 4.158 6.535 1.635 8 9 "[ * -.**+ *** . *]" 1
250 1 9 TYR QD 1 10 PHE H . . 3.400 3.039 2.318 3.963 0.563 6 1 "[ .+ 1 . 2]" 1
251 1 9 TYR QD 1 10 PHE HA . . 3.870 3.777 2.889 4.371 0.501 1 1 "[+ . 1 . 2]" 1
252 1 9 TYR QD 1 10 PHE QB . . 2.880 3.545 2.523 4.258 1.378 6 14 "[*****+* *1- **** *2]" 1
253 1 9 TYR QD 1 14 GLY H . . 5.500 4.995 4.212 6.508 1.008 20 1 "[ . 1 . +]" 1
254 1 9 TYR QD 1 14 GLY QA . . 3.540 2.876 2.133 4.257 0.717 8 2 "[ . + 1 - 2]" 1
255 1 9 TYR QD 1 15 VAL H . . 4.990 4.727 3.708 5.794 0.804 9 3 "[ . +1 * -]" 1
256 1 9 TYR QD 1 15 VAL HA . . 5.500 6.588 5.232 7.776 2.276 13 17 "[*** * *****+*****-*]" 1
257 1 9 TYR QE 1 10 PHE QB . . 4.500 4.320 3.140 6.078 1.578 6 5 "[ * *.+* 1- . 2]" 1
258 1 9 TYR QE 1 14 GLY QA . . 5.370 4.089 2.513 5.772 0.402 15 0 "[ . 1 . 2]" 1
259 1 10 PHE H 1 10 PHE QB . . 3.480 2.309 2.096 2.678 . 0 0 "[ . 1 . 2]" 1
260 1 10 PHE H 1 10 PHE QD . . 4.000 2.041 1.729 2.907 . 0 0 "[ . 1 . 2]" 1
261 1 10 PHE H 1 11 ILE H . . 3.870 2.879 2.624 3.150 . 0 0 "[ . 1 . 2]" 1
262 1 10 PHE HA 1 11 ILE H . . 3.420 3.451 3.351 3.581 0.161 19 0 "[ . 1 . 2]" 1
263 1 10 PHE HA 1 11 ILE MG . . 5.500 4.538 4.295 4.975 . 0 0 "[ . 1 . 2]" 1
264 1 10 PHE QB 1 11 ILE H . . 4.570 3.746 3.511 3.939 . 0 0 "[ . 1 . 2]" 1
265 1 10 PHE QB 1 11 ILE MG . . 4.810 3.736 3.403 4.040 . 0 0 "[ . 1 . 2]" 1
266 1 10 PHE QD 1 11 ILE HB . . 5.500 5.263 4.497 5.636 0.136 3 0 "[ . 1 . 2]" 1
267 1 10 PHE QD 1 11 ILE MD . . 4.570 4.281 3.634 4.986 0.416 12 0 "[ . 1 . 2]" 1
268 1 10 PHE QD 1 11 ILE QG . . 5.500 3.222 2.347 4.448 . 0 0 "[ . 1 . 2]" 1
269 1 10 PHE QE 1 11 ILE H . . 5.370 4.283 3.859 4.863 . 0 0 "[ . 1 . 2]" 1
270 1 10 PHE QE 1 11 ILE MD . . 3.850 3.276 2.562 4.370 0.520 12 1 "[ . 1 + . 2]" 1
271 1 10 PHE QE 1 11 ILE QG . . 4.520 3.033 2.448 4.487 . 0 0 "[ . 1 . 2]" 1
272 1 10 PHE QE 1 11 ILE MG . . 3.190 2.894 2.429 3.648 0.458 7 0 "[ . 1 . 2]" 1
273 1 11 ILE H 1 11 ILE HB . . 3.980 3.783 3.661 3.860 . 0 0 "[ . 1 . 2]" 1
274 1 11 ILE H 1 11 ILE MD . . 5.210 3.954 3.800 4.076 . 0 0 "[ . 1 . 2]" 1
275 1 11 ILE H 1 11 ILE QG . . 4.130 2.245 2.091 2.381 . 0 0 "[ . 1 . 2]" 1
276 1 11 ILE H 1 11 ILE MG . . 3.670 3.072 2.802 3.392 . 0 0 "[ . 1 . 2]" 1
277 1 11 ILE H 1 12 GLY H . . 3.980 2.126 1.837 3.453 . 0 0 "[ . 1 . 2]" 1
278 1 11 ILE HA 1 11 ILE MD . . 4.360 4.176 4.113 4.242 . 0 0 "[ . 1 . 2]" 1
279 1 11 ILE HA 1 11 ILE QG . . 3.840 3.336 3.293 3.371 . 0 0 "[ . 1 . 2]" 1
280 1 11 ILE HA 1 11 ILE MG . . 3.000 2.218 2.107 2.372 . 0 0 "[ . 1 . 2]" 1
281 1 11 ILE HA 1 12 GLY H . . 3.650 3.232 2.063 3.533 . 0 0 "[ . 1 . 2]" 1
282 1 11 ILE HB 1 11 ILE MD . . 3.340 2.356 2.229 2.487 . 0 0 "[ . 1 . 2]" 1
283 1 11 ILE HB 1 12 GLY H . . 4.550 4.150 3.708 4.500 . 0 0 "[ . 1 . 2]" 1
284 1 11 ILE HB 1 12 GLY QA . . 4.600 4.415 4.102 4.666 0.066 15 0 "[ . 1 . 2]" 1
285 1 11 ILE MD 1 12 GLY H . . 5.220 4.660 3.992 5.288 0.068 1 0 "[ . 1 . 2]" 1
286 1 11 ILE MD 1 18 TYR QB . . 5.500 4.678 3.114 5.601 0.101 19 0 "[ . 1 . 2]" 1
287 1 11 ILE MD 1 18 TYR QE . . 5.140 3.793 2.487 5.036 . 0 0 "[ . 1 . 2]" 1
288 1 11 ILE QG 1 12 GLY H . . 5.500 3.035 2.220 4.398 . 0 0 "[ . 1 . 2]" 1
289 1 11 ILE QG 1 18 TYR QE . . 5.500 4.842 4.196 5.943 0.443 14 0 "[ . 1 . 2]" 1
290 1 12 GLY H 1 13 GLY H . . 3.450 2.836 1.774 3.759 0.309 13 0 "[ . 1 . 2]" 1
291 1 12 GLY QA 1 13 GLY H . . 3.670 2.613 2.143 3.005 . 0 0 "[ . 1 . 2]" 1
292 1 13 GLY H 1 14 GLY H . . 2.890 3.822 1.971 4.293 1.403 14 18 "[*******- *** +******]" 1
293 1 13 GLY H 1 15 VAL QG . . 4.740 4.811 4.028 5.698 0.958 20 4 "[ . **-1 . +]" 1
294 1 13 GLY QA 1 14 GLY H . . 3.710 2.353 2.112 2.981 . 0 0 "[ . 1 . 2]" 1
295 1 14 GLY H 1 14 GLY QA . . 2.750 2.461 2.281 2.541 . 0 0 "[ . 1 . 2]" 1
296 1 14 GLY H 1 15 VAL H . . 3.420 2.369 1.750 3.609 0.189 10 0 "[ . 1 . 2]" 1
297 1 14 GLY H 1 15 VAL QG . . 3.720 2.824 2.366 3.280 . 0 0 "[ . 1 . 2]" 1
298 1 14 GLY QA 1 15 VAL H . . 2.960 2.775 2.285 3.039 0.079 9 0 "[ . 1 . 2]" 1
299 1 14 GLY QA 1 15 VAL HA . . 5.500 4.097 4.000 4.210 . 0 0 "[ . 1 . 2]" 1
300 1 14 GLY QA 1 15 VAL QG . . 4.390 3.828 3.413 4.142 . 0 0 "[ . 1 . 2]" 1
301 1 15 VAL H 1 15 VAL HB . . 3.550 2.650 2.335 2.934 . 0 0 "[ . 1 . 2]" 1
302 1 15 VAL H 1 15 VAL QG . . 2.910 2.322 1.821 3.015 0.105 10 0 "[ . 1 . 2]" 1
303 1 15 VAL H 1 16 GLY H . . 3.650 2.693 1.994 3.284 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL HA 1 15 VAL QG . . 3.140 2.112 2.025 2.175 . 0 0 "[ . 1 . 2]" 1
305 1 15 VAL HA 1 16 GLY QA . . 5.500 4.201 3.892 4.293 . 0 0 "[ . 1 . 2]" 1
306 1 15 VAL HB 1 16 GLY H . . 3.700 2.746 2.034 4.206 0.506 6 1 "[ .+ 1 . 2]" 1
307 1 15 VAL QG 1 16 GLY H . . 3.110 3.214 2.600 3.725 0.615 6 1 "[ .+ 1 . 2]" 1
308 1 15 VAL QG 1 16 GLY QA . . 3.830 3.563 3.013 4.161 0.331 6 0 "[ . 1 . 2]" 1
309 1 16 GLY H 1 18 TYR QB . . 5.500 6.458 5.900 7.891 2.391 6 18 "[****.+* ***-********]" 1
310 1 16 GLY QA 1 17 ARG H . . 3.040 2.182 2.042 2.308 . 0 0 "[ . 1 . 2]" 1
311 1 16 GLY QA 1 17 ARG QD . . 4.410 3.200 2.292 4.872 0.462 16 0 "[ . 1 . 2]" 1
312 1 17 ARG H 1 17 ARG QB . . 3.250 2.437 2.126 2.651 . 0 0 "[ . 1 . 2]" 1
313 1 17 ARG H 1 17 ARG QD . . 4.780 3.179 2.442 4.600 . 0 0 "[ . 1 . 2]" 1
314 1 17 ARG H 1 17 ARG QG . . 4.250 3.410 2.645 3.910 . 0 0 "[ . 1 . 2]" 1
315 1 17 ARG H 1 18 TYR H . . 5.500 4.465 4.366 4.582 . 0 0 "[ . 1 . 2]" 1
316 1 17 ARG HA 1 17 ARG QD . . 4.280 3.618 2.661 4.047 . 0 0 "[ . 1 . 2]" 1
317 1 17 ARG HA 1 17 ARG QG . . 3.870 2.367 2.223 2.604 . 0 0 "[ . 1 . 2]" 1
318 1 17 ARG HA 1 18 TYR H . . 2.980 2.470 2.282 2.627 . 0 0 "[ . 1 . 2]" 1
319 1 17 ARG HA 1 18 TYR QD . . 4.590 3.476 2.896 4.098 . 0 0 "[ . 1 . 2]" 1
320 1 17 ARG QB 1 17 ARG HE . . 4.820 3.509 2.137 4.508 . 0 0 "[ . 1 . 2]" 1
321 1 17 ARG QB 1 18 TYR H . . 3.000 2.197 1.976 2.511 . 0 0 "[ . 1 . 2]" 1
322 1 17 ARG QB 1 18 TYR QD . . 5.500 4.268 3.916 4.730 . 0 0 "[ . 1 . 2]" 1
323 1 17 ARG QB 1 19 GLY QA . . 5.500 4.621 4.269 5.026 . 0 0 "[ . 1 . 2]" 1
324 1 17 ARG QD 1 18 TYR H . . 4.790 4.813 4.017 5.175 0.385 19 0 "[ . 1 . 2]" 1
325 1 17 ARG HE 1 17 ARG QG . . 3.910 2.443 2.136 3.310 . 0 0 "[ . 1 . 2]" 1
326 1 17 ARG QG 1 18 TYR H . . 4.260 3.633 3.421 4.155 . 0 0 "[ . 1 . 2]" 1
327 1 18 TYR H 1 18 TYR QB . . 3.740 3.137 2.854 3.290 . 0 0 "[ . 1 . 2]" 1
328 1 18 TYR H 1 18 TYR QD . . 3.410 2.437 2.088 2.797 . 0 0 "[ . 1 . 2]" 1
329 1 18 TYR H 1 18 TYR QE . . 5.500 4.517 4.076 4.889 . 0 0 "[ . 1 . 2]" 1
330 1 18 TYR H 1 19 GLY H . . 5.500 1.928 1.739 2.532 . 0 0 "[ . 1 . 2]" 1
331 1 18 TYR H 1 19 GLY QA . . 5.500 3.887 3.686 4.327 . 0 0 "[ . 1 . 2]" 1
332 1 18 TYR HA 1 18 TYR QD . . 4.180 3.748 3.665 3.799 . 0 0 "[ . 1 . 2]" 1
333 1 18 TYR HA 1 18 TYR QE . . 5.500 5.701 5.651 5.765 0.265 17 0 "[ . 1 . 2]" 1
334 1 18 TYR HA 1 19 GLY H . . 3.100 3.383 3.122 3.580 0.480 2 0 "[ . 1 . 2]" 1
335 1 18 TYR QB 1 18 TYR QD . . 2.820 2.175 2.109 2.284 . 0 0 "[ . 1 . 2]" 1
336 1 18 TYR QB 1 19 GLY QA . . 5.100 4.394 4.149 4.599 . 0 0 "[ . 1 . 2]" 1
337 1 18 TYR QD 1 19 GLY H . . 3.940 3.185 2.066 4.267 0.327 5 0 "[ . 1 . 2]" 1
338 1 18 TYR QD 1 19 GLY QA . . 4.360 3.904 3.463 4.225 . 0 0 "[ . 1 . 2]" 1
339 1 18 TYR QE 1 19 GLY QA . . 5.500 4.443 4.025 4.902 . 0 0 "[ . 1 . 2]" 1
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