NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449637 |
2p5j   |
7388 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2p5j
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 569
_Distance_constraint_stats_list.Viol_count 932
_Distance_constraint_stats_list.Viol_total 1429.185
_Distance_constraint_stats_list.Viol_max 0.695
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0767
_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 LEU 10.133 0.426 17 0 "[ . 1 . 2]"
1 2 GLY 6.827 0.426 17 0 "[ . 1 . 2]"
1 3 ARG 10.469 0.521 9 1 "[ . +1 . 2]"
1 4 VAL 6.363 0.528 1 2 "[+ . -1 . 2]"
1 5 ASP 0.708 0.528 1 1 "[+ . 1 . 2]"
1 6 ILE 4.202 0.188 20 0 "[ . 1 . 2]"
1 7 HIS 3.018 0.294 12 0 "[ . 1 . 2]"
1 8 VAL 0.453 0.057 11 0 "[ . 1 . 2]"
1 9 TRP 4.958 0.597 11 2 "[ - 1+ . 2]"
1 10 ASP 4.928 0.254 13 0 "[ . 1 . 2]"
1 11 GLY 3.288 0.254 13 0 "[ . 1 . 2]"
1 12 VAL 5.996 0.515 17 1 "[ . 1 . + 2]"
1 13 TYR 14.170 0.695 9 2 "[ . +1 . - 2]"
1 14 ILE 2.937 0.695 9 1 "[ . +1 . 2]"
1 15 ARG 10.356 0.600 15 4 "[ *. * 1 + -]"
1 16 GLY 6.083 0.600 15 4 "[ *. * 1 + -]"
1 17 ARG 10.428 0.313 3 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 1 LEU H1 1 1 LEU HA . . 2.950 2.850 2.275 2.947 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU H1 1 1 LEU HB2 . . 4.160 2.767 2.223 3.843 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU H1 1 1 LEU QB . . 3.380 2.504 2.200 3.234 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU H1 1 1 LEU HB3 . . 4.160 3.337 2.348 4.067 . 0 0 "[ . 1 . 2]" 1
5 1 1 LEU H1 1 1 LEU MD1 . . 4.850 3.608 2.094 4.524 . 0 0 "[ . 1 . 2]" 1
6 1 1 LEU H1 1 1 LEU QD . . 3.860 3.062 2.011 3.921 0.061 19 0 "[ . 1 . 2]" 1
7 1 1 LEU H1 1 1 LEU MD2 . . 4.850 3.833 2.016 4.886 0.036 2 0 "[ . 1 . 2]" 1
8 1 1 LEU H1 1 1 LEU HG . . 4.700 3.667 2.182 4.954 0.254 16 0 "[ . 1 . 2]" 1
9 1 1 LEU H1 1 2 GLY H . . 4.640 3.508 1.963 4.598 . 0 0 "[ . 1 . 2]" 1
10 1 1 LEU HA 1 1 LEU HB2 . . 2.950 2.820 2.378 3.012 0.062 14 0 "[ . 1 . 2]" 1
11 1 1 LEU HA 1 1 LEU QB . . 2.530 2.392 2.164 2.491 . 0 0 "[ . 1 . 2]" 1
12 1 1 LEU HA 1 1 LEU HB3 . . 2.950 2.643 2.388 3.008 0.058 12 0 "[ . 1 . 2]" 1
13 1 1 LEU HA 1 1 LEU MD1 . . 3.920 3.290 2.135 4.089 0.169 17 0 "[ . 1 . 2]" 1
14 1 1 LEU HA 1 1 LEU QD . . 3.460 2.576 2.001 3.385 . 0 0 "[ . 1 . 2]" 1
15 1 1 LEU HA 1 1 LEU MD2 . . 3.920 3.014 2.007 4.052 0.132 1 0 "[ . 1 . 2]" 1
16 1 1 LEU HA 1 1 LEU HG . . 3.690 2.942 2.266 3.703 0.013 17 0 "[ . 1 . 2]" 1
17 1 1 LEU HA 1 2 GLY H . . 3.570 2.713 2.143 3.575 0.005 19 0 "[ . 1 . 2]" 1
18 1 1 LEU HA 1 2 GLY HA2 . . 4.860 4.547 4.330 5.014 0.154 19 0 "[ . 1 . 2]" 1
19 1 1 LEU HA 1 2 GLY QA . . 4.430 4.037 3.896 4.323 . 0 0 "[ . 1 . 2]" 1
20 1 1 LEU HA 1 2 GLY HA3 . . 4.860 4.561 4.308 5.277 0.417 1 0 "[ . 1 . 2]" 1
21 1 1 LEU QB 1 1 LEU MD1 . . 2.240 2.102 1.938 2.273 0.033 12 0 "[ . 1 . 2]" 1
22 1 1 LEU QB 1 1 LEU QD . . 2.020 1.878 1.786 2.006 . 0 0 "[ . 1 . 2]" 1
23 1 1 LEU QB 1 1 LEU MD2 . . 2.240 2.128 1.986 2.322 0.082 9 0 "[ . 1 . 2]" 1
24 1 1 LEU QB 1 1 LEU HG . . 2.530 2.391 2.168 2.474 . 0 0 "[ . 1 . 2]" 1
25 1 1 LEU QB 1 2 GLY H . . 3.870 3.237 2.056 4.039 0.169 20 0 "[ . 1 . 2]" 1
26 1 1 LEU QB 1 2 GLY QA . . 4.370 3.905 3.463 4.449 0.079 17 0 "[ . 1 . 2]" 1
27 1 1 LEU HB2 1 1 LEU MD1 . . 3.120 2.319 1.992 3.187 0.067 16 0 "[ . 1 . 2]" 1
28 1 1 LEU HB2 1 1 LEU QD . . 2.240 2.116 1.970 2.321 0.081 9 0 "[ . 1 . 2]" 1
29 1 1 LEU HB2 1 1 LEU MD2 . . 3.120 2.791 2.262 3.193 0.073 10 0 "[ . 1 . 2]" 1
30 1 1 LEU HB2 1 1 LEU HG . . 2.980 2.713 2.413 3.015 0.035 15 0 "[ . 1 . 2]" 1
31 1 1 LEU HB2 1 2 GLY H . . 4.150 4.008 2.442 4.558 0.408 6 0 "[ . 1 . 2]" 1
32 1 1 LEU HB3 1 1 LEU MD1 . . 3.120 2.736 2.236 3.184 0.064 15 0 "[ . 1 . 2]" 1
33 1 1 LEU HB3 1 1 LEU QD . . 2.240 2.110 2.001 2.219 . 0 0 "[ . 1 . 2]" 1
34 1 1 LEU HB3 1 1 LEU MD2 . . 3.120 2.332 2.056 3.196 0.076 9 0 "[ . 1 . 2]" 1
35 1 1 LEU HB3 1 1 LEU HG . . 2.980 2.751 2.434 3.019 0.039 14 0 "[ . 1 . 2]" 1
36 1 1 LEU HB3 1 2 GLY H . . 4.150 3.546 2.070 4.576 0.426 17 0 "[ . 1 . 2]" 1
37 1 1 LEU MD1 1 1 LEU MD2 . . 2.090 2.037 1.957 2.092 0.002 14 0 "[ . 1 . 2]" 1
38 1 1 LEU QD 1 1 LEU HG . . 1.890 1.878 1.864 1.890 . 14 0 "[ . 1 . 2]" 1
39 1 1 LEU QD 1 2 GLY H . . 4.450 3.570 2.379 4.477 0.027 6 0 "[ . 1 . 2]" 1
40 1 1 LEU QD 1 2 GLY QA . . 4.980 4.207 2.568 5.144 0.164 6 0 "[ . 1 . 2]" 1
41 1 1 LEU MD1 1 1 LEU HG . . 2.120 2.105 2.083 2.126 0.006 2 0 "[ . 1 . 2]" 1
42 1 1 LEU MD2 1 1 LEU HG . . 2.120 2.112 2.083 2.128 0.008 10 0 "[ . 1 . 2]" 1
43 1 2 GLY H 1 2 GLY HA2 . . 2.950 2.656 2.295 2.954 0.004 9 0 "[ . 1 . 2]" 1
44 1 2 GLY H 1 2 GLY QA . . 2.480 2.376 2.194 2.502 0.022 3 0 "[ . 1 . 2]" 1
45 1 2 GLY H 1 2 GLY HA3 . . 2.950 2.780 2.295 2.950 0.000 13 0 "[ . 1 . 2]" 1
46 1 2 GLY H 1 3 ARG H . . 4.610 4.448 4.321 4.635 0.025 7 0 "[ . 1 . 2]" 1
47 1 2 GLY QA 1 3 ARG H . . 2.850 2.256 2.250 2.260 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLY QA 1 3 ARG HA . . 4.540 3.948 3.936 3.980 . 0 0 "[ . 1 . 2]" 1
49 1 2 GLY QA 1 3 ARG QB . . 4.370 4.204 4.078 4.284 . 0 0 "[ . 1 . 2]" 1
50 1 2 GLY HA2 1 3 ARG H . . 3.560 2.570 2.384 2.759 . 0 0 "[ . 1 . 2]" 1
51 1 2 GLY HA2 1 3 ARG HA . . 4.950 4.390 4.287 4.510 . 0 0 "[ . 1 . 2]" 1
52 1 2 GLY HA3 1 3 ARG H . . 3.560 2.570 2.384 2.760 . 0 0 "[ . 1 . 2]" 1
53 1 2 GLY HA3 1 3 ARG HA . . 4.950 4.487 4.355 4.717 . 0 0 "[ . 1 . 2]" 1
54 1 3 ARG H 1 3 ARG HA . . 2.950 2.901 2.773 2.949 . 0 0 "[ . 1 . 2]" 1
55 1 3 ARG H 1 3 ARG QB . . 3.280 2.604 2.327 2.874 . 0 0 "[ . 1 . 2]" 1
56 1 3 ARG H 1 3 ARG HD2 . . 5.640 4.423 1.955 5.437 . 0 0 "[ . 1 . 2]" 1
57 1 3 ARG H 1 3 ARG QD . . 5.280 3.910 1.903 4.745 . 0 0 "[ . 1 . 2]" 1
58 1 3 ARG H 1 3 ARG HD3 . . 5.640 4.523 2.621 5.459 . 0 0 "[ . 1 . 2]" 1
59 1 3 ARG H 1 3 ARG HE . . 7.260 4.755 3.281 6.064 . 0 0 "[ . 1 . 2]" 1
60 1 3 ARG H 1 3 ARG HG2 . . 4.950 3.180 2.027 4.110 . 0 0 "[ . 1 . 2]" 1
61 1 3 ARG H 1 3 ARG QG . . 4.260 2.607 2.010 2.957 . 0 0 "[ . 1 . 2]" 1
62 1 3 ARG H 1 3 ARG HG3 . . 4.950 3.145 2.108 3.964 . 0 0 "[ . 1 . 2]" 1
63 1 3 ARG H 1 3 ARG QH1 . . 7.230 5.708 3.288 6.809 . 0 0 "[ . 1 . 2]" 1
64 1 3 ARG H 1 3 ARG QH2 . . 8.440 6.257 5.056 7.404 . 0 0 "[ . 1 . 2]" 1
65 1 3 ARG H 1 4 VAL H . . 4.630 4.520 4.378 4.645 0.015 20 0 "[ . 1 . 2]" 1
66 1 3 ARG HA 1 3 ARG QB . . 2.540 2.332 2.292 2.435 . 0 0 "[ . 1 . 2]" 1
67 1 3 ARG HA 1 3 ARG HD2 . . 5.400 3.989 2.332 4.925 . 0 0 "[ . 1 . 2]" 1
68 1 3 ARG HA 1 3 ARG QD . . 4.430 3.328 2.165 4.187 . 0 0 "[ . 1 . 2]" 1
69 1 3 ARG HA 1 3 ARG HD3 . . 5.400 3.765 2.209 4.839 . 0 0 "[ . 1 . 2]" 1
70 1 3 ARG HA 1 3 ARG HE . . 6.480 4.500 1.972 5.813 . 0 0 "[ . 1 . 2]" 1
71 1 3 ARG HA 1 3 ARG HG2 . . 3.980 2.862 2.503 3.628 . 0 0 "[ . 1 . 2]" 1
72 1 3 ARG HA 1 3 ARG QG . . 3.400 2.622 2.285 3.048 . 0 0 "[ . 1 . 2]" 1
73 1 3 ARG HA 1 3 ARG HG3 . . 3.980 3.415 2.315 3.844 . 0 0 "[ . 1 . 2]" 1
74 1 3 ARG HA 1 3 ARG QH1 . . 6.580 5.071 3.814 6.146 . 0 0 "[ . 1 . 2]" 1
75 1 3 ARG HA 1 3 ARG QH2 . . 7.490 5.944 3.321 6.989 . 0 0 "[ . 1 . 2]" 1
76 1 3 ARG HA 1 4 VAL H . . 3.560 2.374 2.241 2.594 . 0 0 "[ . 1 . 2]" 1
77 1 3 ARG HA 1 4 VAL QG . . 4.850 3.537 3.287 3.737 . 0 0 "[ . 1 . 2]" 1
78 1 3 ARG QB 1 3 ARG HD2 . . 3.340 2.613 2.124 3.347 0.007 11 0 "[ . 1 . 2]" 1
79 1 3 ARG QB 1 3 ARG QD . . 2.260 2.167 2.048 2.602 0.342 15 0 "[ . 1 . 2]" 1
80 1 3 ARG QB 1 3 ARG HD3 . . 3.340 2.585 2.090 3.414 0.074 15 0 "[ . 1 . 2]" 1
81 1 3 ARG QB 1 3 ARG HE . . 4.190 3.500 2.110 4.076 . 0 0 "[ . 1 . 2]" 1
82 1 3 ARG QB 1 3 ARG HG2 . . 2.510 2.374 2.134 2.463 . 0 0 "[ . 1 . 2]" 1
83 1 3 ARG QB 1 3 ARG QG . . 2.090 2.044 2.003 2.087 . 0 0 "[ . 1 . 2]" 1
84 1 3 ARG QB 1 3 ARG HG3 . . 2.510 2.259 2.144 2.500 . 0 0 "[ . 1 . 2]" 1
85 1 3 ARG QB 1 3 ARG QH1 . . 4.280 3.950 3.636 4.175 . 0 0 "[ . 1 . 2]" 1
86 1 3 ARG QB 1 3 ARG QH2 . . 5.380 4.965 3.811 5.526 0.146 9 0 "[ . 1 . 2]" 1
87 1 3 ARG QB 1 4 VAL H . . 4.030 2.506 2.064 2.820 . 0 0 "[ . 1 . 2]" 1
88 1 3 ARG QB 1 4 VAL QG . . 4.790 3.953 3.622 4.143 . 0 0 "[ . 1 . 2]" 1
89 1 3 ARG QD 1 3 ARG HE . . 2.490 2.428 2.189 2.492 0.002 14 0 "[ . 1 . 2]" 1
90 1 3 ARG QD 1 3 ARG HG2 . . 2.520 2.331 2.154 2.465 . 0 0 "[ . 1 . 2]" 1
91 1 3 ARG QD 1 3 ARG QG . . 2.080 2.056 2.007 2.090 0.010 9 0 "[ . 1 . 2]" 1
92 1 3 ARG QD 1 3 ARG HG3 . . 2.520 2.321 2.158 2.481 . 0 0 "[ . 1 . 2]" 1
93 1 3 ARG QD 1 3 ARG QH1 . . 2.080 1.964 1.889 2.082 0.002 3 0 "[ . 1 . 2]" 1
94 1 3 ARG QD 1 3 ARG QH2 . . 3.670 3.622 3.609 3.676 0.006 3 0 "[ . 1 . 2]" 1
95 1 3 ARG HD2 1 3 ARG HE . . 2.880 2.742 2.288 2.879 . 0 0 "[ . 1 . 2]" 1
96 1 3 ARG HD2 1 3 ARG HG2 . . 2.950 2.827 2.462 3.015 0.065 20 0 "[ . 1 . 2]" 1
97 1 3 ARG HD2 1 3 ARG QG . . 2.520 2.321 2.158 2.480 . 0 0 "[ . 1 . 2]" 1
98 1 3 ARG HD2 1 3 ARG HG3 . . 2.950 2.531 2.298 3.016 0.066 15 0 "[ . 1 . 2]" 1
99 1 3 ARG HD2 1 3 ARG QH1 . . 3.390 2.338 1.947 3.409 0.019 17 0 "[ . 1 . 2]" 1
100 1 3 ARG HD2 1 3 ARG QH2 . . 4.230 4.067 4.008 4.235 0.005 2 0 "[ . 1 . 2]" 1
101 1 3 ARG HD3 1 3 ARG HE . . 2.880 2.756 2.277 2.880 . 0 0 "[ . 1 . 2]" 1
102 1 3 ARG HD3 1 3 ARG HG2 . . 2.950 2.543 2.276 3.006 0.056 11 0 "[ . 1 . 2]" 1
103 1 3 ARG HD3 1 3 ARG QG . . 2.520 2.331 2.155 2.465 . 0 0 "[ . 1 . 2]" 1
104 1 3 ARG HD3 1 3 ARG HG3 . . 2.950 2.828 2.466 3.017 0.067 9 0 "[ . 1 . 2]" 1
105 1 3 ARG HD3 1 3 ARG QH1 . . 3.390 2.337 1.945 3.427 0.037 3 0 "[ . 1 . 2]" 1
106 1 3 ARG HD3 1 3 ARG QH2 . . 4.230 4.068 4.008 4.239 0.009 3 0 "[ . 1 . 2]" 1
107 1 3 ARG HE 1 3 ARG HG2 . . 3.520 2.812 2.225 4.005 0.485 13 0 "[ . 1 . 2]" 1
108 1 3 ARG HE 1 3 ARG QG . . 3.010 2.385 2.166 3.090 0.080 13 0 "[ . 1 . 2]" 1
109 1 3 ARG HE 1 3 ARG HG3 . . 3.520 2.918 2.241 3.762 0.242 3 0 "[ . 1 . 2]" 1
110 1 3 ARG HE 1 3 ARG QH1 . . 3.280 3.279 3.278 3.280 . 0 0 "[ . 1 . 2]" 1
111 1 3 ARG QG 1 3 ARG QH1 . . 3.840 3.471 1.941 3.841 0.001 7 0 "[ . 1 . 2]" 1
112 1 3 ARG QG 1 3 ARG QH2 . . 4.200 4.048 3.762 4.306 0.106 15 0 "[ . 1 . 2]" 1
113 1 3 ARG QG 1 4 VAL H . . 4.370 4.179 3.839 4.458 0.088 9 0 "[ . 1 . 2]" 1
114 1 3 ARG QG 1 4 VAL QG . . 4.820 5.083 4.705 5.341 0.521 9 1 "[ . +1 . 2]" 1
115 1 3 ARG HG2 1 3 ARG QH1 . . 4.360 3.986 2.173 4.386 0.026 18 0 "[ . 1 . 2]" 1
116 1 3 ARG HG2 1 3 ARG QH2 . . 5.320 4.622 4.081 5.437 0.117 15 0 "[ . 1 . 2]" 1
117 1 3 ARG HG3 1 3 ARG QH1 . . 4.360 3.911 1.965 4.337 . 0 0 "[ . 1 . 2]" 1
118 1 3 ARG HG3 1 3 ARG QH2 . . 5.320 4.635 3.993 5.424 0.104 11 0 "[ . 1 . 2]" 1
119 1 4 VAL H 1 4 VAL HA . . 2.950 2.835 2.758 2.946 . 0 0 "[ . 1 . 2]" 1
120 1 4 VAL H 1 4 VAL HB . . 3.790 2.644 2.568 2.693 . 0 0 "[ . 1 . 2]" 1
121 1 4 VAL H 1 4 VAL MG1 . . 4.010 3.790 3.757 3.869 . 0 0 "[ . 1 . 2]" 1
122 1 4 VAL H 1 4 VAL QG . . 2.870 2.255 2.095 2.609 . 0 0 "[ . 1 . 2]" 1
123 1 4 VAL H 1 4 VAL MG2 . . 4.010 2.275 2.106 2.653 . 0 0 "[ . 1 . 2]" 1
124 1 4 VAL H 1 5 ASP H . . 4.610 2.684 2.008 3.403 . 0 0 "[ . 1 . 2]" 1
125 1 4 VAL HA 1 4 VAL HB . . 3.020 3.020 3.017 3.022 0.002 9 0 "[ . 1 . 2]" 1
126 1 4 VAL HA 1 4 VAL MG1 . . 3.200 2.268 2.195 2.346 . 0 0 "[ . 1 . 2]" 1
127 1 4 VAL HA 1 4 VAL QG . . 2.330 2.058 2.031 2.093 . 0 0 "[ . 1 . 2]" 1
128 1 4 VAL HA 1 4 VAL MG2 . . 3.200 2.366 2.292 2.417 . 0 0 "[ . 1 . 2]" 1
129 1 4 VAL HA 1 5 ASP H . . 3.570 3.439 2.526 3.570 0.000 7 0 "[ . 1 . 2]" 1
130 1 4 VAL HB 1 4 VAL MG1 . . 2.130 2.113 2.088 2.129 . 0 0 "[ . 1 . 2]" 1
131 1 4 VAL HB 1 4 VAL QG . . 1.900 1.874 1.864 1.887 . 0 0 "[ . 1 . 2]" 1
132 1 4 VAL HB 1 4 VAL MG2 . . 2.130 2.094 2.085 2.111 . 0 0 "[ . 1 . 2]" 1
133 1 4 VAL HB 1 5 ASP H . . 4.470 2.765 2.022 4.392 . 0 0 "[ . 1 . 2]" 1
134 1 4 VAL MG1 1 4 VAL MG2 . . 2.090 1.976 1.912 2.051 . 0 0 "[ . 1 . 2]" 1
135 1 4 VAL QG 1 5 ASP H . . 3.620 3.266 2.873 3.609 . 0 0 "[ . 1 . 2]" 1
136 1 4 VAL QG 1 5 ASP HA . . 4.270 4.067 3.759 4.798 0.528 1 1 "[+ . 1 . 2]" 1
137 1 4 VAL QG 1 5 ASP QB . . 4.670 3.271 2.585 4.296 . 0 0 "[ . 1 . 2]" 1
138 1 4 VAL MG1 1 5 ASP H . . 4.260 3.580 3.040 4.074 . 0 0 "[ . 1 . 2]" 1
139 1 4 VAL MG2 1 5 ASP H . . 4.260 3.808 3.536 4.321 0.061 1 0 "[ . 1 . 2]" 1
140 1 5 ASP H 1 5 ASP HA . . 2.950 2.879 2.276 2.947 . 0 0 "[ . 1 . 2]" 1
141 1 5 ASP H 1 5 ASP HB2 . . 4.000 3.252 2.485 4.007 0.007 13 0 "[ . 1 . 2]" 1
142 1 5 ASP H 1 5 ASP QB . . 3.410 2.890 2.444 3.427 0.017 1 0 "[ . 1 . 2]" 1
143 1 5 ASP H 1 5 ASP HB3 . . 4.000 3.504 2.972 4.022 0.022 1 0 "[ . 1 . 2]" 1
144 1 5 ASP H 1 6 ILE H . . 4.630 4.352 4.228 4.459 . 0 0 "[ . 1 . 2]" 1
145 1 5 ASP HA 1 5 ASP HB2 . . 3.030 2.740 2.345 3.018 . 0 0 "[ . 1 . 2]" 1
146 1 5 ASP HA 1 5 ASP QB . . 2.540 2.344 2.171 2.487 . 0 0 "[ . 1 . 2]" 1
147 1 5 ASP HA 1 5 ASP HB3 . . 3.030 2.608 2.318 3.007 . 0 0 "[ . 1 . 2]" 1
148 1 5 ASP HA 1 6 ILE H . . 3.570 2.339 2.169 2.639 . 0 0 "[ . 1 . 2]" 1
149 1 5 ASP HA 1 6 ILE HA . . 4.820 4.378 4.293 4.460 . 0 0 "[ . 1 . 2]" 1
150 1 5 ASP QB 1 6 ILE H . . 4.030 2.774 1.939 3.108 . 0 0 "[ . 1 . 2]" 1
151 1 5 ASP HB2 1 6 ILE H . . 4.510 3.516 1.950 4.235 . 0 0 "[ . 1 . 2]" 1
152 1 5 ASP HB3 1 6 ILE H . . 4.510 3.250 2.012 4.202 . 0 0 "[ . 1 . 2]" 1
153 1 6 ILE H 1 6 ILE HA . . 2.950 2.899 2.771 2.947 . 0 0 "[ . 1 . 2]" 1
154 1 6 ILE H 1 6 ILE HB . . 3.860 2.663 2.540 2.835 . 0 0 "[ . 1 . 2]" 1
155 1 6 ILE H 1 6 ILE MD . . 5.000 2.400 1.922 3.384 . 0 0 "[ . 1 . 2]" 1
156 1 6 ILE H 1 6 ILE HG12 . . 4.540 3.765 1.938 4.445 . 0 0 "[ . 1 . 2]" 1
157 1 6 ILE H 1 6 ILE QG . . 4.150 2.920 1.929 3.435 . 0 0 "[ . 1 . 2]" 1
158 1 6 ILE H 1 6 ILE HG13 . . 4.540 3.304 2.448 4.014 . 0 0 "[ . 1 . 2]" 1
159 1 6 ILE H 1 6 ILE MG . . 3.970 3.837 3.751 3.935 . 0 0 "[ . 1 . 2]" 1
160 1 6 ILE H 1 7 HIS H . . 4.450 4.492 4.270 4.638 0.188 20 0 "[ . 1 . 2]" 1
161 1 6 ILE HA 1 6 ILE HB . . 3.020 3.019 3.015 3.021 0.001 10 0 "[ . 1 . 2]" 1
162 1 6 ILE HA 1 6 ILE MD . . 4.100 3.194 2.131 3.633 . 0 0 "[ . 1 . 2]" 1
163 1 6 ILE HA 1 6 ILE HG12 . . 3.790 3.456 3.227 3.556 . 0 0 "[ . 1 . 2]" 1
164 1 6 ILE HA 1 6 ILE QG . . 3.340 2.494 2.306 3.100 . 0 0 "[ . 1 . 2]" 1
165 1 6 ILE HA 1 6 ILE HG13 . . 3.790 2.662 2.344 3.768 . 0 0 "[ . 1 . 2]" 1
166 1 6 ILE HA 1 6 ILE MG . . 3.190 2.278 2.183 2.353 . 0 0 "[ . 1 . 2]" 1
167 1 6 ILE HA 1 7 HIS H . . 3.570 2.215 2.139 2.283 . 0 0 "[ . 1 . 2]" 1
168 1 6 ILE HB 1 6 ILE MD . . 3.220 2.332 2.037 3.220 . 4 0 "[ . 1 . 2]" 1
169 1 6 ILE HB 1 6 ILE HG12 . . 2.900 2.635 2.387 2.785 . 0 0 "[ . 1 . 2]" 1
170 1 6 ILE HB 1 6 ILE QG . . 2.540 2.435 2.184 2.533 . 0 0 "[ . 1 . 2]" 1
171 1 6 ILE HB 1 6 ILE HG13 . . 2.900 2.874 2.480 2.985 0.085 14 0 "[ . 1 . 2]" 1
172 1 6 ILE HB 1 6 ILE MG . . 2.130 2.109 2.086 2.127 . 0 0 "[ . 1 . 2]" 1
173 1 6 ILE HB 1 7 HIS H . . 4.420 3.938 3.689 4.275 . 0 0 "[ . 1 . 2]" 1
174 1 6 ILE MD 1 6 ILE HG12 . . 2.120 2.085 2.072 2.108 . 0 0 "[ . 1 . 2]" 1
175 1 6 ILE MD 1 6 ILE QG . . 1.890 1.858 1.846 1.879 . 0 0 "[ . 1 . 2]" 1
176 1 6 ILE MD 1 6 ILE HG13 . . 2.120 2.087 2.073 2.111 . 0 0 "[ . 1 . 2]" 1
177 1 6 ILE MD 1 6 ILE MG . . 3.000 2.905 2.013 3.150 0.150 14 0 "[ . 1 . 2]" 1
178 1 6 ILE QG 1 6 ILE MG . . 2.320 2.042 1.930 2.218 . 0 0 "[ . 1 . 2]" 1
179 1 6 ILE QG 1 7 HIS H . . 4.820 4.186 4.029 4.558 . 0 0 "[ . 1 . 2]" 1
180 1 6 ILE HG12 1 6 ILE MG . . 3.180 2.286 1.965 3.194 0.014 3 0 "[ . 1 . 2]" 1
181 1 6 ILE HG13 1 6 ILE MG . . 3.180 2.637 2.227 2.869 . 0 0 "[ . 1 . 2]" 1
182 1 6 ILE MG 1 7 HIS H . . 4.350 2.244 1.947 2.738 . 0 0 "[ . 1 . 2]" 1
183 1 7 HIS H 1 7 HIS HA . . 2.950 2.846 2.761 2.947 . 0 0 "[ . 1 . 2]" 1
184 1 7 HIS H 1 7 HIS HB2 . . 3.880 2.275 2.065 2.759 . 0 0 "[ . 1 . 2]" 1
185 1 7 HIS H 1 7 HIS QB . . 3.210 2.195 2.044 2.470 . 0 0 "[ . 1 . 2]" 1
186 1 7 HIS H 1 7 HIS HB3 . . 3.880 3.065 2.786 3.280 . 0 0 "[ . 1 . 2]" 1
187 1 7 HIS H 1 7 HIS HD1 . . 5.840 4.776 3.673 5.421 . 0 0 "[ . 1 . 2]" 1
188 1 7 HIS H 1 7 HIS HD2 . . 5.900 4.859 3.746 5.683 . 0 0 "[ . 1 . 2]" 1
189 1 7 HIS H 1 7 HIS HE1 . . 7.300 6.819 6.085 7.257 . 0 0 "[ . 1 . 2]" 1
190 1 7 HIS H 1 8 VAL H . . 4.610 2.627 1.932 3.034 . 0 0 "[ . 1 . 2]" 1
191 1 7 HIS HA 1 7 HIS HB2 . . 3.010 2.734 2.583 2.868 . 0 0 "[ . 1 . 2]" 1
192 1 7 HIS HA 1 7 HIS QB . . 2.540 2.504 2.442 2.540 0.000 18 0 "[ . 1 . 2]" 1
193 1 7 HIS HA 1 7 HIS HB3 . . 3.010 2.928 2.834 3.010 . 0 0 "[ . 1 . 2]" 1
194 1 7 HIS HA 1 7 HIS HD1 . . 4.380 3.605 2.199 4.352 . 0 0 "[ . 1 . 2]" 1
195 1 7 HIS HA 1 7 HIS HD2 . . 4.750 3.368 2.345 4.439 . 0 0 "[ . 1 . 2]" 1
196 1 7 HIS HA 1 7 HIS HE1 . . 6.380 5.093 4.381 5.490 . 0 0 "[ . 1 . 2]" 1
197 1 7 HIS HA 1 8 VAL H . . 3.570 3.544 3.349 3.571 0.001 6 0 "[ . 1 . 2]" 1
198 1 7 HIS HA 1 8 VAL HA . . 4.790 4.709 4.555 4.847 0.057 11 0 "[ . 1 . 2]" 1
199 1 7 HIS HA 1 8 VAL QG . . 4.840 4.313 3.814 4.480 . 0 0 "[ . 1 . 2]" 1
200 1 7 HIS QB 1 7 HIS HD1 . . 2.760 2.539 2.414 2.962 0.202 1 0 "[ . 1 . 2]" 1
201 1 7 HIS QB 1 7 HIS HD2 . . 2.900 2.867 2.632 3.194 0.294 12 0 "[ . 1 . 2]" 1
202 1 7 HIS QB 1 7 HIS HE1 . . 4.520 4.424 4.350 4.577 0.057 1 0 "[ . 1 . 2]" 1
203 1 7 HIS QB 1 8 VAL H . . 4.010 2.413 2.058 3.259 . 0 0 "[ . 1 . 2]" 1
204 1 7 HIS QB 1 8 VAL QG . . 4.890 2.831 2.394 3.621 . 0 0 "[ . 1 . 2]" 1
205 1 7 HIS HB2 1 7 HIS HD1 . . 3.810 3.051 2.469 3.812 0.002 19 0 "[ . 1 . 2]" 1
206 1 7 HIS HB2 1 7 HIS HD2 . . 3.960 3.463 2.692 3.965 0.005 20 0 "[ . 1 . 2]" 1
207 1 7 HIS HB2 1 7 HIS HE1 . . 5.340 4.981 4.719 5.345 0.005 19 0 "[ . 1 . 2]" 1
208 1 7 HIS HB2 1 8 VAL H . . 4.650 3.292 2.919 3.778 . 0 0 "[ . 1 . 2]" 1
209 1 7 HIS HB3 1 7 HIS HD1 . . 3.810 3.145 2.465 3.813 0.003 14 0 "[ . 1 . 2]" 1
210 1 7 HIS HB3 1 7 HIS HD2 . . 3.960 3.376 2.696 3.970 0.010 2 0 "[ . 1 . 2]" 1
211 1 7 HIS HB3 1 7 HIS HE1 . . 5.340 5.026 4.718 5.346 0.006 14 0 "[ . 1 . 2]" 1
212 1 7 HIS HB3 1 8 VAL H . . 4.650 2.516 2.077 3.641 . 0 0 "[ . 1 . 2]" 1
213 1 8 VAL H 1 8 VAL HA . . 2.950 2.850 2.763 2.947 . 0 0 "[ . 1 . 2]" 1
214 1 8 VAL H 1 8 VAL HB . . 3.830 3.654 3.603 3.815 . 0 0 "[ . 1 . 2]" 1
215 1 8 VAL H 1 8 VAL MG1 . . 3.970 2.425 1.967 3.030 . 0 0 "[ . 1 . 2]" 1
216 1 8 VAL H 1 8 VAL QG . . 2.780 1.960 1.830 2.087 . 0 0 "[ . 1 . 2]" 1
217 1 8 VAL H 1 8 VAL MG2 . . 3.970 2.118 1.958 2.410 . 0 0 "[ . 1 . 2]" 1
218 1 8 VAL H 1 9 TRP H . . 4.630 4.564 4.415 4.644 0.014 11 0 "[ . 1 . 2]" 1
219 1 8 VAL HA 1 8 VAL HB . . 3.020 2.465 2.420 2.525 . 0 0 "[ . 1 . 2]" 1
220 1 8 VAL HA 1 8 VAL MG1 . . 3.200 2.334 2.152 2.411 . 0 0 "[ . 1 . 2]" 1
221 1 8 VAL HA 1 8 VAL QG . . 2.300 2.279 2.119 2.343 0.043 5 0 "[ . 1 . 2]" 1
222 1 8 VAL HA 1 8 VAL MG2 . . 3.200 3.194 3.181 3.203 0.003 10 0 "[ . 1 . 2]" 1
223 1 8 VAL HA 1 9 TRP H . . 3.570 2.441 2.233 2.637 . 0 0 "[ . 1 . 2]" 1
224 1 8 VAL HB 1 8 VAL MG1 . . 2.130 2.101 2.084 2.128 . 0 0 "[ . 1 . 2]" 1
225 1 8 VAL HB 1 8 VAL QG . . 1.900 1.875 1.867 1.896 . 0 0 "[ . 1 . 2]" 1
226 1 8 VAL HB 1 8 VAL MG2 . . 2.130 2.109 2.085 2.131 0.001 9 0 "[ . 1 . 2]" 1
227 1 8 VAL HB 1 9 TRP H . . 4.430 2.334 1.950 2.851 . 0 0 "[ . 1 . 2]" 1
228 1 8 VAL MG1 1 8 VAL MG2 . . 2.100 2.015 1.933 2.089 . 0 0 "[ . 1 . 2]" 1
229 1 8 VAL QG 1 9 TRP H . . 3.560 3.095 2.719 3.372 . 0 0 "[ . 1 . 2]" 1
230 1 8 VAL QG 1 9 TRP HA . . 4.280 3.643 3.278 3.998 . 0 0 "[ . 1 . 2]" 1
231 1 8 VAL QG 1 9 TRP QB . . 4.630 4.342 4.126 4.648 0.018 14 0 "[ . 1 . 2]" 1
232 1 8 VAL MG1 1 9 TRP H . . 4.250 3.637 3.387 3.857 . 0 0 "[ . 1 . 2]" 1
233 1 8 VAL MG2 1 9 TRP H . . 4.250 3.369 2.817 3.832 . 0 0 "[ . 1 . 2]" 1
234 1 9 TRP H 1 9 TRP HA . . 2.950 2.918 2.843 2.947 . 0 0 "[ . 1 . 2]" 1
235 1 9 TRP H 1 9 TRP HB2 . . 3.810 3.058 2.535 3.435 . 0 0 "[ . 1 . 2]" 1
236 1 9 TRP H 1 9 TRP QB . . 3.090 2.670 2.461 2.913 . 0 0 "[ . 1 . 2]" 1
237 1 9 TRP H 1 9 TRP HB3 . . 3.810 3.056 2.689 3.804 . 0 0 "[ . 1 . 2]" 1
238 1 9 TRP H 1 9 TRP HD1 . . 5.930 5.012 3.936 5.620 . 0 0 "[ . 1 . 2]" 1
239 1 9 TRP H 1 9 TRP HE1 . . 7.470 7.095 5.959 7.518 0.048 18 0 "[ . 1 . 2]" 1
240 1 9 TRP H 1 9 TRP HE3 . . 6.290 5.073 4.673 5.572 . 0 0 "[ . 1 . 2]" 1
241 1 9 TRP H 1 9 TRP HZ2 . . 8.750 8.516 7.629 8.747 . 0 0 "[ . 1 . 2]" 1
242 1 9 TRP H 1 9 TRP HZ3 . . 8.480 7.449 7.048 7.961 . 0 0 "[ . 1 . 2]" 1
243 1 9 TRP H 1 10 ASP H . . 4.630 4.186 4.009 4.325 . 0 0 "[ . 1 . 2]" 1
244 1 9 TRP HA 1 9 TRP HB2 . . 3.000 2.611 2.431 3.007 0.007 8 0 "[ . 1 . 2]" 1
245 1 9 TRP HA 1 9 TRP QB . . 2.540 2.422 2.336 2.480 . 0 0 "[ . 1 . 2]" 1
246 1 9 TRP HA 1 9 TRP HB3 . . 3.000 2.955 2.590 3.027 0.027 12 0 "[ . 1 . 2]" 1
247 1 9 TRP HA 1 9 TRP HD1 . . 4.540 3.832 2.197 4.644 0.104 3 0 "[ . 1 . 2]" 1
248 1 9 TRP HA 1 9 TRP HE1 . . 6.360 5.263 4.625 5.715 . 0 0 "[ . 1 . 2]" 1
249 1 9 TRP HA 1 9 TRP HE3 . . 4.600 3.265 2.118 5.197 0.597 11 2 "[ - 1+ . 2]" 1
250 1 9 TRP HA 1 9 TRP HH2 . . 8.220 6.569 5.830 7.925 . 0 0 "[ . 1 . 2]" 1
251 1 9 TRP HA 1 9 TRP HZ2 . . 7.760 6.284 5.948 6.824 . 0 0 "[ . 1 . 2]" 1
252 1 9 TRP HA 1 9 TRP HZ3 . . 6.960 5.387 4.360 7.303 0.343 11 0 "[ . 1 . 2]" 1
253 1 9 TRP HA 1 10 ASP H . . 3.570 2.150 2.139 2.233 . 0 0 "[ . 1 . 2]" 1
254 1 9 TRP QB 1 9 TRP HD1 . . 2.930 2.646 2.494 3.081 0.151 11 0 "[ . 1 . 2]" 1
255 1 9 TRP QB 1 9 TRP HE1 . . 4.520 4.437 4.380 4.561 0.041 11 0 "[ . 1 . 2]" 1
256 1 9 TRP QB 1 9 TRP HE3 . . 3.040 2.672 2.380 2.975 . 0 0 "[ . 1 . 2]" 1
257 1 9 TRP QB 1 9 TRP HH2 . . 6.150 5.982 5.806 6.121 . 0 0 "[ . 1 . 2]" 1
258 1 9 TRP QB 1 9 TRP HZ2 . . 5.680 5.626 5.556 5.671 . 0 0 "[ . 1 . 2]" 1
259 1 9 TRP QB 1 9 TRP HZ3 . . 5.140 4.870 4.633 5.099 . 0 0 "[ . 1 . 2]" 1
260 1 9 TRP QB 1 10 ASP H . . 3.940 3.689 3.274 3.840 . 0 0 "[ . 1 . 2]" 1
261 1 9 TRP HB2 1 9 TRP HD1 . . 3.890 3.357 2.548 3.894 0.004 2 0 "[ . 1 . 2]" 1
262 1 9 TRP HB2 1 9 TRP HE1 . . 5.280 5.059 4.751 5.279 . 0 0 "[ . 1 . 2]" 1
263 1 9 TRP HB2 1 9 TRP HE3 . . 4.220 3.233 2.402 4.216 . 0 0 "[ . 1 . 2]" 1
264 1 9 TRP HB2 1 9 TRP HH2 . . 7.320 6.700 6.231 7.315 . 0 0 "[ . 1 . 2]" 1
265 1 9 TRP HB2 1 9 TRP HZ2 . . 6.510 6.290 6.129 6.508 . 0 0 "[ . 1 . 2]" 1
266 1 9 TRP HB2 1 9 TRP HZ3 . . 6.440 5.537 4.824 6.442 0.002 15 0 "[ . 1 . 2]" 1
267 1 9 TRP HB2 1 10 ASP H . . 4.280 4.351 4.185 4.471 0.191 14 0 "[ . 1 . 2]" 1
268 1 9 TRP HB3 1 9 TRP HD1 . . 3.890 3.088 2.547 3.888 . 0 0 "[ . 1 . 2]" 1
269 1 9 TRP HB3 1 9 TRP HE1 . . 5.280 4.959 4.751 5.277 . 0 0 "[ . 1 . 2]" 1
270 1 9 TRP HB3 1 9 TRP HE3 . . 4.220 3.542 2.414 4.218 . 0 0 "[ . 1 . 2]" 1
271 1 9 TRP HB3 1 9 TRP HH2 . . 7.320 6.900 6.238 7.317 . 0 0 "[ . 1 . 2]" 1
272 1 9 TRP HB3 1 9 TRP HZ2 . . 6.510 6.362 6.132 6.509 . 0 0 "[ . 1 . 2]" 1
273 1 9 TRP HB3 1 9 TRP HZ3 . . 6.440 5.828 4.833 6.444 0.004 18 0 "[ . 1 . 2]" 1
274 1 9 TRP HB3 1 10 ASP H . . 4.280 4.011 3.383 4.328 0.048 9 0 "[ . 1 . 2]" 1
275 1 9 TRP HH2 1 9 TRP HZ3 . . 2.440 2.442 2.441 2.442 0.002 5 0 "[ . 1 . 2]" 1
276 1 10 ASP H 1 10 ASP HA . . 2.940 2.276 2.275 2.279 . 0 0 "[ . 1 . 2]" 1
277 1 10 ASP H 1 10 ASP HB2 . . 4.000 3.188 2.969 3.715 . 0 0 "[ . 1 . 2]" 1
278 1 10 ASP H 1 10 ASP QB . . 3.430 3.042 2.861 3.396 . 0 0 "[ . 1 . 2]" 1
279 1 10 ASP H 1 10 ASP HB3 . . 4.000 3.858 3.637 4.081 0.081 19 0 "[ . 1 . 2]" 1
280 1 10 ASP H 1 11 GLY H . . 4.610 2.726 2.619 2.896 . 0 0 "[ . 1 . 2]" 1
281 1 10 ASP HA 1 10 ASP HB2 . . 3.020 2.756 2.523 3.017 . 0 0 "[ . 1 . 2]" 1
282 1 10 ASP HA 1 10 ASP QB . . 2.540 2.436 2.269 2.480 . 0 0 "[ . 1 . 2]" 1
283 1 10 ASP HA 1 10 ASP HB3 . . 3.020 2.827 2.348 3.022 0.002 2 0 "[ . 1 . 2]" 1
284 1 10 ASP HA 1 11 GLY H . . 3.570 2.883 2.653 2.970 . 0 0 "[ . 1 . 2]" 1
285 1 10 ASP HA 1 11 GLY QA . . 4.420 4.026 3.965 4.067 . 0 0 "[ . 1 . 2]" 1
286 1 10 ASP QB 1 11 GLY H . . 3.920 3.821 3.749 3.912 . 0 0 "[ . 1 . 2]" 1
287 1 10 ASP QB 1 11 GLY QA . . 4.500 4.258 4.104 4.466 . 0 0 "[ . 1 . 2]" 1
288 1 10 ASP HB2 1 11 GLY H . . 4.340 4.397 4.077 4.594 0.254 13 0 "[ . 1 . 2]" 1
289 1 10 ASP HB3 1 11 GLY H . . 4.340 4.230 4.057 4.558 0.218 15 0 "[ . 1 . 2]" 1
290 1 11 GLY H 1 11 GLY HA2 . . 2.960 2.376 2.302 2.429 . 0 0 "[ . 1 . 2]" 1
291 1 11 GLY H 1 11 GLY QA . . 2.500 2.278 2.210 2.322 . 0 0 "[ . 1 . 2]" 1
292 1 11 GLY H 1 11 GLY HA3 . . 2.960 2.922 2.849 2.951 . 0 0 "[ . 1 . 2]" 1
293 1 11 GLY H 1 12 VAL H . . 4.630 3.084 2.504 3.385 . 0 0 "[ . 1 . 2]" 1
294 1 11 GLY QA 1 12 VAL H . . 2.870 2.676 2.544 2.863 . 0 0 "[ . 1 . 2]" 1
295 1 11 GLY QA 1 12 VAL HA . . 4.320 4.038 3.978 4.080 . 0 0 "[ . 1 . 2]" 1
296 1 11 GLY QA 1 12 VAL QG . . 3.860 3.112 2.911 3.404 . 0 0 "[ . 1 . 2]" 1
297 1 11 GLY HA2 1 12 VAL H . . 3.530 3.458 3.044 3.569 0.039 13 0 "[ . 1 . 2]" 1
298 1 11 GLY HA2 1 12 VAL QG . . 4.360 3.922 3.654 4.378 0.018 11 0 "[ . 1 . 2]" 1
299 1 11 GLY HA3 1 12 VAL H . . 3.530 2.858 2.604 3.451 . 0 0 "[ . 1 . 2]" 1
300 1 11 GLY HA3 1 12 VAL QG . . 4.360 3.266 3.053 3.549 . 0 0 "[ . 1 . 2]" 1
301 1 12 VAL H 1 12 VAL HA . . 2.950 2.912 2.899 2.934 . 0 0 "[ . 1 . 2]" 1
302 1 12 VAL H 1 12 VAL HB . . 3.910 3.840 3.655 3.926 0.016 18 0 "[ . 1 . 2]" 1
303 1 12 VAL H 1 12 VAL MG1 . . 4.020 3.082 2.444 3.333 . 0 0 "[ . 1 . 2]" 1
304 1 12 VAL H 1 12 VAL QG . . 2.750 2.116 1.868 2.281 . 0 0 "[ . 1 . 2]" 1
305 1 12 VAL H 1 12 VAL MG2 . . 4.020 2.158 1.928 2.323 . 0 0 "[ . 1 . 2]" 1
306 1 12 VAL H 1 13 TYR H . . 4.640 4.312 4.119 4.584 . 0 0 "[ . 1 . 2]" 1
307 1 12 VAL HA 1 12 VAL HB . . 3.020 2.490 2.428 2.537 . 0 0 "[ . 1 . 2]" 1
308 1 12 VAL HA 1 12 VAL MG1 . . 3.200 2.249 2.144 2.381 . 0 0 "[ . 1 . 2]" 1
309 1 12 VAL HA 1 12 VAL QG . . 2.360 2.205 2.112 2.319 . 0 0 "[ . 1 . 2]" 1
310 1 12 VAL HA 1 12 VAL MG2 . . 3.200 3.190 3.178 3.199 . 0 0 "[ . 1 . 2]" 1
311 1 12 VAL HA 1 13 TYR H . . 3.560 2.187 2.145 2.233 . 0 0 "[ . 1 . 2]" 1
312 1 12 VAL HB 1 12 VAL MG1 . . 2.130 2.116 2.087 2.130 . 0 0 "[ . 1 . 2]" 1
313 1 12 VAL HB 1 12 VAL QG . . 1.890 1.881 1.867 1.897 0.007 19 0 "[ . 1 . 2]" 1
314 1 12 VAL HB 1 12 VAL MG2 . . 2.130 2.107 2.085 2.130 0.000 19 0 "[ . 1 . 2]" 1
315 1 12 VAL HB 1 13 TYR H . . 4.450 3.068 2.853 3.334 . 0 0 "[ . 1 . 2]" 1
316 1 12 VAL MG1 1 12 VAL MG2 . . 2.100 2.051 1.921 2.096 . 0 0 "[ . 1 . 2]" 1
317 1 12 VAL QG 1 13 TYR H . . 3.650 3.443 3.349 3.540 . 0 0 "[ . 1 . 2]" 1
318 1 12 VAL QG 1 13 TYR HA . . 4.280 4.336 3.899 4.516 0.236 20 0 "[ . 1 . 2]" 1
319 1 12 VAL QG 1 13 TYR QB . . 4.900 4.641 4.411 4.892 . 0 0 "[ . 1 . 2]" 1
320 1 12 VAL QG 1 13 TYR QR . . 4.930 4.698 3.793 5.445 0.515 17 1 "[ . 1 . + 2]" 1
321 1 12 VAL MG1 1 13 TYR H . . 4.260 3.812 3.623 3.945 . 0 0 "[ . 1 . 2]" 1
322 1 12 VAL MG2 1 13 TYR H . . 4.260 3.939 3.743 4.095 . 0 0 "[ . 1 . 2]" 1
323 1 13 TYR H 1 13 TYR HA . . 2.950 2.824 2.764 2.946 . 0 0 "[ . 1 . 2]" 1
324 1 13 TYR H 1 13 TYR HB2 . . 3.760 2.962 2.227 3.765 0.005 14 0 "[ . 1 . 2]" 1
325 1 13 TYR H 1 13 TYR QB . . 3.240 2.403 2.156 2.766 . 0 0 "[ . 1 . 2]" 1
326 1 13 TYR H 1 13 TYR HB3 . . 3.760 2.793 2.451 3.593 . 0 0 "[ . 1 . 2]" 1
327 1 13 TYR H 1 13 TYR HD1 . . 5.480 3.910 2.110 4.997 . 0 0 "[ . 1 . 2]" 1
328 1 13 TYR H 1 13 TYR QD . . 4.480 3.048 2.107 4.191 . 0 0 "[ . 1 . 2]" 1
329 1 13 TYR H 1 13 TYR QR . . 4.400 3.017 2.101 4.129 . 0 0 "[ . 1 . 2]" 1
330 1 13 TYR H 1 13 TYR HD2 . . 5.650 3.917 2.246 5.109 . 0 0 "[ . 1 . 2]" 1
331 1 13 TYR H 1 13 TYR HE1 . . 7.470 5.760 4.145 7.119 . 0 0 "[ . 1 . 2]" 1
332 1 13 TYR H 1 13 TYR QE . . 6.470 4.948 3.970 6.228 . 0 0 "[ . 1 . 2]" 1
333 1 13 TYR H 1 13 TYR HE2 . . 7.570 5.760 4.080 7.194 . 0 0 "[ . 1 . 2]" 1
334 1 13 TYR H 1 13 TYR HH . . 8.840 7.116 5.782 8.592 . 0 0 "[ . 1 . 2]" 1
335 1 13 TYR H 1 14 ILE H . . 4.630 4.536 4.312 4.620 . 0 0 "[ . 1 . 2]" 1
336 1 13 TYR HA 1 13 TYR HB2 . . 3.010 2.567 2.375 3.026 0.016 10 0 "[ . 1 . 2]" 1
337 1 13 TYR HA 1 13 TYR QB . . 2.540 2.306 2.180 2.476 . 0 0 "[ . 1 . 2]" 1
338 1 13 TYR HA 1 13 TYR HB3 . . 3.010 2.693 2.412 3.026 0.016 16 0 "[ . 1 . 2]" 1
339 1 13 TYR HA 1 13 TYR HD1 . . 4.270 3.486 2.145 4.301 0.031 14 0 "[ . 1 . 2]" 1
340 1 13 TYR HA 1 13 TYR QD . . 3.740 3.136 2.140 3.742 0.002 18 0 "[ . 1 . 2]" 1
341 1 13 TYR HA 1 13 TYR QR . . 3.690 3.101 2.134 3.692 0.002 18 0 "[ . 1 . 2]" 1
342 1 13 TYR HA 1 13 TYR HD2 . . 4.220 4.068 3.036 4.592 0.372 16 0 "[ . 1 . 2]" 1
343 1 13 TYR HA 1 13 TYR HE1 . . 6.400 5.538 4.344 6.408 0.008 14 0 "[ . 1 . 2]" 1
344 1 13 TYR HA 1 13 TYR QE . . 5.650 5.019 4.227 5.657 0.007 5 0 "[ . 1 . 2]" 1
345 1 13 TYR HA 1 13 TYR HE2 . . 6.350 5.915 5.029 6.389 0.039 12 0 "[ . 1 . 2]" 1
346 1 13 TYR HA 1 13 TYR HH . . 7.980 7.185 6.089 7.985 0.005 11 0 "[ . 1 . 2]" 1
347 1 13 TYR HA 1 14 ILE H . . 3.570 2.180 2.139 2.236 . 0 0 "[ . 1 . 2]" 1
348 1 13 TYR QB 1 13 TYR HD1 . . 2.500 2.517 2.399 2.786 0.286 16 0 "[ . 1 . 2]" 1
349 1 13 TYR QB 1 13 TYR QD . . 2.140 2.142 2.135 2.175 0.035 16 0 "[ . 1 . 2]" 1
350 1 13 TYR QB 1 13 TYR QR . . 2.130 2.133 2.127 2.165 0.035 16 0 "[ . 1 . 2]" 1
351 1 13 TYR QB 1 13 TYR HD2 . . 2.480 2.333 2.265 2.396 . 0 0 "[ . 1 . 2]" 1
352 1 13 TYR QB 1 13 TYR HE1 . . 4.460 4.471 4.418 4.588 0.128 16 0 "[ . 1 . 2]" 1
353 1 13 TYR QB 1 13 TYR QE . . 3.940 3.940 3.935 3.956 0.016 16 0 "[ . 1 . 2]" 1
354 1 13 TYR QB 1 13 TYR HE2 . . 4.460 4.380 4.320 4.417 . 0 0 "[ . 1 . 2]" 1
355 1 13 TYR QB 1 13 TYR HH . . 5.830 5.744 5.695 5.827 . 0 0 "[ . 1 . 2]" 1
356 1 13 TYR QB 1 14 ILE H . . 3.960 3.300 2.820 3.910 . 0 0 "[ . 1 . 2]" 1
357 1 13 TYR QB 1 14 ILE HA . . 4.660 4.734 4.441 5.355 0.695 9 1 "[ . +1 . 2]" 1
358 1 13 TYR HB2 1 13 TYR HD1 . . 3.710 3.277 2.452 3.733 0.023 13 0 "[ . 1 . 2]" 1
359 1 13 TYR HB2 1 13 TYR QD . . 2.480 2.434 2.293 2.711 0.231 16 0 "[ . 1 . 2]" 1
360 1 13 TYR HB2 1 13 TYR QR . . 2.460 2.423 2.286 2.690 0.230 16 0 "[ . 1 . 2]" 1
361 1 13 TYR HB2 1 13 TYR HD2 . . 3.700 2.824 2.315 3.646 . 0 0 "[ . 1 . 2]" 1
362 1 13 TYR HB2 1 13 TYR HE1 . . 5.450 5.187 4.690 5.471 0.021 13 0 "[ . 1 . 2]" 1
363 1 13 TYR HB2 1 13 TYR QE . . 4.440 4.426 4.388 4.498 0.058 16 0 "[ . 1 . 2]" 1
364 1 13 TYR HB2 1 13 TYR HE2 . . 5.450 4.916 4.620 5.412 . 0 0 "[ . 1 . 2]" 1
365 1 13 TYR HB2 1 13 TYR HH . . 6.610 6.455 6.328 6.609 . 0 0 "[ . 1 . 2]" 1
366 1 13 TYR HB2 1 14 ILE H . . 4.390 3.730 2.887 4.590 0.200 17 0 "[ . 1 . 2]" 1
367 1 13 TYR HB3 1 13 TYR HD1 . . 3.710 2.988 2.433 3.746 0.036 3 0 "[ . 1 . 2]" 1
368 1 13 TYR HB3 1 13 TYR QD . . 2.480 2.406 2.279 2.560 0.080 13 0 "[ . 1 . 2]" 1
369 1 13 TYR HB3 1 13 TYR QR . . 2.460 2.395 2.271 2.545 0.085 13 0 "[ . 1 . 2]" 1
370 1 13 TYR HB3 1 13 TYR HD2 . . 3.700 3.105 2.298 3.660 . 0 0 "[ . 1 . 2]" 1
371 1 13 TYR HB3 1 13 TYR HE1 . . 5.450 5.015 4.680 5.482 0.032 3 0 "[ . 1 . 2]" 1
372 1 13 TYR HB3 1 13 TYR QE . . 4.440 4.420 4.385 4.461 0.021 13 0 "[ . 1 . 2]" 1
373 1 13 TYR HB3 1 13 TYR HE2 . . 5.450 5.089 4.612 5.424 . 0 0 "[ . 1 . 2]" 1
374 1 13 TYR HB3 1 13 TYR HH . . 6.610 6.445 6.326 6.611 0.001 13 0 "[ . 1 . 2]" 1
375 1 13 TYR HB3 1 14 ILE H . . 4.390 3.981 3.064 4.387 . 0 0 "[ . 1 . 2]" 1
376 1 13 TYR QR 1 13 TYR HH . . 2.610 2.468 2.190 2.615 0.005 10 0 "[ . 1 . 2]" 1
377 1 13 TYR QR 1 14 ILE H . . 4.300 3.587 2.536 4.000 . 0 0 "[ . 1 . 2]" 1
378 1 13 TYR QD 1 13 TYR HH . . 4.350 4.315 4.243 4.352 0.002 9 0 "[ . 1 . 2]" 1
379 1 13 TYR QD 1 14 ILE H . . 4.360 3.648 2.573 4.050 . 0 0 "[ . 1 . 2]" 1
380 1 13 TYR HD1 1 13 TYR HH . . 5.260 4.889 4.475 5.233 . 0 0 "[ . 1 . 2]" 1
381 1 13 TYR HD2 1 13 TYR HH . . 5.260 4.871 4.513 5.264 0.004 14 0 "[ . 1 . 2]" 1
382 1 13 TYR QE 1 13 TYR HH . . 2.630 2.483 2.197 2.636 0.006 10 0 "[ . 1 . 2]" 1
383 1 13 TYR HE1 1 13 TYR HH . . 3.540 2.953 2.218 3.506 . 0 0 "[ . 1 . 2]" 1
384 1 13 TYR HE2 1 13 TYR HH . . 3.550 2.921 2.293 3.553 0.003 14 0 "[ . 1 . 2]" 1
385 1 14 ILE H 1 14 ILE HA . . 2.950 2.826 2.275 2.948 . 0 0 "[ . 1 . 2]" 1
386 1 14 ILE H 1 14 ILE HB . . 3.960 2.647 2.494 3.629 . 0 0 "[ . 1 . 2]" 1
387 1 14 ILE H 1 14 ILE MD . . 5.000 2.770 1.891 3.548 . 0 0 "[ . 1 . 2]" 1
388 1 14 ILE H 1 14 ILE HG12 . . 4.880 3.042 1.955 4.467 . 0 0 "[ . 1 . 2]" 1
389 1 14 ILE H 1 14 ILE QG . . 4.200 2.491 1.937 3.481 . 0 0 "[ . 1 . 2]" 1
390 1 14 ILE H 1 14 ILE HG13 . . 4.880 3.290 1.950 4.351 . 0 0 "[ . 1 . 2]" 1
391 1 14 ILE H 1 14 ILE MG . . 4.020 3.802 3.763 3.998 . 0 0 "[ . 1 . 2]" 1
392 1 14 ILE H 1 15 ARG H . . 4.640 4.382 3.539 4.629 . 0 0 "[ . 1 . 2]" 1
393 1 14 ILE HA 1 14 ILE HB . . 3.020 3.020 3.016 3.021 0.001 2 0 "[ . 1 . 2]" 1
394 1 14 ILE HA 1 14 ILE MD . . 4.170 2.793 1.999 3.880 . 0 0 "[ . 1 . 2]" 1
395 1 14 ILE HA 1 14 ILE HG12 . . 3.780 3.200 2.645 3.562 . 0 0 "[ . 1 . 2]" 1
396 1 14 ILE HA 1 14 ILE QG . . 3.310 2.674 2.308 3.040 . 0 0 "[ . 1 . 2]" 1
397 1 14 ILE HA 1 14 ILE HG13 . . 3.780 3.136 2.339 3.770 . 0 0 "[ . 1 . 2]" 1
398 1 14 ILE HA 1 14 ILE MG . . 3.200 2.304 2.219 2.371 . 0 0 "[ . 1 . 2]" 1
399 1 14 ILE HA 1 15 ARG H . . 3.570 2.189 2.140 2.238 . 0 0 "[ . 1 . 2]" 1
400 1 14 ILE HB 1 14 ILE MD . . 3.230 2.717 2.118 3.230 . 0 0 "[ . 1 . 2]" 1
401 1 14 ILE HB 1 14 ILE HG12 . . 3.020 2.605 2.435 3.020 0.000 17 0 "[ . 1 . 2]" 1
402 1 14 ILE HB 1 14 ILE QG . . 2.540 2.325 2.187 2.492 . 0 0 "[ . 1 . 2]" 1
403 1 14 ILE HB 1 14 ILE HG13 . . 3.020 2.658 2.444 2.989 . 0 0 "[ . 1 . 2]" 1
404 1 14 ILE HB 1 14 ILE MG . . 2.130 2.106 2.086 2.127 . 0 0 "[ . 1 . 2]" 1
405 1 14 ILE HB 1 15 ARG H . . 4.450 4.173 3.893 4.434 . 0 0 "[ . 1 . 2]" 1
406 1 14 ILE MD 1 14 ILE HG12 . . 2.120 2.093 2.072 2.118 . 0 0 "[ . 1 . 2]" 1
407 1 14 ILE MD 1 14 ILE QG . . 1.890 1.865 1.846 1.888 . 0 0 "[ . 1 . 2]" 1
408 1 14 ILE MD 1 14 ILE HG13 . . 2.120 2.094 2.073 2.119 . 0 0 "[ . 1 . 2]" 1
409 1 14 ILE MD 1 14 ILE MG . . 3.230 2.440 1.957 3.154 . 0 0 "[ . 1 . 2]" 1
410 1 14 ILE QG 1 14 ILE MG . . 2.510 2.172 1.977 2.305 . 0 0 "[ . 1 . 2]" 1
411 1 14 ILE QG 1 15 ARG H . . 4.760 4.445 4.018 4.837 0.077 9 0 "[ . 1 . 2]" 1
412 1 14 ILE HG12 1 14 ILE MG . . 3.190 2.675 2.034 3.202 0.012 11 0 "[ . 1 . 2]" 1
413 1 14 ILE HG13 1 14 ILE MG . . 3.190 2.569 2.241 3.193 0.003 1 0 "[ . 1 . 2]" 1
414 1 14 ILE MG 1 15 ARG H . . 4.350 2.635 2.108 3.219 . 0 0 "[ . 1 . 2]" 1
415 1 15 ARG H 1 15 ARG HA . . 2.950 2.855 2.759 2.924 . 0 0 "[ . 1 . 2]" 1
416 1 15 ARG H 1 15 ARG QB . . 3.250 2.400 2.112 2.752 . 0 0 "[ . 1 . 2]" 1
417 1 15 ARG H 1 15 ARG HD2 . . 6.090 4.943 3.630 5.976 . 0 0 "[ . 1 . 2]" 1
418 1 15 ARG H 1 15 ARG QD . . 5.190 4.417 3.491 4.964 . 0 0 "[ . 1 . 2]" 1
419 1 15 ARG H 1 15 ARG HD3 . . 6.090 5.147 3.987 5.970 . 0 0 "[ . 1 . 2]" 1
420 1 15 ARG H 1 15 ARG HE . . 7.300 5.765 3.365 7.402 0.102 17 0 "[ . 1 . 2]" 1
421 1 15 ARG H 1 15 ARG HG2 . . 4.910 3.856 2.217 4.757 . 0 0 "[ . 1 . 2]" 1
422 1 15 ARG H 1 15 ARG QG . . 4.270 3.473 2.090 4.315 0.045 7 0 "[ . 1 . 2]" 1
423 1 15 ARG H 1 15 ARG HG3 . . 4.910 4.116 2.552 5.084 0.174 7 0 "[ . 1 . 2]" 1
424 1 15 ARG H 1 15 ARG QH1 . . 7.450 5.861 3.669 6.801 . 0 0 "[ . 1 . 2]" 1
425 1 15 ARG H 1 15 ARG QH2 . . 7.970 6.940 5.053 8.210 0.240 11 0 "[ . 1 . 2]" 1
426 1 15 ARG H 1 16 GLY H . . 4.640 4.506 4.178 4.632 . 0 0 "[ . 1 . 2]" 1
427 1 15 ARG HA 1 15 ARG QB . . 2.540 2.348 2.175 2.517 . 0 0 "[ . 1 . 2]" 1
428 1 15 ARG HA 1 15 ARG HD2 . . 5.260 4.258 2.491 5.475 0.215 18 0 "[ . 1 . 2]" 1
429 1 15 ARG HA 1 15 ARG QD . . 4.280 3.823 2.264 4.451 0.171 10 0 "[ . 1 . 2]" 1
430 1 15 ARG HA 1 15 ARG HD3 . . 5.260 4.448 2.600 5.515 0.255 10 0 "[ . 1 . 2]" 1
431 1 15 ARG HA 1 15 ARG HE . . 6.040 5.139 4.064 6.378 0.338 9 0 "[ . 1 . 2]" 1
432 1 15 ARG HA 1 15 ARG HG2 . . 3.880 3.097 2.209 3.847 . 0 0 "[ . 1 . 2]" 1
433 1 15 ARG HA 1 15 ARG QG . . 3.390 2.603 2.183 3.328 . 0 0 "[ . 1 . 2]" 1
434 1 15 ARG HA 1 15 ARG HG3 . . 3.880 3.054 2.297 3.777 . 0 0 "[ . 1 . 2]" 1
435 1 15 ARG HA 1 15 ARG QH1 . . 6.620 5.493 3.367 6.577 . 0 0 "[ . 1 . 2]" 1
436 1 15 ARG HA 1 15 ARG QH2 . . 7.620 6.563 5.618 7.508 . 0 0 "[ . 1 . 2]" 1
437 1 15 ARG HA 1 16 GLY H . . 3.570 2.203 2.151 2.262 . 0 0 "[ . 1 . 2]" 1
438 1 15 ARG HA 1 16 GLY QA . . 4.450 3.958 3.922 3.992 . 0 0 "[ . 1 . 2]" 1
439 1 15 ARG QB 1 15 ARG HD2 . . 3.390 2.428 2.061 3.251 . 0 0 "[ . 1 . 2]" 1
440 1 15 ARG QB 1 15 ARG QD . . 2.350 2.165 2.002 2.578 0.228 12 0 "[ . 1 . 2]" 1
441 1 15 ARG QB 1 15 ARG HD3 . . 3.390 2.735 2.099 3.400 0.010 3 0 "[ . 1 . 2]" 1
442 1 15 ARG QB 1 15 ARG HE . . 4.270 3.422 2.058 4.327 0.057 7 0 "[ . 1 . 2]" 1
443 1 15 ARG QB 1 15 ARG HG2 . . 2.530 2.337 2.208 2.469 . 0 0 "[ . 1 . 2]" 1
444 1 15 ARG QB 1 15 ARG QG . . 2.090 2.065 2.006 2.087 . 0 0 "[ . 1 . 2]" 1
445 1 15 ARG QB 1 15 ARG HG3 . . 2.530 2.327 2.142 2.472 . 0 0 "[ . 1 . 2]" 1
446 1 15 ARG QB 1 15 ARG QH1 . . 4.230 3.576 1.946 4.111 . 0 0 "[ . 1 . 2]" 1
447 1 15 ARG QB 1 15 ARG QH2 . . 5.370 4.743 3.719 5.372 0.002 1 0 "[ . 1 . 2]" 1
448 1 15 ARG QB 1 16 GLY H . . 4.030 3.367 2.832 3.774 . 0 0 "[ . 1 . 2]" 1
449 1 15 ARG QB 1 16 GLY HA2 . . 4.760 4.976 4.437 5.360 0.600 15 4 "[ *. * 1 + -]" 1
450 1 15 ARG QB 1 16 GLY QA . . 4.420 4.045 3.600 4.357 . 0 0 "[ . 1 . 2]" 1
451 1 15 ARG QB 1 16 GLY HA3 . . 4.760 4.284 3.807 4.616 . 0 0 "[ . 1 . 2]" 1
452 1 15 ARG QD 1 15 ARG HE . . 2.490 2.358 2.196 2.491 0.001 12 0 "[ . 1 . 2]" 1
453 1 15 ARG QD 1 15 ARG HG2 . . 2.530 2.271 2.153 2.471 . 0 0 "[ . 1 . 2]" 1
454 1 15 ARG QD 1 15 ARG QG . . 2.090 2.053 1.991 2.090 0.000 11 0 "[ . 1 . 2]" 1
455 1 15 ARG QD 1 15 ARG HG3 . . 2.530 2.373 2.154 2.525 . 0 0 "[ . 1 . 2]" 1
456 1 15 ARG QD 1 15 ARG QH1 . . 2.100 1.960 1.900 2.018 . 0 0 "[ . 1 . 2]" 1
457 1 15 ARG QD 1 15 ARG QH2 . . 3.680 3.635 3.610 3.669 . 0 0 "[ . 1 . 2]" 1
458 1 15 ARG HD2 1 15 ARG HE . . 2.880 2.693 2.282 2.879 . 0 0 "[ . 1 . 2]" 1
459 1 15 ARG HD2 1 15 ARG HG2 . . 2.980 2.811 2.399 3.016 0.036 11 0 "[ . 1 . 2]" 1
460 1 15 ARG HD2 1 15 ARG QG . . 2.530 2.372 2.154 2.524 . 0 0 "[ . 1 . 2]" 1
461 1 15 ARG HD2 1 15 ARG HG3 . . 2.980 2.635 2.283 3.017 0.037 12 0 "[ . 1 . 2]" 1
462 1 15 ARG HD2 1 15 ARG QH1 . . 3.420 2.447 1.945 3.416 . 0 0 "[ . 1 . 2]" 1
463 1 15 ARG HD2 1 15 ARG QH2 . . 4.240 4.085 4.008 4.236 . 0 0 "[ . 1 . 2]" 1
464 1 15 ARG HD3 1 15 ARG HE . . 2.880 2.702 2.285 2.877 . 0 0 "[ . 1 . 2]" 1
465 1 15 ARG HD3 1 15 ARG HG2 . . 2.980 2.454 2.223 2.993 0.013 14 0 "[ . 1 . 2]" 1
466 1 15 ARG HD3 1 15 ARG QG . . 2.530 2.271 2.154 2.470 . 0 0 "[ . 1 . 2]" 1
467 1 15 ARG HD3 1 15 ARG HG3 . . 2.980 2.813 2.404 3.016 0.036 13 0 "[ . 1 . 2]" 1
468 1 15 ARG HD3 1 15 ARG QH1 . . 3.420 2.444 1.958 3.411 . 0 0 "[ . 1 . 2]" 1
469 1 15 ARG HD3 1 15 ARG QH2 . . 4.240 4.085 4.010 4.236 . 0 0 "[ . 1 . 2]" 1
470 1 15 ARG HE 1 15 ARG HG2 . . 3.560 3.220 2.274 3.672 0.112 16 0 "[ . 1 . 2]" 1
471 1 15 ARG HE 1 15 ARG QG . . 3.150 2.557 2.154 3.115 . 0 0 "[ . 1 . 2]" 1
472 1 15 ARG HE 1 15 ARG HG3 . . 3.560 2.849 2.213 4.012 0.452 14 0 "[ . 1 . 2]" 1
473 1 15 ARG HE 1 15 ARG QH1 . . 3.280 3.279 3.278 3.280 . 0 0 "[ . 1 . 2]" 1
474 1 15 ARG QG 1 15 ARG QH1 . . 3.850 3.103 2.044 3.841 . 0 0 "[ . 1 . 2]" 1
475 1 15 ARG QG 1 15 ARG QH2 . . 4.190 4.000 3.758 4.383 0.193 4 0 "[ . 1 . 2]" 1
476 1 15 ARG QG 1 16 GLY H . . 4.360 3.101 2.282 4.225 . 0 0 "[ . 1 . 2]" 1
477 1 15 ARG HG2 1 15 ARG QH1 . . 4.400 3.542 2.060 4.397 . 0 0 "[ . 1 . 2]" 1
478 1 15 ARG HG2 1 15 ARG QH2 . . 5.370 4.706 3.997 5.438 0.068 12 0 "[ . 1 . 2]" 1
479 1 15 ARG HG3 1 15 ARG QH1 . . 4.400 3.739 2.264 4.383 . 0 0 "[ . 1 . 2]" 1
480 1 15 ARG HG3 1 15 ARG QH2 . . 5.370 4.465 3.909 5.388 0.018 18 0 "[ . 1 . 2]" 1
481 1 16 GLY H 1 16 GLY HA2 . . 2.950 2.296 2.294 2.297 . 0 0 "[ . 1 . 2]" 1
482 1 16 GLY H 1 16 GLY QA . . 2.500 2.194 2.192 2.196 . 0 0 "[ . 1 . 2]" 1
483 1 16 GLY H 1 16 GLY HA3 . . 2.950 2.788 2.769 2.802 . 0 0 "[ . 1 . 2]" 1
484 1 16 GLY H 1 17 ARG H . . 4.580 3.701 2.800 4.364 . 0 0 "[ . 1 . 2]" 1
485 1 16 GLY QA 1 17 ARG H . . 2.480 2.317 2.143 2.704 0.224 9 0 "[ . 1 . 2]" 1
486 1 16 GLY QA 1 17 ARG HA . . 4.330 4.031 3.933 4.209 . 0 0 "[ . 1 . 2]" 1
487 1 16 GLY QA 1 17 ARG QB . . 4.350 4.020 3.813 4.293 . 0 0 "[ . 1 . 2]" 1
488 1 16 GLY HA2 1 17 ARG H . . 3.570 2.969 2.220 3.427 . 0 0 "[ . 1 . 2]" 1
489 1 16 GLY HA3 1 17 ARG H . . 3.570 2.862 2.167 3.569 . 0 0 "[ . 1 . 2]" 1
490 1 17 ARG H 1 17 ARG HA . . 2.950 2.865 2.776 2.923 . 0 0 "[ . 1 . 2]" 1
491 1 17 ARG H 1 17 ARG HB2 . . 3.930 2.481 2.313 2.743 . 0 0 "[ . 1 . 2]" 1
492 1 17 ARG H 1 17 ARG QB . . 3.140 2.267 2.199 2.351 . 0 0 "[ . 1 . 2]" 1
493 1 17 ARG H 1 17 ARG HB3 . . 3.930 2.662 2.433 2.767 . 0 0 "[ . 1 . 2]" 1
494 1 17 ARG H 1 17 ARG HD2 . . 6.370 4.934 4.259 5.944 . 0 0 "[ . 1 . 2]" 1
495 1 17 ARG H 1 17 ARG QD . . 5.060 4.389 4.100 4.647 . 0 0 "[ . 1 . 2]" 1
496 1 17 ARG H 1 17 ARG HD3 . . 6.370 5.180 4.350 5.921 . 0 0 "[ . 1 . 2]" 1
497 1 17 ARG H 1 17 ARG HE . . 7.260 5.766 4.445 6.899 . 0 0 "[ . 1 . 2]" 1
498 1 17 ARG H 1 17 ARG HG2 . . 5.020 4.510 4.291 4.723 . 0 0 "[ . 1 . 2]" 1
499 1 17 ARG H 1 17 ARG QG . . 4.370 3.999 3.911 4.108 . 0 0 "[ . 1 . 2]" 1
500 1 17 ARG H 1 17 ARG HG3 . . 5.020 4.481 4.328 4.693 . 0 0 "[ . 1 . 2]" 1
501 1 17 ARG H 1 17 ARG QH1 . . 6.800 6.281 5.534 6.793 . 0 0 "[ . 1 . 2]" 1
502 1 17 ARG H 1 17 ARG QH2 . . 8.190 7.128 5.843 8.073 . 0 0 "[ . 1 . 2]" 1
503 1 17 ARG HA 1 17 ARG HB2 . . 3.010 2.544 2.433 2.610 . 0 0 "[ . 1 . 2]" 1
504 1 17 ARG HA 1 17 ARG QB . . 2.540 2.416 2.337 2.457 . 0 0 "[ . 1 . 2]" 1
505 1 17 ARG HA 1 17 ARG HB3 . . 3.010 3.013 2.998 3.023 0.013 16 0 "[ . 1 . 2]" 1
506 1 17 ARG HA 1 17 ARG HD2 . . 4.580 3.780 2.121 4.802 0.222 11 0 "[ . 1 . 2]" 1
507 1 17 ARG HA 1 17 ARG QD . . 4.090 3.296 2.090 4.191 0.101 3 0 "[ . 1 . 2]" 1
508 1 17 ARG HA 1 17 ARG HD3 . . 4.580 3.942 2.155 4.893 0.313 3 0 "[ . 1 . 2]" 1
509 1 17 ARG HA 1 17 ARG HE . . 5.760 4.345 2.189 5.788 0.028 16 0 "[ . 1 . 2]" 1
510 1 17 ARG HA 1 17 ARG HG2 . . 4.040 3.024 2.220 3.818 . 0 0 "[ . 1 . 2]" 1
511 1 17 ARG HA 1 17 ARG QG . . 3.360 2.426 2.197 2.933 . 0 0 "[ . 1 . 2]" 1
512 1 17 ARG HA 1 17 ARG HG3 . . 4.040 2.886 2.310 3.561 . 0 0 "[ . 1 . 2]" 1
513 1 17 ARG HA 1 17 ARG QH1 . . 6.260 5.036 3.461 6.319 0.059 3 0 "[ . 1 . 2]" 1
514 1 17 ARG HA 1 17 ARG QH2 . . 7.420 5.811 3.392 6.776 . 0 0 "[ . 1 . 2]" 1
515 1 17 ARG QB 1 17 ARG HD2 . . 3.250 2.541 2.066 3.440 0.190 13 0 "[ . 1 . 2]" 1
516 1 17 ARG QB 1 17 ARG QD . . 2.270 2.225 2.004 2.554 0.284 2 0 "[ . 1 . 2]" 1
517 1 17 ARG QB 1 17 ARG HD3 . . 3.250 2.772 2.078 3.397 0.147 18 0 "[ . 1 . 2]" 1
518 1 17 ARG QB 1 17 ARG HE . . 4.290 3.326 2.020 4.146 . 0 0 "[ . 1 . 2]" 1
519 1 17 ARG QB 1 17 ARG HG2 . . 2.530 2.313 2.151 2.469 . 0 0 "[ . 1 . 2]" 1
520 1 17 ARG QB 1 17 ARG QG . . 2.090 2.040 2.010 2.087 . 0 0 "[ . 1 . 2]" 1
521 1 17 ARG QB 1 17 ARG HG3 . . 2.530 2.314 2.143 2.470 . 0 0 "[ . 1 . 2]" 1
522 1 17 ARG QB 1 17 ARG QH1 . . 4.150 3.985 3.051 4.348 0.198 2 0 "[ . 1 . 2]" 1
523 1 17 ARG QB 1 17 ARG QH2 . . 5.420 4.836 3.821 5.521 0.101 7 0 "[ . 1 . 2]" 1
524 1 17 ARG HB2 1 17 ARG HD2 . . 3.990 3.009 2.098 4.079 0.089 6 0 "[ . 1 . 2]" 1
525 1 17 ARG HB2 1 17 ARG QD . . 3.240 2.663 2.062 3.497 0.257 20 0 "[ . 1 . 2]" 1
526 1 17 ARG HB2 1 17 ARG HD3 . . 3.990 3.302 2.373 4.203 0.213 18 0 "[ . 1 . 2]" 1
527 1 17 ARG HB2 1 17 ARG HE . . 4.950 3.840 2.161 4.936 . 0 0 "[ . 1 . 2]" 1
528 1 17 ARG HB2 1 17 ARG HG2 . . 2.980 2.748 2.502 3.012 0.032 16 0 "[ . 1 . 2]" 1
529 1 17 ARG HB2 1 17 ARG QG . . 2.520 2.313 2.145 2.470 . 0 0 "[ . 1 . 2]" 1
530 1 17 ARG HB2 1 17 ARG HG3 . . 2.980 2.574 2.270 3.006 0.026 14 0 "[ . 1 . 2]" 1
531 1 17 ARG HB2 1 17 ARG QH1 . . 5.330 4.583 3.130 5.513 0.183 18 0 "[ . 1 . 2]" 1
532 1 17 ARG HB2 1 17 ARG QH2 . . 6.360 5.487 4.100 6.446 0.086 12 0 "[ . 1 . 2]" 1
533 1 17 ARG HB3 1 17 ARG HD2 . . 3.990 3.098 2.170 4.222 0.232 2 0 "[ . 1 . 2]" 1
534 1 17 ARG HB3 1 17 ARG QD . . 3.240 2.691 2.078 3.473 0.233 2 0 "[ . 1 . 2]" 1
535 1 17 ARG HB3 1 17 ARG HD3 . . 3.990 3.212 2.096 4.167 0.177 14 0 "[ . 1 . 2]" 1
536 1 17 ARG HB3 1 17 ARG HE . . 4.950 3.916 2.040 4.638 . 0 0 "[ . 1 . 2]" 1
537 1 17 ARG HB3 1 17 ARG HG2 . . 2.980 2.560 2.280 2.987 0.007 15 0 "[ . 1 . 2]" 1
538 1 17 ARG HB3 1 17 ARG QG . . 2.520 2.312 2.154 2.462 . 0 0 "[ . 1 . 2]" 1
539 1 17 ARG HB3 1 17 ARG HG3 . . 2.980 2.748 2.511 3.011 0.031 16 0 "[ . 1 . 2]" 1
540 1 17 ARG HB3 1 17 ARG QH1 . . 5.330 4.644 3.906 5.559 0.229 2 0 "[ . 1 . 2]" 1
541 1 17 ARG HB3 1 17 ARG QH2 . . 6.360 5.587 3.934 6.453 0.093 7 0 "[ . 1 . 2]" 1
542 1 17 ARG QD 1 17 ARG HE . . 2.490 2.430 2.200 2.492 0.002 14 0 "[ . 1 . 2]" 1
543 1 17 ARG QD 1 17 ARG HG2 . . 2.480 2.282 2.150 2.473 . 0 0 "[ . 1 . 2]" 1
544 1 17 ARG QD 1 17 ARG QG . . 2.090 2.051 2.006 2.090 0.000 1 0 "[ . 1 . 2]" 1
545 1 17 ARG QD 1 17 ARG HG3 . . 2.480 2.359 2.153 2.474 . 0 0 "[ . 1 . 2]" 1
546 1 17 ARG QD 1 17 ARG QH1 . . 2.010 1.963 1.904 1.997 . 0 0 "[ . 1 . 2]" 1
547 1 17 ARG QD 1 17 ARG QH2 . . 3.670 3.621 3.610 3.667 . 0 0 "[ . 1 . 2]" 1
548 1 17 ARG HD2 1 17 ARG HE . . 2.880 2.711 2.286 2.878 . 0 0 "[ . 1 . 2]" 1
549 1 17 ARG HD2 1 17 ARG HG2 . . 2.990 2.784 2.460 3.015 0.025 1 0 "[ . 1 . 2]" 1
550 1 17 ARG HD2 1 17 ARG QG . . 2.480 2.358 2.153 2.471 . 0 0 "[ . 1 . 2]" 1
551 1 17 ARG HD2 1 17 ARG HG3 . . 2.990 2.626 2.280 3.016 0.026 20 0 "[ . 1 . 2]" 1
552 1 17 ARG HD2 1 17 ARG QH1 . . 3.410 2.440 1.952 3.410 . 0 0 "[ . 1 . 2]" 1
553 1 17 ARG HD2 1 17 ARG QH2 . . 4.240 4.083 4.009 4.235 . 0 0 "[ . 1 . 2]" 1
554 1 17 ARG HD3 1 17 ARG HE . . 2.880 2.791 2.295 2.878 . 0 0 "[ . 1 . 2]" 1
555 1 17 ARG HD3 1 17 ARG HG2 . . 2.990 2.490 2.277 3.010 0.020 11 0 "[ . 1 . 2]" 1
556 1 17 ARG HD3 1 17 ARG QG . . 2.480 2.282 2.151 2.473 . 0 0 "[ . 1 . 2]" 1
557 1 17 ARG HD3 1 17 ARG HG3 . . 2.990 2.785 2.465 3.016 0.026 1 0 "[ . 1 . 2]" 1
558 1 17 ARG HD3 1 17 ARG QH1 . . 3.410 2.226 1.953 3.395 . 0 0 "[ . 1 . 2]" 1
559 1 17 ARG HD3 1 17 ARG QH2 . . 4.240 4.051 4.009 4.233 . 0 0 "[ . 1 . 2]" 1
560 1 17 ARG HE 1 17 ARG HG2 . . 3.750 2.995 2.197 4.025 0.275 19 0 "[ . 1 . 2]" 1
561 1 17 ARG HE 1 17 ARG QG . . 3.060 2.425 2.175 3.152 0.092 19 0 "[ . 1 . 2]" 1
562 1 17 ARG HE 1 17 ARG HG3 . . 3.750 2.808 2.238 3.615 . 0 0 "[ . 1 . 2]" 1
563 1 17 ARG HE 1 17 ARG QH1 . . 3.280 3.279 3.278 3.279 . 0 0 "[ . 1 . 2]" 1
564 1 17 ARG QG 1 17 ARG QH1 . . 3.840 3.480 2.100 3.844 0.004 6 0 "[ . 1 . 2]" 1
565 1 17 ARG QG 1 17 ARG QH2 . . 4.170 4.062 3.801 4.296 0.126 20 0 "[ . 1 . 2]" 1
566 1 17 ARG HG2 1 17 ARG QH1 . . 4.370 3.998 2.122 4.359 . 0 0 "[ . 1 . 2]" 1
567 1 17 ARG HG2 1 17 ARG QH2 . . 5.390 4.775 4.300 5.433 0.043 20 0 "[ . 1 . 2]" 1
568 1 17 ARG HG3 1 17 ARG QH1 . . 4.370 3.927 2.244 4.371 0.001 5 0 "[ . 1 . 2]" 1
569 1 17 ARG HG3 1 17 ARG QH2 . . 5.390 4.556 3.990 5.428 0.038 11 0 "[ . 1 . 2]" 1
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