NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
613768 |
5ktf   |
30137 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ktf
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 544
_Distance_constraint_stats_list.Viol_count 805
_Distance_constraint_stats_list.Viol_total 980.041
_Distance_constraint_stats_list.Viol_max 0.439
_Distance_constraint_stats_list.Viol_rms 0.0231
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0609
_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 2 SER 0.364 0.209 6 0 "[ . 1 . 2]"
1 3 LYS 0.785 0.265 18 0 "[ . 1 . 2]"
1 4 ILE 0.683 0.209 6 0 "[ . 1 . 2]"
1 5 GLU 1.484 0.079 6 0 "[ . 1 . 2]"
1 6 PRO 1.330 0.079 6 0 "[ . 1 . 2]"
1 7 VAL 0.143 0.037 15 0 "[ . 1 . 2]"
1 8 VAL 0.079 0.018 13 0 "[ . 1 . 2]"
1 9 LEU 2.905 0.111 10 0 "[ . 1 . 2]"
1 10 PRO 1.544 0.111 10 0 "[ . 1 . 2]"
1 11 LEU 3.113 0.216 6 0 "[ . 1 . 2]"
1 12 LEU 1.013 0.158 12 0 "[ . 1 . 2]"
1 13 TRP 0.506 0.158 12 0 "[ . 1 . 2]"
1 14 PHE 2.211 0.196 11 0 "[ . 1 . 2]"
1 15 GLU 2.315 0.131 15 0 "[ . 1 . 2]"
1 16 GLN 3.018 0.196 11 0 "[ . 1 . 2]"
1 17 SER 0.901 0.145 7 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.901 0.145 7 0 "[ . 1 . 2]"
1 20 MET 0.076 0.037 7 0 "[ . 1 . 2]"
1 21 GLY 0.076 0.037 7 0 "[ . 1 . 2]"
1 22 GLY 0.593 0.253 3 0 "[ . 1 . 2]"
1 23 LYS 1.156 0.253 3 0 "[ . 1 . 2]"
1 24 PRO 0.152 0.072 9 0 "[ . 1 . 2]"
1 25 LEU 0.169 0.057 17 0 "[ . 1 . 2]"
1 26 SER 0.040 0.040 2 0 "[ . 1 . 2]"
1 27 THR 0.089 0.057 17 0 "[ . 1 . 2]"
1 28 PHE 2.053 0.134 6 0 "[ . 1 . 2]"
1 29 TYR 0.480 0.439 7 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.633 0.085 17 0 "[ . 1 . 2]"
1 32 LEU 1.247 0.225 14 0 "[ . 1 . 2]"
1 33 VAL 0.408 0.079 6 0 "[ . 1 . 2]"
1 34 LEU 8.558 0.294 10 0 "[ . 1 . 2]"
1 35 MET 2.407 0.225 14 0 "[ . 1 . 2]"
1 36 PRO 0.252 0.092 20 0 "[ . 1 . 2]"
1 37 GLN 0.179 0.066 20 0 "[ . 1 . 2]"
1 38 VAL 0.179 0.066 20 0 "[ . 1 . 2]"
1 39 LEU 1.056 0.236 4 0 "[ . 1 . 2]"
1 40 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 1.740 0.308 8 0 "[ . 1 . 2]"
1 42 ALA 1.980 0.099 12 0 "[ . 1 . 2]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 TYR 2.715 0.129 11 0 "[ . 1 . 2]"
1 45 VAL 0.463 0.094 9 0 "[ . 1 . 2]"
1 46 LEU 3.505 0.132 8 0 "[ . 1 . 2]"
1 47 LEU 0.960 0.122 18 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.025 0.011 3 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.025 0.011 3 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.512 0.143 5 0 "[ . 1 . 2]"
1 55 LEU 0.512 0.143 5 0 "[ . 1 . 2]"
1 56 VAL 0.478 0.040 14 0 "[ . 1 . 2]"
1 57 PRO 0.011 0.004 18 0 "[ . 1 . 2]"
1 58 ILE 0.462 0.102 16 0 "[ . 1 . 2]"
1 59 ILE 0.054 0.035 17 0 "[ . 1 . 2]"
1 60 CYS 0.732 0.089 18 0 "[ . 1 . 2]"
1 61 GLN 4.888 0.360 13 0 "[ . 1 . 2]"
1 62 LEU 6.982 0.360 13 0 "[ . 1 . 2]"
1 63 ARG 0.616 0.089 18 0 "[ . 1 . 2]"
1 64 SER 0.453 0.092 13 0 "[ . 1 . 2]"
1 65 GLN 0.963 0.186 7 0 "[ . 1 . 2]"
1 66 GLU 0.120 0.027 1 0 "[ . 1 . 2]"
1 67 LYS 2.777 0.127 6 0 "[ . 1 . 2]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 0.470 0.060 2 0 "[ . 1 . 2]"
1 70 LEU 0.397 0.169 7 0 "[ . 1 . 2]"
1 71 PHE 0.602 0.169 7 0 "[ . 1 . 2]"
1 72 TRP 0.668 0.086 11 0 "[ . 1 . 2]"
1 73 SER 0.271 0.086 11 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 SER HA 1 3 LYS HA . . 5.100 4.620 4.312 4.796 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 4 ILE MG . . 4.120 3.888 3.001 4.329 0.209 6 0 "[ . 1 . 2]" 1
3 1 2 SER QB 1 3 LYS HA . . 5.310 4.376 4.035 4.818 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 4 ILE H . . 5.150 2.473 2.307 2.672 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS HA 1 3 LYS HD2 . . 4.930 3.568 2.116 4.775 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS HA 1 3 LYS QD . . 4.150 3.006 2.050 4.212 0.062 13 0 "[ . 1 . 2]" 1
7 1 3 LYS HA 1 3 LYS HD3 . . 4.930 3.503 2.087 4.859 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS HA 1 3 LYS HE2 . . 5.500 4.776 3.696 5.765 0.265 18 0 "[ . 1 . 2]" 1
9 1 3 LYS HA 1 3 LYS HE3 . . 5.500 4.828 2.773 5.561 0.061 13 0 "[ . 1 . 2]" 1
10 1 3 LYS QB 1 3 LYS QD . . 2.920 2.303 2.038 2.805 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS QB 1 3 LYS QE . . 3.900 3.397 1.915 3.835 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS HB2 1 3 LYS HD2 . . 4.160 3.158 2.321 3.765 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS HB2 1 3 LYS HD3 . . 4.160 3.094 2.465 3.778 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS HB2 1 3 LYS HE2 . . 5.380 4.431 2.021 5.443 0.063 3 0 "[ . 1 . 2]" 1
15 1 3 LYS HB2 1 3 LYS HE3 . . 5.380 4.344 2.033 4.805 . 0 0 "[ . 1 . 2]" 1
16 1 3 LYS HB2 1 4 ILE H . . 5.500 3.470 2.545 4.138 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS HB2 1 4 ILE MG . . 5.500 4.735 3.631 5.424 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS HB3 1 3 LYS HD2 . . 4.160 3.141 2.424 4.208 0.048 1 0 "[ . 1 . 2]" 1
19 1 3 LYS HB3 1 3 LYS HD3 . . 4.160 3.171 2.420 3.729 . 0 0 "[ . 1 . 2]" 1
20 1 3 LYS HB3 1 3 LYS HE2 . . 5.380 4.439 1.998 5.462 0.082 5 0 "[ . 1 . 2]" 1
21 1 3 LYS HB3 1 3 LYS HE3 . . 5.380 4.489 2.797 5.463 0.083 9 0 "[ . 1 . 2]" 1
22 1 3 LYS HB3 1 4 ILE H . . 5.500 3.519 2.674 4.139 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS HB3 1 4 ILE MG . . 5.500 4.827 3.792 5.512 0.012 14 0 "[ . 1 . 2]" 1
24 1 3 LYS QD 1 3 LYS QG . . 2.350 2.075 1.991 2.099 . 0 0 "[ . 1 . 2]" 1
25 1 3 LYS QD 1 4 ILE H . . 5.290 4.528 2.077 5.219 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE H 1 4 ILE HB . . 4.070 2.713 2.585 2.799 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE H 1 4 ILE MD . . 4.560 4.400 4.171 4.521 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE H 1 4 ILE HG12 . . 4.740 4.545 4.415 4.755 0.015 6 0 "[ . 1 . 2]" 1
29 1 4 ILE H 1 4 ILE HG13 . . 4.740 4.535 4.440 4.593 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE H 1 4 ILE MG . . 4.630 1.949 1.860 2.087 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE H 1 5 GLU H . . 4.070 2.404 2.267 2.582 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE H 1 7 VAL H . . 5.500 5.339 5.149 5.537 0.037 15 0 "[ . 1 . 2]" 1
33 1 4 ILE HA 1 4 ILE MD . . 4.510 3.310 2.024 3.870 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE HA 1 6 PRO HD2 . . 4.940 3.863 3.617 4.462 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HA 1 6 PRO HG2 . . 5.340 4.496 4.091 5.359 0.019 2 0 "[ . 1 . 2]" 1
36 1 4 ILE HB 1 5 GLU H . . 4.620 4.283 4.205 4.381 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE HG12 1 4 ILE MG . . 3.750 2.390 2.276 2.467 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HG13 1 4 ILE MG . . 3.750 2.982 2.390 3.228 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE MG 1 5 GLU H . . 4.610 2.793 2.427 3.083 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE MG 1 5 GLU QB . . 4.290 3.996 3.387 4.352 0.062 15 0 "[ . 1 . 2]" 1
41 1 4 ILE MG 1 5 GLU QG . . 4.760 3.464 2.573 4.790 0.030 20 0 "[ . 1 . 2]" 1
42 1 5 GLU H 1 5 GLU QB . . 3.680 2.415 2.214 2.565 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLU H 1 5 GLU QG . . 4.180 2.778 2.132 4.068 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLU H 1 6 PRO HA . . 5.500 5.521 5.452 5.554 0.054 15 0 "[ . 1 . 2]" 1
45 1 5 GLU H 1 6 PRO HD2 . . 4.410 2.155 2.100 2.192 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLU H 1 6 PRO HD3 . . 4.340 3.332 3.138 3.413 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLU H 1 6 PRO HG2 . . 4.260 4.294 4.234 4.333 0.073 10 0 "[ . 1 . 2]" 1
48 1 5 GLU HA 1 8 VAL H . . 5.110 3.609 3.146 4.631 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLU QB 1 6 PRO HD3 . . 4.150 2.184 1.955 2.394 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLU QG 1 6 PRO HD3 . . 4.160 3.937 3.219 4.239 0.079 6 0 "[ . 1 . 2]" 1
51 1 6 PRO HD2 1 7 VAL H . . 4.930 3.044 2.793 3.362 . 0 0 "[ . 1 . 2]" 1
52 1 6 PRO HD3 1 7 VAL H . . 5.270 4.045 3.907 4.246 . 0 0 "[ . 1 . 2]" 1
53 1 7 VAL H 1 7 VAL QG . . 3.870 2.278 2.005 2.610 . 0 0 "[ . 1 . 2]" 1
54 1 7 VAL H 1 8 VAL H . . 3.940 2.310 2.067 2.759 . 0 0 "[ . 1 . 2]" 1
55 1 7 VAL H 1 8 VAL MG2 . . 4.040 3.650 3.350 4.040 0.000 2 0 "[ . 1 . 2]" 1
56 1 7 VAL H 1 9 LEU H . . 5.100 3.951 3.469 4.410 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL HB 1 8 VAL H . . 4.280 2.830 2.547 3.193 . 0 0 "[ . 1 . 2]" 1
58 1 7 VAL HB 1 8 VAL HA . . 4.270 4.242 4.140 4.288 0.018 13 0 "[ . 1 . 2]" 1
59 1 7 VAL QG 1 8 VAL HA . . 4.910 3.511 3.252 3.708 . 0 0 "[ . 1 . 2]" 1
60 1 8 VAL H 1 8 VAL MG2 . . 3.790 2.117 1.989 2.389 . 0 0 "[ . 1 . 2]" 1
61 1 8 VAL H 1 9 LEU H . . 4.110 2.586 2.470 2.716 . 0 0 "[ . 1 . 2]" 1
62 1 8 VAL HA 1 8 VAL MG1 . . 3.700 2.384 2.282 2.447 . 0 0 "[ . 1 . 2]" 1
63 1 8 VAL HA 1 8 VAL MG2 . . 3.330 2.803 2.324 3.237 . 0 0 "[ . 1 . 2]" 1
64 1 8 VAL HA 1 11 LEU H . . 5.500 3.606 3.310 3.857 . 0 0 "[ . 1 . 2]" 1
65 1 8 VAL HA 1 11 LEU QD . . 3.880 2.611 2.098 3.359 . 0 0 "[ . 1 . 2]" 1
66 1 8 VAL HB 1 9 LEU H . . 5.180 3.403 2.631 4.206 . 0 0 "[ . 1 . 2]" 1
67 1 8 VAL MG2 1 9 LEU H . . 3.960 3.236 2.308 3.968 0.008 2 0 "[ . 1 . 2]" 1
68 1 9 LEU H 1 9 LEU HB3 . . 3.930 3.642 3.608 3.684 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU H 1 9 LEU MD1 . . 4.610 2.936 1.844 3.761 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU H 1 9 LEU QD . . 3.820 2.409 1.841 3.274 . 0 0 "[ . 1 . 2]" 1
71 1 9 LEU H 1 9 LEU MD2 . . 4.610 3.369 1.882 4.079 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU H 1 9 LEU HG . . 4.070 3.336 2.356 4.086 0.016 11 0 "[ . 1 . 2]" 1
73 1 9 LEU H 1 10 PRO QD . . 4.160 2.461 2.148 2.651 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU HA 1 9 LEU MD1 . . 3.670 2.966 1.980 3.774 0.104 18 0 "[ . 1 . 2]" 1
75 1 9 LEU HA 1 9 LEU QD . . 3.140 2.296 1.931 2.802 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU HA 1 9 LEU MD2 . . 3.670 2.940 1.941 3.752 0.082 14 0 "[ . 1 . 2]" 1
77 1 9 LEU HA 1 11 LEU H . . 4.550 4.331 4.021 4.610 0.060 19 0 "[ . 1 . 2]" 1
78 1 9 LEU HB2 1 10 PRO QD . . 4.690 2.010 1.865 2.314 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU HB3 1 10 PRO HA . . 4.090 4.167 4.131 4.201 0.111 10 0 "[ . 1 . 2]" 1
80 1 9 LEU HB3 1 10 PRO QD . . 4.020 3.000 2.845 3.156 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU QD 1 10 PRO QD . . 5.050 3.312 3.129 3.527 . 0 0 "[ . 1 . 2]" 1
82 1 10 PRO HA 1 13 TRP QB . . 4.570 3.332 1.991 4.523 . 0 0 "[ . 1 . 2]" 1
83 1 10 PRO QB 1 11 LEU H . . 4.370 2.957 2.524 3.421 . 0 0 "[ . 1 . 2]" 1
84 1 10 PRO QD 1 11 LEU H . . 5.330 2.691 2.038 3.033 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU H 1 11 LEU MD1 . . 4.660 3.731 3.444 3.994 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU H 1 11 LEU MD2 . . 4.660 3.268 1.920 4.178 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU H 1 11 LEU HG . . 3.860 2.627 2.263 4.076 0.216 6 0 "[ . 1 . 2]" 1
88 1 11 LEU H 1 12 LEU H . . 4.090 2.599 2.428 2.834 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU HA 1 11 LEU MD1 . . 3.630 3.584 2.057 3.768 0.138 16 0 "[ . 1 . 2]" 1
90 1 11 LEU HA 1 11 LEU MD2 . . 3.630 2.176 1.959 3.767 0.137 6 0 "[ . 1 . 2]" 1
91 1 11 LEU HA 1 11 LEU HG . . 3.750 3.141 2.378 3.755 0.005 13 0 "[ . 1 . 2]" 1
92 1 11 LEU HA 1 14 PHE QB . . 4.430 2.975 2.006 3.705 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU QB 1 11 LEU MD1 . . 3.110 2.077 2.038 2.373 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU QB 1 11 LEU MD2 . . 3.110 2.340 2.029 2.389 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU QB 1 11 LEU HG . . 2.400 2.313 2.139 2.345 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU QB 1 14 PHE H . . 4.720 4.677 4.428 4.773 0.053 12 0 "[ . 1 . 2]" 1
97 1 12 LEU H 1 12 LEU QB . . 3.650 2.237 2.176 2.516 . 0 0 "[ . 1 . 2]" 1
98 1 12 LEU H 1 12 LEU QD . . 4.570 3.630 2.943 3.785 . 0 0 "[ . 1 . 2]" 1
99 1 12 LEU H 1 12 LEU HG . . 4.440 4.220 2.097 4.464 0.024 7 0 "[ . 1 . 2]" 1
100 1 12 LEU H 1 13 TRP H . . 3.630 2.663 2.470 2.888 . 0 0 "[ . 1 . 2]" 1
101 1 12 LEU HA 1 12 LEU QD . . 3.160 2.235 2.037 3.144 . 0 0 "[ . 1 . 2]" 1
102 1 12 LEU HA 1 12 LEU HG . . 3.560 3.123 2.589 3.264 . 0 0 "[ . 1 . 2]" 1
103 1 12 LEU QD 1 15 GLU HB2 . . 4.960 3.559 2.195 4.897 . 0 0 "[ . 1 . 2]" 1
104 1 12 LEU QD 1 16 GLN QB . . 4.520 4.001 2.747 4.622 0.102 7 0 "[ . 1 . 2]" 1
105 1 12 LEU HG 1 13 TRP H . . 4.080 3.869 3.492 4.238 0.158 12 0 "[ . 1 . 2]" 1
106 1 13 TRP H 1 14 PHE H . . 4.040 2.662 2.457 2.865 . 0 0 "[ . 1 . 2]" 1
107 1 13 TRP H 1 16 GLN QG . . 4.500 4.185 3.972 4.400 . 0 0 "[ . 1 . 2]" 1
108 1 13 TRP HA 1 13 TRP HE3 . . 4.940 3.492 1.966 4.977 0.037 6 0 "[ . 1 . 2]" 1
109 1 13 TRP QB 1 14 PHE H . . 4.380 2.768 2.512 3.068 . 0 0 "[ . 1 . 2]" 1
110 1 14 PHE H 1 14 PHE QB . . 3.920 2.402 2.157 2.558 . 0 0 "[ . 1 . 2]" 1
111 1 14 PHE H 1 15 GLU H . . 3.800 2.438 2.339 2.529 . 0 0 "[ . 1 . 2]" 1
112 1 14 PHE H 1 15 GLU HB2 . . 4.500 4.533 4.418 4.598 0.098 5 0 "[ . 1 . 2]" 1
113 1 14 PHE HA 1 16 GLN QG . . 4.750 4.756 4.347 4.946 0.196 11 0 "[ . 1 . 2]" 1
114 1 14 PHE QB 1 15 GLU H . . 4.410 2.846 2.634 2.993 . 0 0 "[ . 1 . 2]" 1
115 1 15 GLU H 1 15 GLU HB2 . . 3.830 2.371 2.258 2.578 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU H 1 15 GLU HB3 . . 3.920 3.077 2.334 3.597 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU H 1 15 GLU QG . . 4.540 3.136 2.112 4.016 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLU H 1 16 GLN H . . 3.900 2.474 2.366 2.547 . 0 0 "[ . 1 . 2]" 1
119 1 15 GLU H 1 16 GLN HA . . 5.030 5.053 5.024 5.107 0.077 19 0 "[ . 1 . 2]" 1
120 1 15 GLU H 1 16 GLN QB . . 4.680 4.693 4.543 4.765 0.085 4 0 "[ . 1 . 2]" 1
121 1 15 GLU H 1 16 GLN QG . . 5.040 3.798 3.510 4.026 . 0 0 "[ . 1 . 2]" 1
122 1 15 GLU HA 1 17 SER H . . 5.260 4.062 3.644 4.684 . 0 0 "[ . 1 . 2]" 1
123 1 15 GLU HB3 1 16 GLN H . . 4.290 3.129 2.237 3.787 . 0 0 "[ . 1 . 2]" 1
124 1 15 GLU HB3 1 16 GLN HA . . 4.270 4.163 3.968 4.401 0.131 15 0 "[ . 1 . 2]" 1
125 1 16 GLN H 1 16 GLN QB . . 3.630 2.560 2.487 2.661 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLN H 1 16 GLN HG2 . . 4.470 3.176 2.069 3.670 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLN H 1 16 GLN HG3 . . 4.470 2.273 1.854 3.312 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLN H 1 17 SER H . . 4.390 2.621 2.483 2.864 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLN HA 1 16 GLN QG . . 3.550 3.125 2.425 3.543 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLN QB 1 17 SER H . . 4.290 3.347 2.288 3.875 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLN HB2 1 17 SER H . . 5.130 3.646 2.317 4.331 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLN HB3 1 17 SER H . . 5.130 4.073 3.551 4.411 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLN QG 1 17 SER H . . 4.740 3.241 2.484 4.172 . 0 0 "[ . 1 . 2]" 1
134 1 17 SER H 1 18 GLY H . . 4.200 2.359 2.164 2.582 . 0 0 "[ . 1 . 2]" 1
135 1 17 SER HA 1 19 ALA MB . . 4.930 4.927 4.642 5.075 0.145 7 0 "[ . 1 . 2]" 1
136 1 17 SER QB 1 19 ALA H . . 5.120 2.867 2.439 3.851 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLY H 1 19 ALA H . . 4.200 2.438 2.120 2.670 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLY QA 1 19 ALA HA . . 4.480 4.132 4.085 4.172 . 0 0 "[ . 1 . 2]" 1
139 1 19 ALA H 1 19 ALA MB . . 3.670 2.215 2.145 2.251 . 0 0 "[ . 1 . 2]" 1
140 1 19 ALA H 1 20 MET H . . 4.650 2.624 2.443 2.780 . 0 0 "[ . 1 . 2]" 1
141 1 19 ALA H 1 20 MET QB . . 5.300 4.647 4.166 4.964 . 0 0 "[ . 1 . 2]" 1
142 1 19 ALA HA 1 20 MET HA . . 5.250 4.614 4.491 4.760 . 0 0 "[ . 1 . 2]" 1
143 1 19 ALA MB 1 20 MET H . . 4.410 2.788 2.368 3.013 . 0 0 "[ . 1 . 2]" 1
144 1 19 ALA MB 1 20 MET HA . . 5.500 3.997 3.878 4.169 . 0 0 "[ . 1 . 2]" 1
145 1 20 MET H 1 20 MET HG2 . . 5.020 3.898 2.656 4.604 . 0 0 "[ . 1 . 2]" 1
146 1 20 MET H 1 20 MET QG . . 4.330 3.320 2.410 4.074 . 0 0 "[ . 1 . 2]" 1
147 1 20 MET H 1 20 MET HG3 . . 5.020 3.856 2.445 4.655 . 0 0 "[ . 1 . 2]" 1
148 1 20 MET H 1 21 GLY H . . 4.060 2.378 1.901 2.752 . 0 0 "[ . 1 . 2]" 1
149 1 20 MET H 1 21 GLY QA . . 5.160 4.282 3.929 4.605 . 0 0 "[ . 1 . 2]" 1
150 1 20 MET HA 1 20 MET HG2 . . 4.230 3.100 2.482 3.804 . 0 0 "[ . 1 . 2]" 1
151 1 20 MET HA 1 20 MET HG3 . . 4.230 2.979 2.521 3.847 . 0 0 "[ . 1 . 2]" 1
152 1 20 MET HA 1 21 GLY QA . . 4.790 4.180 4.048 4.261 . 0 0 "[ . 1 . 2]" 1
153 1 20 MET QG 1 21 GLY H . . 4.790 4.422 4.169 4.827 0.037 7 0 "[ . 1 . 2]" 1
154 1 21 GLY H 1 22 GLY H . . 4.060 2.432 2.110 2.635 . 0 0 "[ . 1 . 2]" 1
155 1 22 GLY H 1 23 LYS H . . 4.720 3.855 2.050 4.564 . 0 0 "[ . 1 . 2]" 1
156 1 22 GLY QA 1 23 LYS HA . . 4.650 3.951 3.876 4.062 . 0 0 "[ . 1 . 2]" 1
157 1 22 GLY QA 1 23 LYS QB . . 4.350 4.073 3.632 4.425 0.075 12 0 "[ . 1 . 2]" 1
158 1 22 GLY HA2 1 23 LYS QB . . 5.200 4.595 3.908 5.453 0.253 3 0 "[ . 1 . 2]" 1
159 1 22 GLY HA3 1 23 LYS QB . . 5.200 4.666 4.263 5.243 0.043 10 0 "[ . 1 . 2]" 1
160 1 23 LYS H 1 23 LYS QB . . 3.820 2.680 2.225 3.392 . 0 0 "[ . 1 . 2]" 1
161 1 23 LYS H 1 23 LYS QD . . 4.740 3.704 2.147 4.766 0.026 19 0 "[ . 1 . 2]" 1
162 1 23 LYS H 1 23 LYS QE . . 5.500 4.245 2.472 5.697 0.197 2 0 "[ . 1 . 2]" 1
163 1 23 LYS H 1 23 LYS QG . . 4.570 3.124 2.048 4.168 . 0 0 "[ . 1 . 2]" 1
164 1 23 LYS HA 1 23 LYS QE . . 4.440 3.922 1.846 4.547 0.107 10 0 "[ . 1 . 2]" 1
165 1 23 LYS QD 1 24 PRO QD . . 4.770 3.834 2.045 4.842 0.072 9 0 "[ . 1 . 2]" 1
166 1 24 PRO QG 1 25 LEU H . . 4.730 4.167 2.682 4.759 0.029 20 0 "[ . 1 . 2]" 1
167 1 25 LEU H 1 25 LEU QD . . 4.920 2.454 1.676 3.127 . 0 0 "[ . 1 . 2]" 1
168 1 25 LEU H 1 26 SER H . . 4.490 2.651 2.447 2.866 . 0 0 "[ . 1 . 2]" 1
169 1 25 LEU H 1 26 SER HA . . 5.470 5.209 4.996 5.379 . 0 0 "[ . 1 . 2]" 1
170 1 25 LEU HA 1 28 PHE QD . . 4.760 2.338 1.887 3.556 . 0 0 "[ . 1 . 2]" 1
171 1 25 LEU QB 1 26 SER H . . 4.020 2.880 2.531 3.637 . 0 0 "[ . 1 . 2]" 1
172 1 25 LEU QB 1 27 THR H . . 4.950 4.718 4.497 5.007 0.057 17 0 "[ . 1 . 2]" 1
173 1 25 LEU QB 1 29 TYR H . . 5.180 4.411 3.675 5.111 . 0 0 "[ . 1 . 2]" 1
174 1 25 LEU HB2 1 26 SER H . . 4.590 2.988 2.589 3.985 . 0 0 "[ . 1 . 2]" 1
175 1 25 LEU HB3 1 26 SER H . . 4.590 3.843 3.536 4.263 . 0 0 "[ . 1 . 2]" 1
176 1 25 LEU QD 1 26 SER H . . 5.440 3.772 2.081 4.330 . 0 0 "[ . 1 . 2]" 1
177 1 26 SER H 1 27 THR H . . 4.480 2.730 2.487 2.862 . 0 0 "[ . 1 . 2]" 1
178 1 26 SER HA 1 29 TYR QB . . 5.090 3.648 2.225 5.130 0.040 2 0 "[ . 1 . 2]" 1
179 1 26 SER QB 1 27 THR H . . 4.110 2.800 2.595 3.456 . 0 0 "[ . 1 . 2]" 1
180 1 27 THR H 1 27 THR MG . . 4.380 3.650 2.413 3.766 . 0 0 "[ . 1 . 2]" 1
181 1 27 THR H 1 28 PHE H . . 3.100 2.589 2.411 2.926 . 0 0 "[ . 1 . 2]" 1
182 1 27 THR HA 1 27 THR MG . . 3.370 2.355 2.308 2.392 . 0 0 "[ . 1 . 2]" 1
183 1 27 THR HA 1 30 THR H . . 4.970 4.120 3.502 4.851 . 0 0 "[ . 1 . 2]" 1
184 1 27 THR MG 1 28 PHE H . . 5.050 3.580 3.239 3.975 . 0 0 "[ . 1 . 2]" 1
185 1 27 THR MG 1 28 PHE HA . . 5.380 3.676 3.437 5.368 . 0 0 "[ . 1 . 2]" 1
186 1 28 PHE H 1 28 PHE QB . . 3.480 2.413 2.345 2.499 . 0 0 "[ . 1 . 2]" 1
187 1 28 PHE H 1 28 PHE QD . . 4.070 2.325 1.998 2.678 . 0 0 "[ . 1 . 2]" 1
188 1 28 PHE H 1 28 PHE QE . . 4.160 4.221 4.165 4.294 0.134 6 0 "[ . 1 . 2]" 1
189 1 28 PHE H 1 29 TYR H . . 3.110 2.767 2.528 3.027 . 0 0 "[ . 1 . 2]" 1
190 1 28 PHE HA 1 28 PHE QD . . 3.700 2.786 2.487 3.030 . 0 0 "[ . 1 . 2]" 1
191 1 28 PHE HA 1 28 PHE QE . . 4.440 4.476 4.382 4.545 0.105 10 0 "[ . 1 . 2]" 1
192 1 28 PHE HA 1 30 THR H . . 5.240 4.252 3.903 4.608 . 0 0 "[ . 1 . 2]" 1
193 1 28 PHE QD 1 31 GLN QG . . 4.730 4.030 3.175 4.762 0.032 6 0 "[ . 1 . 2]" 1
194 1 29 TYR H 1 29 TYR HB2 . . 3.940 3.088 2.452 3.784 . 0 0 "[ . 1 . 2]" 1
195 1 29 TYR H 1 29 TYR QB . . 3.450 2.532 1.849 2.869 . 0 0 "[ . 1 . 2]" 1
196 1 29 TYR H 1 29 TYR HB3 . . 3.940 3.143 1.878 3.698 . 0 0 "[ . 1 . 2]" 1
197 1 29 TYR H 1 29 TYR QD . . 4.240 2.931 2.207 3.532 . 0 0 "[ . 1 . 2]" 1
198 1 29 TYR H 1 29 TYR QE . . 5.090 4.608 4.228 5.529 0.439 7 0 "[ . 1 . 2]" 1
199 1 29 TYR H 1 30 THR H . . 3.700 2.755 2.455 2.911 . 0 0 "[ . 1 . 2]" 1
200 1 29 TYR H 1 32 LEU QB . . 5.180 4.674 4.156 5.181 0.001 16 0 "[ . 1 . 2]" 1
201 1 29 TYR HA 1 32 LEU QB . . 4.010 2.424 1.950 3.594 . 0 0 "[ . 1 . 2]" 1
202 1 29 TYR QB 1 30 THR H . . 3.920 3.163 2.552 3.743 . 0 0 "[ . 1 . 2]" 1
203 1 29 TYR HB2 1 30 THR H . . 4.510 3.442 2.616 4.242 . 0 0 "[ . 1 . 2]" 1
204 1 29 TYR HB3 1 30 THR H . . 4.510 3.883 3.041 4.394 . 0 0 "[ . 1 . 2]" 1
205 1 30 THR H 1 30 THR MG . . 4.160 3.289 2.026 3.791 . 0 0 "[ . 1 . 2]" 1
206 1 30 THR H 1 31 GLN H . . 4.020 2.735 2.490 2.904 . 0 0 "[ . 1 . 2]" 1
207 1 30 THR HA 1 30 THR MG . . 3.520 2.486 2.254 3.243 . 0 0 "[ . 1 . 2]" 1
208 1 30 THR HB 1 31 GLN H . . 4.890 2.928 2.373 4.219 . 0 0 "[ . 1 . 2]" 1
209 1 30 THR MG 1 31 GLN H . . 4.810 3.396 2.068 4.165 . 0 0 "[ . 1 . 2]" 1
210 1 30 THR MG 1 31 GLN QG . . 5.500 4.593 2.476 5.395 . 0 0 "[ . 1 . 2]" 1
211 1 31 GLN H 1 31 GLN HB2 . . 4.110 3.247 2.395 3.687 . 0 0 "[ . 1 . 2]" 1
212 1 31 GLN H 1 31 GLN QB . . 3.540 2.535 2.198 2.684 . 0 0 "[ . 1 . 2]" 1
213 1 31 GLN H 1 31 GLN HB3 . . 4.110 2.937 2.332 3.646 . 0 0 "[ . 1 . 2]" 1
214 1 31 GLN H 1 31 GLN QG . . 3.930 2.322 1.975 3.910 . 0 0 "[ . 1 . 2]" 1
215 1 31 GLN H 1 32 LEU H . . 2.800 2.524 2.418 2.741 . 0 0 "[ . 1 . 2]" 1
216 1 31 GLN H 1 32 LEU QB . . 4.810 4.342 4.091 4.737 . 0 0 "[ . 1 . 2]" 1
217 1 31 GLN HA 1 31 GLN QG . . 3.870 3.033 2.406 3.378 . 0 0 "[ . 1 . 2]" 1
218 1 31 GLN HA 1 33 VAL H . . 4.570 4.198 3.726 4.559 . 0 0 "[ . 1 . 2]" 1
219 1 31 GLN QB 1 32 LEU H . . 4.140 3.237 2.475 3.646 . 0 0 "[ . 1 . 2]" 1
220 1 31 GLN HB2 1 32 LEU H . . 4.700 3.572 2.524 4.053 . 0 0 "[ . 1 . 2]" 1
221 1 31 GLN HB3 1 32 LEU H . . 4.700 3.879 2.587 4.165 . 0 0 "[ . 1 . 2]" 1
222 1 31 GLN QG 1 32 LEU H . . 5.260 2.989 2.276 4.606 . 0 0 "[ . 1 . 2]" 1
223 1 31 GLN QG 1 32 LEU QD . . 4.630 3.942 1.848 4.692 0.062 19 0 "[ . 1 . 2]" 1
224 1 31 GLN QG 1 34 LEU HG . . 4.820 4.722 4.196 4.905 0.085 17 0 "[ . 1 . 2]" 1
225 1 32 LEU H 1 32 LEU QB . . 3.590 2.276 2.148 2.533 . 0 0 "[ . 1 . 2]" 1
226 1 32 LEU H 1 32 LEU QD . . 4.180 3.033 2.104 3.742 . 0 0 "[ . 1 . 2]" 1
227 1 32 LEU H 1 32 LEU HG . . 4.500 4.058 2.158 4.549 0.049 19 0 "[ . 1 . 2]" 1
228 1 32 LEU H 1 33 VAL H . . 3.980 2.722 2.433 2.872 . 0 0 "[ . 1 . 2]" 1
229 1 32 LEU H 1 35 MET ME . . 5.230 4.939 3.913 5.320 0.090 19 0 "[ . 1 . 2]" 1
230 1 32 LEU HA 1 32 LEU QD . . 3.650 2.684 1.983 3.199 . 0 0 "[ . 1 . 2]" 1
231 1 32 LEU HA 1 32 LEU HG . . 3.230 2.782 2.556 3.242 0.012 5 0 "[ . 1 . 2]" 1
232 1 32 LEU HA 1 34 LEU H . . 4.710 4.066 3.814 4.337 . 0 0 "[ . 1 . 2]" 1
233 1 32 LEU HA 1 34 LEU HG . . 4.970 4.788 4.055 5.097 0.127 19 0 "[ . 1 . 2]" 1
234 1 32 LEU HA 1 35 MET H . . 4.960 3.381 3.049 3.741 . 0 0 "[ . 1 . 2]" 1
235 1 32 LEU HA 1 35 MET ME . . 4.940 4.202 2.373 5.165 0.225 14 0 "[ . 1 . 2]" 1
236 1 32 LEU QB 1 33 VAL H . . 3.910 2.745 2.414 3.146 . 0 0 "[ . 1 . 2]" 1
237 1 32 LEU HB2 1 33 VAL H . . 4.530 3.440 2.603 4.298 . 0 0 "[ . 1 . 2]" 1
238 1 32 LEU HB3 1 33 VAL H . . 4.530 3.171 2.446 3.927 . 0 0 "[ . 1 . 2]" 1
239 1 32 LEU QD 1 33 VAL H . . 5.440 3.671 3.018 4.373 . 0 0 "[ . 1 . 2]" 1
240 1 33 VAL H 1 33 VAL HB . . 4.120 3.054 2.480 3.707 . 0 0 "[ . 1 . 2]" 1
241 1 33 VAL H 1 33 VAL QG . . 3.580 2.031 1.924 2.192 . 0 0 "[ . 1 . 2]" 1
242 1 33 VAL H 1 34 LEU H . . 3.950 2.699 2.454 2.793 . 0 0 "[ . 1 . 2]" 1
243 1 33 VAL HA 1 34 LEU HA . . 5.230 4.544 4.457 4.636 . 0 0 "[ . 1 . 2]" 1
244 1 33 VAL HA 1 35 MET H . . 5.430 4.070 3.555 4.695 . 0 0 "[ . 1 . 2]" 1
245 1 33 VAL HB 1 34 LEU H . . 5.090 3.403 2.661 4.093 . 0 0 "[ . 1 . 2]" 1
246 1 33 VAL HB 1 34 LEU HA . . 5.240 4.485 4.267 4.745 . 0 0 "[ . 1 . 2]" 1
247 1 33 VAL QG 1 34 LEU H . . 4.470 2.983 2.481 3.410 . 0 0 "[ . 1 . 2]" 1
248 1 33 VAL QG 1 34 LEU HA . . 4.470 3.462 3.248 3.646 . 0 0 "[ . 1 . 2]" 1
249 1 33 VAL QG 1 34 LEU QB . . 3.730 3.413 2.766 3.759 0.029 6 0 "[ . 1 . 2]" 1
250 1 33 VAL QG 1 34 LEU HG . . 4.450 4.158 3.154 4.529 0.079 6 0 "[ . 1 . 2]" 1
251 1 34 LEU H 1 34 LEU HB2 . . 4.160 3.661 3.607 3.740 . 0 0 "[ . 1 . 2]" 1
252 1 34 LEU H 1 34 LEU QB . . 3.510 2.807 2.637 2.987 . 0 0 "[ . 1 . 2]" 1
253 1 34 LEU H 1 34 LEU HB3 . . 4.160 2.917 2.709 3.149 . 0 0 "[ . 1 . 2]" 1
254 1 34 LEU H 1 34 LEU MD1 . . 4.060 3.395 3.191 3.977 . 0 0 "[ . 1 . 2]" 1
255 1 34 LEU H 1 34 LEU MD2 . . 3.880 3.064 1.821 3.457 . 0 0 "[ . 1 . 2]" 1
256 1 34 LEU H 1 34 LEU HG . . 5.250 2.082 1.877 2.595 . 0 0 "[ . 1 . 2]" 1
257 1 34 LEU H 1 35 MET H . . 4.150 2.268 2.031 2.479 . 0 0 "[ . 1 . 2]" 1
258 1 34 LEU HA 1 34 LEU MD1 . . 4.780 3.716 3.629 4.096 . 0 0 "[ . 1 . 2]" 1
259 1 34 LEU HA 1 34 LEU MD2 . . 3.630 3.847 3.543 3.924 0.294 10 0 "[ . 1 . 2]" 1
260 1 34 LEU HA 1 34 LEU HG . . 4.220 3.683 3.611 3.801 . 0 0 "[ . 1 . 2]" 1
261 1 34 LEU QB 1 34 LEU MD2 . . 2.920 1.968 1.923 2.142 . 0 0 "[ . 1 . 2]" 1
262 1 34 LEU QB 1 35 MET H . . 4.170 3.748 3.595 3.815 . 0 0 "[ . 1 . 2]" 1
263 1 34 LEU QB 1 35 MET HA . . 4.880 4.381 4.157 4.621 . 0 0 "[ . 1 . 2]" 1
264 1 34 LEU HB2 1 34 LEU MD1 . . 3.080 2.219 2.145 2.252 . 0 0 "[ . 1 . 2]" 1
265 1 34 LEU HB2 1 35 MET H . . 4.840 4.125 3.933 4.219 . 0 0 "[ . 1 . 2]" 1
266 1 34 LEU HB3 1 34 LEU MD1 . . 3.080 3.066 2.575 3.163 0.083 13 0 "[ . 1 . 2]" 1
267 1 34 LEU HB3 1 35 MET H . . 4.840 4.304 4.138 4.405 . 0 0 "[ . 1 . 2]" 1
268 1 34 LEU MD1 1 35 MET H . . 4.690 3.099 2.505 4.452 . 0 0 "[ . 1 . 2]" 1
269 1 34 LEU MD1 1 35 MET HA . . 4.780 2.984 2.371 4.505 . 0 0 "[ . 1 . 2]" 1
270 1 34 LEU MD1 1 35 MET HB2 . . 5.460 3.353 1.943 5.254 . 0 0 "[ . 1 . 2]" 1
271 1 34 LEU MD1 1 35 MET QB . . 4.790 3.173 1.929 4.783 . 0 0 "[ . 1 . 2]" 1
272 1 34 LEU MD1 1 35 MET HB3 . . 5.460 4.224 3.267 5.569 0.109 8 0 "[ . 1 . 2]" 1
273 1 34 LEU MD1 1 35 MET ME . . 3.970 2.441 1.855 3.389 . 0 0 "[ . 1 . 2]" 1
274 1 34 LEU MD2 1 35 MET H . . 4.590 4.365 3.253 4.665 0.075 9 0 "[ . 1 . 2]" 1
275 1 34 LEU MD2 1 35 MET ME . . 3.950 3.981 3.514 4.101 0.151 10 0 "[ . 1 . 2]" 1
276 1 34 LEU HG 1 35 MET QB . . 5.340 3.979 2.647 5.265 . 0 0 "[ . 1 . 2]" 1
277 1 35 MET H 1 35 MET ME . . 4.700 4.068 3.302 4.644 . 0 0 "[ . 1 . 2]" 1
278 1 35 MET H 1 35 MET QG . . 4.120 3.399 2.350 4.069 . 0 0 "[ . 1 . 2]" 1
279 1 35 MET H 1 38 VAL QG . . 5.340 3.661 3.089 4.394 . 0 0 "[ . 1 . 2]" 1
280 1 35 MET HA 1 35 MET ME . . 5.440 3.615 1.818 4.654 . 0 0 "[ . 1 . 2]" 1
281 1 36 PRO QB 1 39 LEU QD . . 4.340 3.492 2.915 3.976 . 0 0 "[ . 1 . 2]" 1
282 1 36 PRO QD 1 39 LEU QD . . 4.610 4.226 3.124 4.702 0.092 20 0 "[ . 1 . 2]" 1
283 1 37 GLN H 1 37 GLN HG2 . . 5.180 2.949 2.065 4.477 . 0 0 "[ . 1 . 2]" 1
284 1 37 GLN H 1 37 GLN QG . . 4.310 2.573 1.878 4.006 . 0 0 "[ . 1 . 2]" 1
285 1 37 GLN H 1 37 GLN HG3 . . 5.180 3.370 1.895 4.517 . 0 0 "[ . 1 . 2]" 1
286 1 37 GLN H 1 38 VAL H . . 4.530 2.788 2.533 2.923 . 0 0 "[ . 1 . 2]" 1
287 1 37 GLN HA 1 37 GLN HG2 . . 4.130 3.345 2.549 3.789 . 0 0 "[ . 1 . 2]" 1
288 1 37 GLN HA 1 37 GLN HG3 . . 4.130 3.355 2.508 3.832 . 0 0 "[ . 1 . 2]" 1
289 1 37 GLN HA 1 39 LEU H . . 5.160 4.251 3.823 4.503 . 0 0 "[ . 1 . 2]" 1
290 1 37 GLN HA 1 40 HIS QB . . 4.600 3.323 2.527 3.933 . 0 0 "[ . 1 . 2]" 1
291 1 37 GLN QB 1 38 VAL H . . 4.170 3.030 2.352 3.681 . 0 0 "[ . 1 . 2]" 1
292 1 37 GLN QG 1 38 VAL H . . 3.880 3.033 2.046 3.946 0.066 20 0 "[ . 1 . 2]" 1
293 1 37 GLN QG 1 38 VAL QG . . 5.130 3.461 2.033 4.914 . 0 0 "[ . 1 . 2]" 1
294 1 38 VAL H 1 38 VAL MG1 . . 3.930 2.803 2.051 3.818 . 0 0 "[ . 1 . 2]" 1
295 1 38 VAL H 1 38 VAL MG2 . . 3.930 2.723 1.905 3.833 . 0 0 "[ . 1 . 2]" 1
296 1 38 VAL H 1 39 LEU H . . 3.980 2.506 2.358 2.751 . 0 0 "[ . 1 . 2]" 1
297 1 38 VAL HA 1 41 TYR H . . 4.810 3.207 2.868 3.800 . 0 0 "[ . 1 . 2]" 1
298 1 38 VAL HB 1 39 LEU H . . 4.540 3.580 2.644 4.094 . 0 0 "[ . 1 . 2]" 1
299 1 38 VAL QG 1 39 LEU H . . 3.820 2.725 2.299 3.384 . 0 0 "[ . 1 . 2]" 1
300 1 38 VAL MG1 1 39 LEU H . . 4.550 3.329 2.316 4.225 . 0 0 "[ . 1 . 2]" 1
301 1 38 VAL MG2 1 39 LEU H . . 4.550 3.448 2.366 4.031 . 0 0 "[ . 1 . 2]" 1
302 1 39 LEU H 1 39 LEU HB2 . . 3.730 2.532 2.338 3.660 . 0 0 "[ . 1 . 2]" 1
303 1 39 LEU H 1 39 LEU HB3 . . 3.820 3.194 2.463 3.661 . 0 0 "[ . 1 . 2]" 1
304 1 39 LEU H 1 39 LEU QD . . 3.800 2.962 1.898 3.741 . 0 0 "[ . 1 . 2]" 1
305 1 39 LEU H 1 40 HIS H . . 3.500 2.645 2.439 2.767 . 0 0 "[ . 1 . 2]" 1
306 1 39 LEU H 1 40 HIS QB . . 5.080 4.612 4.212 4.849 . 0 0 "[ . 1 . 2]" 1
307 1 39 LEU HA 1 39 LEU QD . . 3.070 2.470 1.984 3.306 0.236 4 0 "[ . 1 . 2]" 1
308 1 39 LEU HA 1 41 TYR QB . . 5.030 5.027 4.805 5.148 0.118 8 0 "[ . 1 . 2]" 1
309 1 39 LEU HB2 1 39 LEU QD . . 2.940 2.213 2.084 2.299 . 0 0 "[ . 1 . 2]" 1
310 1 39 LEU HB3 1 39 LEU QD . . 2.900 2.195 2.106 2.397 . 0 0 "[ . 1 . 2]" 1
311 1 40 HIS H 1 41 TYR H . . 3.580 2.637 2.443 2.867 . 0 0 "[ . 1 . 2]" 1
312 1 40 HIS QB 1 41 TYR H . . 3.920 2.701 2.356 3.170 . 0 0 "[ . 1 . 2]" 1
313 1 41 TYR H 1 41 TYR QD . . 4.180 2.600 2.275 3.178 . 0 0 "[ . 1 . 2]" 1
314 1 41 TYR H 1 41 TYR QE . . 4.790 4.537 4.284 5.098 0.308 8 0 "[ . 1 . 2]" 1
315 1 41 TYR H 1 42 ALA H . . 4.080 2.462 2.246 2.685 . 0 0 "[ . 1 . 2]" 1
316 1 41 TYR H 1 42 ALA HA . . 5.180 5.107 4.921 5.249 0.069 4 0 "[ . 1 . 2]" 1
317 1 41 TYR HA 1 44 TYR HA . . 5.220 5.142 4.834 5.276 0.056 14 0 "[ . 1 . 2]" 1
318 1 41 TYR HA 1 44 TYR HB2 . . 5.240 2.555 2.239 2.855 . 0 0 "[ . 1 . 2]" 1
319 1 41 TYR QD 1 44 TYR HB2 . . 4.800 3.877 3.560 4.058 . 0 0 "[ . 1 . 2]" 1
320 1 41 TYR QD 1 44 TYR HB3 . . 4.830 4.783 4.483 4.959 0.129 11 0 "[ . 1 . 2]" 1
321 1 42 ALA H 1 43 GLN H . . 4.150 2.619 2.512 2.752 . 0 0 "[ . 1 . 2]" 1
322 1 42 ALA H 1 43 GLN QG . . 5.080 4.181 3.947 4.373 . 0 0 "[ . 1 . 2]" 1
323 1 42 ALA H 1 44 TYR HB2 . . 4.910 4.977 4.918 5.009 0.099 12 0 "[ . 1 . 2]" 1
324 1 42 ALA HA 1 45 VAL H . . 5.020 3.230 2.898 3.574 . 0 0 "[ . 1 . 2]" 1
325 1 42 ALA HA 1 45 VAL HB . . 4.520 3.035 2.118 4.312 . 0 0 "[ . 1 . 2]" 1
326 1 42 ALA HA 1 45 VAL MG1 . . 5.130 2.936 1.802 4.064 . 0 0 "[ . 1 . 2]" 1
327 1 42 ALA HA 1 45 VAL QG . . 3.990 2.210 1.800 2.999 . 0 0 "[ . 1 . 2]" 1
328 1 42 ALA HA 1 45 VAL MG2 . . 5.130 3.413 2.282 4.757 . 0 0 "[ . 1 . 2]" 1
329 1 42 ALA HA 1 46 LEU H . . 4.030 4.037 3.788 4.122 0.092 4 0 "[ . 1 . 2]" 1
330 1 42 ALA MB 1 43 GLN H . . 4.070 2.633 2.497 2.734 . 0 0 "[ . 1 . 2]" 1
331 1 42 ALA MB 1 43 GLN QG . . 5.080 3.375 3.004 4.167 . 0 0 "[ . 1 . 2]" 1
332 1 42 ALA MB 1 44 TYR H . . 4.910 4.481 4.368 4.654 . 0 0 "[ . 1 . 2]" 1
333 1 43 GLN H 1 43 GLN HB2 . . 3.960 2.554 2.439 3.625 . 0 0 "[ . 1 . 2]" 1
334 1 43 GLN H 1 43 GLN QB . . 3.430 2.459 2.401 2.560 . 0 0 "[ . 1 . 2]" 1
335 1 43 GLN H 1 43 GLN HB3 . . 3.960 3.550 2.617 3.629 . 0 0 "[ . 1 . 2]" 1
336 1 43 GLN H 1 43 GLN HG2 . . 4.160 3.029 2.070 3.526 . 0 0 "[ . 1 . 2]" 1
337 1 43 GLN H 1 43 GLN HG3 . . 4.160 2.705 2.111 3.807 . 0 0 "[ . 1 . 2]" 1
338 1 43 GLN H 1 44 TYR H . . 4.150 2.574 2.398 2.729 . 0 0 "[ . 1 . 2]" 1
339 1 43 GLN H 1 44 TYR HB2 . . 5.260 4.580 4.291 4.789 . 0 0 "[ . 1 . 2]" 1
340 1 43 GLN QB 1 43 GLN QG . . 2.300 2.058 1.989 2.089 . 0 0 "[ . 1 . 2]" 1
341 1 43 GLN QB 1 44 TYR H . . 4.020 2.638 2.271 3.595 . 0 0 "[ . 1 . 2]" 1
342 1 43 GLN HB2 1 44 TYR H . . 4.580 2.710 2.307 3.974 . 0 0 "[ . 1 . 2]" 1
343 1 43 GLN HB3 1 44 TYR H . . 4.580 3.708 3.391 4.102 . 0 0 "[ . 1 . 2]" 1
344 1 43 GLN QG 1 44 TYR H . . 5.330 3.944 2.422 4.171 . 0 0 "[ . 1 . 2]" 1
345 1 44 TYR H 1 44 TYR HB2 . . 4.070 2.299 2.179 2.477 . 0 0 "[ . 1 . 2]" 1
346 1 44 TYR H 1 44 TYR QD . . 4.240 2.795 1.980 3.307 . 0 0 "[ . 1 . 2]" 1
347 1 44 TYR H 1 45 VAL H . . 3.900 2.596 2.457 2.724 . 0 0 "[ . 1 . 2]" 1
348 1 44 TYR H 1 45 VAL HB . . 4.910 4.877 4.704 5.004 0.094 9 0 "[ . 1 . 2]" 1
349 1 44 TYR H 1 45 VAL QG . . 4.810 3.909 3.707 4.095 . 0 0 "[ . 1 . 2]" 1
350 1 44 TYR HA 1 44 TYR QD . . 3.680 2.558 1.957 2.912 . 0 0 "[ . 1 . 2]" 1
351 1 44 TYR HA 1 44 TYR QE . . 4.700 4.456 4.299 4.607 . 0 0 "[ . 1 . 2]" 1
352 1 44 TYR HB2 1 45 VAL H . . 4.360 2.656 2.446 2.878 . 0 0 "[ . 1 . 2]" 1
353 1 44 TYR HB2 1 47 LEU QD . . 5.250 4.932 4.388 5.332 0.082 6 0 "[ . 1 . 2]" 1
354 1 44 TYR HB3 1 45 VAL H . . 5.180 3.489 3.258 3.605 . 0 0 "[ . 1 . 2]" 1
355 1 44 TYR QD 1 47 LEU QD . . 3.750 3.462 2.662 3.798 0.048 8 0 "[ . 1 . 2]" 1
356 1 45 VAL H 1 45 VAL HB . . 4.030 2.543 2.409 2.614 . 0 0 "[ . 1 . 2]" 1
357 1 45 VAL H 1 45 VAL MG1 . . 3.960 3.070 2.067 3.815 . 0 0 "[ . 1 . 2]" 1
358 1 45 VAL H 1 45 VAL QG . . 3.420 2.125 2.041 2.354 . 0 0 "[ . 1 . 2]" 1
359 1 45 VAL H 1 45 VAL MG2 . . 3.960 2.861 2.049 3.802 . 0 0 "[ . 1 . 2]" 1
360 1 45 VAL H 1 46 LEU H . . 3.410 2.644 2.526 2.758 . 0 0 "[ . 1 . 2]" 1
361 1 45 VAL HA 1 48 GLY H . . 3.770 3.301 2.949 3.582 . 0 0 "[ . 1 . 2]" 1
362 1 45 VAL HB 1 46 LEU H . . 4.240 3.367 2.608 4.106 . 0 0 "[ . 1 . 2]" 1
363 1 45 VAL QG 1 46 LEU H . . 4.490 2.909 2.329 3.413 . 0 0 "[ . 1 . 2]" 1
364 1 46 LEU H 1 46 LEU QB . . 3.650 2.141 2.103 2.173 . 0 0 "[ . 1 . 2]" 1
365 1 46 LEU H 1 46 LEU HG . . 4.160 4.274 4.240 4.292 0.132 8 0 "[ . 1 . 2]" 1
366 1 46 LEU H 1 47 LEU H . . 4.100 2.742 2.452 2.892 . 0 0 "[ . 1 . 2]" 1
367 1 46 LEU H 1 47 LEU QD . . 4.000 3.866 3.502 4.122 0.122 18 0 "[ . 1 . 2]" 1
368 1 46 LEU HA 1 46 LEU HG . . 3.630 3.125 3.065 3.216 . 0 0 "[ . 1 . 2]" 1
369 1 46 LEU QB 1 47 LEU H . . 4.110 2.598 2.383 2.876 . 0 0 "[ . 1 . 2]" 1
370 1 46 LEU HG 1 47 LEU H . . 4.960 3.603 3.355 3.840 . 0 0 "[ . 1 . 2]" 1
371 1 46 LEU HG 1 47 LEU HA . . 3.610 3.609 3.516 3.656 0.046 5 0 "[ . 1 . 2]" 1
372 1 47 LEU H 1 47 LEU QB . . 3.520 2.414 2.328 2.586 . 0 0 "[ . 1 . 2]" 1
373 1 47 LEU H 1 47 LEU QD . . 4.160 2.221 1.940 2.697 . 0 0 "[ . 1 . 2]" 1
374 1 47 LEU H 1 48 GLY H . . 3.950 2.608 2.419 2.792 . 0 0 "[ . 1 . 2]" 1
375 1 47 LEU HA 1 47 LEU QD . . 3.170 2.521 1.973 2.837 . 0 0 "[ . 1 . 2]" 1
376 1 47 LEU QB 1 48 GLY H . . 4.410 2.696 2.290 2.930 . 0 0 "[ . 1 . 2]" 1
377 1 47 LEU QB 1 48 GLY HA2 . . 5.290 3.934 3.818 4.033 . 0 0 "[ . 1 . 2]" 1
378 1 47 LEU QB 1 48 GLY HA3 . . 5.340 4.361 3.972 4.604 . 0 0 "[ . 1 . 2]" 1
379 1 47 LEU QD 1 48 GLY H . . 5.240 3.874 3.715 4.048 . 0 0 "[ . 1 . 2]" 1
380 1 48 GLY HA2 1 50 GLY H . . 4.580 4.321 3.992 4.542 . 0 0 "[ . 1 . 2]" 1
381 1 49 LEU HA 1 52 LEU HB2 . . 3.610 3.262 2.728 3.621 0.011 3 0 "[ . 1 . 2]" 1
382 1 49 LEU QB 1 50 GLY H . . 4.210 2.602 2.464 2.833 . 0 0 "[ . 1 . 2]" 1
383 1 50 GLY H 1 51 GLY H . . 4.100 2.665 2.491 2.751 . 0 0 "[ . 1 . 2]" 1
384 1 51 GLY H 1 52 LEU H . . 4.390 2.599 2.415 2.744 . 0 0 "[ . 1 . 2]" 1
385 1 51 GLY H 1 52 LEU HB3 . . 5.500 4.745 4.515 4.934 . 0 0 "[ . 1 . 2]" 1
386 1 51 GLY QA 1 55 LEU QD . . 4.700 3.584 2.850 4.291 . 0 0 "[ . 1 . 2]" 1
387 1 52 LEU H 1 52 LEU HB2 . . 3.610 2.458 2.352 2.571 . 0 0 "[ . 1 . 2]" 1
388 1 52 LEU H 1 52 LEU QD . . 4.620 3.718 3.677 3.753 . 0 0 "[ . 1 . 2]" 1
389 1 52 LEU HA 1 52 LEU QD . . 3.280 2.431 2.091 3.060 . 0 0 "[ . 1 . 2]" 1
390 1 52 LEU HB3 1 52 LEU QD . . 2.960 2.227 2.124 2.357 . 0 0 "[ . 1 . 2]" 1
391 1 52 LEU HB3 1 53 LEU H . . 4.180 2.611 2.377 2.858 . 0 0 "[ . 1 . 2]" 1
392 1 52 LEU QD 1 53 LEU H . . 4.260 3.640 3.108 4.080 . 0 0 "[ . 1 . 2]" 1
393 1 53 LEU H 1 54 LEU H . . 4.190 2.675 2.477 2.769 . 0 0 "[ . 1 . 2]" 1
394 1 53 LEU HA 1 56 VAL MG2 . . 3.330 2.282 1.980 3.004 . 0 0 "[ . 1 . 2]" 1
395 1 54 LEU H 1 54 LEU HB2 . . 3.800 2.523 2.350 2.652 . 0 0 "[ . 1 . 2]" 1
396 1 54 LEU H 1 54 LEU QB . . 3.140 2.295 2.116 2.480 . 0 0 "[ . 1 . 2]" 1
397 1 54 LEU H 1 54 LEU HB3 . . 3.800 2.853 2.374 3.646 . 0 0 "[ . 1 . 2]" 1
398 1 54 LEU H 1 55 LEU QD . . 3.930 3.631 3.245 4.073 0.143 5 0 "[ . 1 . 2]" 1
399 1 55 LEU HA 1 55 LEU MD1 . . 4.260 2.862 1.994 3.858 . 0 0 "[ . 1 . 2]" 1
400 1 55 LEU HA 1 55 LEU MD2 . . 4.260 3.311 2.084 3.835 . 0 0 "[ . 1 . 2]" 1
401 1 55 LEU HA 1 55 LEU HG . . 4.040 2.894 2.467 3.745 . 0 0 "[ . 1 . 2]" 1
402 1 56 VAL H 1 56 VAL MG1 . . 3.780 3.801 3.772 3.820 0.040 14 0 "[ . 1 . 2]" 1
403 1 56 VAL H 1 56 VAL MG2 . . 4.300 2.053 2.001 2.135 . 0 0 "[ . 1 . 2]" 1
404 1 56 VAL H 1 57 PRO HD2 . . 4.270 2.946 2.414 3.165 . 0 0 "[ . 1 . 2]" 1
405 1 56 VAL H 1 57 PRO HD3 . . 5.300 3.060 2.805 3.702 . 0 0 "[ . 1 . 2]" 1
406 1 56 VAL HA 1 59 ILE MD . . 4.200 2.782 2.114 4.235 0.035 17 0 "[ . 1 . 2]" 1
407 1 56 VAL HB 1 57 PRO HD2 . . 4.700 3.284 2.608 3.492 . 0 0 "[ . 1 . 2]" 1
408 1 56 VAL HB 1 57 PRO HD3 . . 4.820 1.954 1.846 2.395 . 0 0 "[ . 1 . 2]" 1
409 1 56 VAL MG2 1 57 PRO HD2 . . 4.990 4.222 3.636 4.408 . 0 0 "[ . 1 . 2]" 1
410 1 56 VAL MG2 1 57 PRO HD3 . . 5.100 3.545 3.392 4.012 . 0 0 "[ . 1 . 2]" 1
411 1 57 PRO HD2 1 58 ILE HB . . 4.840 4.578 4.309 4.844 0.004 18 0 "[ . 1 . 2]" 1
412 1 57 PRO HD2 1 58 ILE QG . . 4.400 3.370 2.956 4.049 . 0 0 "[ . 1 . 2]" 1
413 1 58 ILE H 1 58 ILE HB . . 3.960 2.541 2.483 2.632 . 0 0 "[ . 1 . 2]" 1
414 1 58 ILE H 1 58 ILE MD . . 4.020 3.447 3.174 3.714 . 0 0 "[ . 1 . 2]" 1
415 1 58 ILE H 1 58 ILE HG12 . . 4.660 2.782 2.155 3.554 . 0 0 "[ . 1 . 2]" 1
416 1 58 ILE H 1 58 ILE QG . . 3.960 2.211 2.098 2.414 . 0 0 "[ . 1 . 2]" 1
417 1 58 ILE H 1 58 ILE HG13 . . 4.660 3.033 2.119 3.818 . 0 0 "[ . 1 . 2]" 1
418 1 58 ILE H 1 58 ILE MG . . 4.020 3.792 3.770 3.816 . 0 0 "[ . 1 . 2]" 1
419 1 58 ILE H 1 59 ILE H . . 4.220 2.505 2.318 2.691 . 0 0 "[ . 1 . 2]" 1
420 1 58 ILE H 1 60 CYS H . . 5.380 3.988 3.731 4.765 . 0 0 "[ . 1 . 2]" 1
421 1 58 ILE HA 1 58 ILE MD . . 4.590 2.873 2.050 3.873 . 0 0 "[ . 1 . 2]" 1
422 1 58 ILE HA 1 61 GLN QB . . 4.540 2.637 1.973 3.430 . 0 0 "[ . 1 . 2]" 1
423 1 58 ILE HA 1 61 GLN QG . . 4.780 3.165 2.047 4.546 . 0 0 "[ . 1 . 2]" 1
424 1 58 ILE HB 1 59 ILE H . . 4.570 2.763 2.511 3.435 . 0 0 "[ . 1 . 2]" 1
425 1 58 ILE MD 1 59 ILE H . . 5.500 4.663 4.521 4.833 . 0 0 "[ . 1 . 2]" 1
426 1 58 ILE HG12 1 58 ILE MG . . 3.370 2.849 2.360 3.218 . 0 0 "[ . 1 . 2]" 1
427 1 58 ILE HG13 1 58 ILE MG . . 3.370 2.735 2.310 3.220 . 0 0 "[ . 1 . 2]" 1
428 1 58 ILE MG 1 59 ILE H . . 4.210 3.573 3.381 4.024 . 0 0 "[ . 1 . 2]" 1
429 1 58 ILE MG 1 59 ILE HA . . 4.900 3.639 3.467 3.913 . 0 0 "[ . 1 . 2]" 1
430 1 58 ILE MG 1 61 GLN H . . 4.310 4.129 3.541 4.333 0.023 20 0 "[ . 1 . 2]" 1
431 1 58 ILE MG 1 61 GLN QB . . 4.390 3.099 2.223 4.492 0.102 16 0 "[ . 1 . 2]" 1
432 1 58 ILE MG 1 61 GLN HG2 . . 4.650 4.165 2.862 4.738 0.088 11 0 "[ . 1 . 2]" 1
433 1 58 ILE MG 1 61 GLN HG3 . . 4.650 4.077 3.065 4.717 0.067 5 0 "[ . 1 . 2]" 1
434 1 59 ILE H 1 59 ILE HB . . 3.890 2.578 2.514 2.645 . 0 0 "[ . 1 . 2]" 1
435 1 59 ILE H 1 59 ILE MD . . 4.130 3.491 3.046 3.680 . 0 0 "[ . 1 . 2]" 1
436 1 59 ILE H 1 59 ILE HG12 . . 4.430 3.051 2.093 3.459 . 0 0 "[ . 1 . 2]" 1
437 1 59 ILE H 1 59 ILE QG . . 3.730 2.102 2.021 2.207 . 0 0 "[ . 1 . 2]" 1
438 1 59 ILE H 1 59 ILE HG13 . . 4.430 2.500 2.040 3.655 . 0 0 "[ . 1 . 2]" 1
439 1 59 ILE H 1 60 CYS H . . 4.160 2.661 2.508 2.866 . 0 0 "[ . 1 . 2]" 1
440 1 59 ILE HA 1 62 LEU HB2 . . 5.320 2.895 2.380 3.708 . 0 0 "[ . 1 . 2]" 1
441 1 59 ILE HA 1 62 LEU QB . . 4.450 2.652 2.080 3.633 . 0 0 "[ . 1 . 2]" 1
442 1 59 ILE HA 1 62 LEU HB3 . . 5.320 3.571 2.179 5.201 . 0 0 "[ . 1 . 2]" 1
443 1 59 ILE HA 1 62 LEU QD . . 4.120 2.209 1.868 3.230 . 0 0 "[ . 1 . 2]" 1
444 1 59 ILE HB 1 60 CYS H . . 4.300 2.799 2.570 3.044 . 0 0 "[ . 1 . 2]" 1
445 1 59 ILE MD 1 59 ILE MG . . 2.430 1.962 1.923 2.063 . 0 0 "[ . 1 . 2]" 1
446 1 59 ILE QG 1 60 CYS H . . 5.300 4.049 3.920 4.180 . 0 0 "[ . 1 . 2]" 1
447 1 59 ILE MG 1 60 CYS H . . 4.570 3.580 3.360 3.769 . 0 0 "[ . 1 . 2]" 1
448 1 59 ILE MG 1 63 ARG QD . . 4.860 3.434 2.646 4.846 . 0 0 "[ . 1 . 2]" 1
449 1 60 CYS H 1 61 GLN H . . 4.250 2.495 2.326 2.650 . 0 0 "[ . 1 . 2]" 1
450 1 60 CYS H 1 61 GLN QB . . 4.420 4.374 4.022 4.496 0.076 18 0 "[ . 1 . 2]" 1
451 1 60 CYS HA 1 63 ARG QD . . 4.190 3.204 2.199 4.279 0.089 18 0 "[ . 1 . 2]" 1
452 1 61 GLN H 1 61 GLN QB . . 3.540 2.342 2.198 2.620 . 0 0 "[ . 1 . 2]" 1
453 1 61 GLN H 1 61 GLN HG2 . . 4.840 3.381 2.169 4.690 . 0 0 "[ . 1 . 2]" 1
454 1 61 GLN H 1 61 GLN QG . . 4.150 3.126 2.154 4.132 . 0 0 "[ . 1 . 2]" 1
455 1 61 GLN H 1 61 GLN HG3 . . 4.840 4.074 3.467 4.683 . 0 0 "[ . 1 . 2]" 1
456 1 61 GLN H 1 62 LEU H . . 3.540 2.236 2.023 2.599 . 0 0 "[ . 1 . 2]" 1
457 1 61 GLN H 1 62 LEU QB . . 4.330 3.819 3.288 4.374 0.044 9 0 "[ . 1 . 2]" 1
458 1 61 GLN H 1 62 LEU QD . . 4.160 4.219 3.212 4.520 0.360 13 0 "[ . 1 . 2]" 1
459 1 61 GLN HA 1 61 GLN HG2 . . 3.870 3.250 2.604 3.863 . 0 0 "[ . 1 . 2]" 1
460 1 61 GLN HA 1 61 GLN HG3 . . 3.870 3.542 2.603 3.853 . 0 0 "[ . 1 . 2]" 1
461 1 61 GLN QB 1 62 LEU H . . 4.460 2.641 2.319 3.509 . 0 0 "[ . 1 . 2]" 1
462 1 62 LEU H 1 62 LEU QB . . 3.430 2.108 1.850 2.496 . 0 0 "[ . 1 . 2]" 1
463 1 62 LEU H 1 62 LEU MD1 . . 4.420 3.253 2.107 3.782 . 0 0 "[ . 1 . 2]" 1
464 1 62 LEU H 1 62 LEU QD . . 3.690 2.987 2.097 3.384 . 0 0 "[ . 1 . 2]" 1
465 1 62 LEU H 1 62 LEU MD2 . . 4.420 3.772 3.111 4.037 . 0 0 "[ . 1 . 2]" 1
466 1 62 LEU H 1 62 LEU HG . . 3.960 3.582 2.120 4.115 0.155 3 0 "[ . 1 . 2]" 1
467 1 62 LEU H 1 63 ARG H . . 4.120 2.708 2.508 2.891 . 0 0 "[ . 1 . 2]" 1
468 1 62 LEU HA 1 62 LEU QD . . 3.630 2.597 1.937 3.054 . 0 0 "[ . 1 . 2]" 1
469 1 62 LEU HA 1 62 LEU HG . . 3.400 2.677 2.534 3.088 . 0 0 "[ . 1 . 2]" 1
470 1 62 LEU HA 1 64 SER QB . . 4.770 4.747 4.344 4.862 0.092 13 0 "[ . 1 . 2]" 1
471 1 62 LEU HA 1 66 GLU H . . 4.770 4.099 3.397 4.795 0.025 16 0 "[ . 1 . 2]" 1
472 1 62 LEU QD 1 63 ARG QD . . 4.540 4.203 2.304 4.618 0.078 6 0 "[ . 1 . 2]" 1
473 1 62 LEU QD 1 65 GLN H . . 4.660 4.357 3.881 4.743 0.083 20 0 "[ . 1 . 2]" 1
474 1 62 LEU HG 1 65 GLN QB . . 4.330 4.084 3.292 4.516 0.186 7 0 "[ . 1 . 2]" 1
475 1 63 ARG H 1 63 ARG HB2 . . 4.020 2.511 2.306 2.718 . 0 0 "[ . 1 . 2]" 1
476 1 63 ARG H 1 63 ARG HB3 . . 4.020 3.627 3.569 3.709 . 0 0 "[ . 1 . 2]" 1
477 1 63 ARG H 1 63 ARG HD2 . . 5.500 3.721 2.215 4.741 . 0 0 "[ . 1 . 2]" 1
478 1 63 ARG H 1 63 ARG HD3 . . 5.500 3.719 1.955 4.871 . 0 0 "[ . 1 . 2]" 1
479 1 63 ARG H 1 63 ARG HG2 . . 4.130 3.180 2.215 4.140 0.010 20 0 "[ . 1 . 2]" 1
480 1 63 ARG H 1 63 ARG QG . . 3.600 2.561 2.044 3.616 0.016 8 0 "[ . 1 . 2]" 1
481 1 63 ARG H 1 63 ARG HG3 . . 4.130 3.188 2.073 4.037 . 0 0 "[ . 1 . 2]" 1
482 1 63 ARG H 1 64 SER H . . 4.230 2.577 2.457 2.732 . 0 0 "[ . 1 . 2]" 1
483 1 63 ARG H 1 66 GLU HB2 . . 5.500 5.322 4.799 5.527 0.027 1 0 "[ . 1 . 2]" 1
484 1 63 ARG HA 1 63 ARG HD2 . . 5.020 3.458 2.028 4.929 . 0 0 "[ . 1 . 2]" 1
485 1 63 ARG HA 1 63 ARG QD . . 4.410 3.061 2.018 4.270 . 0 0 "[ . 1 . 2]" 1
486 1 63 ARG HA 1 63 ARG HD3 . . 5.020 3.820 2.097 4.815 . 0 0 "[ . 1 . 2]" 1
487 1 63 ARG QB 1 63 ARG QG . . 2.280 2.029 1.972 2.091 . 0 0 "[ . 1 . 2]" 1
488 1 63 ARG HB2 1 64 SER H . . 5.110 3.117 2.949 3.382 . 0 0 "[ . 1 . 2]" 1
489 1 63 ARG HB3 1 64 SER H . . 5.110 3.973 3.796 4.099 . 0 0 "[ . 1 . 2]" 1
490 1 64 SER H 1 65 GLN H . . 4.710 2.297 2.185 2.427 . 0 0 "[ . 1 . 2]" 1
491 1 65 GLN H 1 65 GLN QG . . 4.610 3.558 2.177 4.040 . 0 0 "[ . 1 . 2]" 1
492 1 65 GLN H 1 66 GLU H . . 5.030 2.424 2.083 2.669 . 0 0 "[ . 1 . 2]" 1
493 1 65 GLN HB2 1 66 GLU H . . 5.410 3.553 2.360 4.125 . 0 0 "[ . 1 . 2]" 1
494 1 65 GLN HB3 1 66 GLU H . . 5.410 2.990 2.283 3.994 . 0 0 "[ . 1 . 2]" 1
495 1 65 GLN QG 1 66 GLU H . . 5.500 3.889 3.305 4.599 . 0 0 "[ . 1 . 2]" 1
496 1 66 GLU H 1 66 GLU QG . . 4.760 2.905 2.122 4.029 . 0 0 "[ . 1 . 2]" 1
497 1 66 GLU H 1 67 LYS H . . 4.740 2.497 2.354 2.810 . 0 0 "[ . 1 . 2]" 1
498 1 66 GLU HB2 1 67 LYS H . . 4.700 3.379 2.595 4.088 . 0 0 "[ . 1 . 2]" 1
499 1 66 GLU HB3 1 67 LYS H . . 4.220 3.661 2.525 4.227 0.007 7 0 "[ . 1 . 2]" 1
500 1 66 GLU QG 1 67 LYS H . . 5.020 4.222 3.939 4.961 . 0 0 "[ . 1 . 2]" 1
501 1 67 LYS H 1 67 LYS QB . . 3.620 2.915 2.405 3.392 . 0 0 "[ . 1 . 2]" 1
502 1 67 LYS H 1 67 LYS QD . . 5.010 4.306 3.783 4.779 . 0 0 "[ . 1 . 2]" 1
503 1 67 LYS H 1 67 LYS HE2 . . 5.500 5.395 4.569 5.561 0.061 20 0 "[ . 1 . 2]" 1
504 1 67 LYS H 1 67 LYS HE3 . . 5.500 5.072 4.587 5.479 . 0 0 "[ . 1 . 2]" 1
505 1 67 LYS H 1 67 LYS QG . . 4.660 2.606 2.128 2.893 . 0 0 "[ . 1 . 2]" 1
506 1 67 LYS H 1 68 CYS H . . 5.110 3.734 2.398 4.556 . 0 0 "[ . 1 . 2]" 1
507 1 67 LYS HA 1 67 LYS HD2 . . 4.770 4.644 4.617 4.712 . 0 0 "[ . 1 . 2]" 1
508 1 67 LYS HA 1 67 LYS QD . . 4.090 3.982 3.896 4.183 0.093 7 0 "[ . 1 . 2]" 1
509 1 67 LYS HA 1 67 LYS HD3 . . 4.770 4.339 4.198 4.750 . 0 0 "[ . 1 . 2]" 1
510 1 67 LYS QB 1 67 LYS QD . . 2.340 2.064 2.009 2.106 . 0 0 "[ . 1 . 2]" 1
511 1 67 LYS QB 1 67 LYS QE . . 3.310 3.421 3.400 3.437 0.127 6 0 "[ . 1 . 2]" 1
512 1 67 LYS HB2 1 67 LYS HD2 . . 3.160 2.413 2.276 2.523 . 0 0 "[ . 1 . 2]" 1
513 1 67 LYS HB2 1 67 LYS HD3 . . 3.160 3.002 2.919 3.050 . 0 0 "[ . 1 . 2]" 1
514 1 67 LYS HB3 1 67 LYS HD2 . . 3.160 2.977 2.878 3.064 . 0 0 "[ . 1 . 2]" 1
515 1 67 LYS HB3 1 67 LYS HD3 . . 3.160 2.419 2.348 2.539 . 0 0 "[ . 1 . 2]" 1
516 1 68 CYS H 1 69 PHE H . . 5.300 4.357 4.278 4.470 . 0 0 "[ . 1 . 2]" 1
517 1 69 PHE H 1 70 LEU H . . 4.540 3.324 1.894 4.600 0.060 2 0 "[ . 1 . 2]" 1
518 1 69 PHE HA 1 69 PHE QD . . 3.650 2.750 2.562 2.897 . 0 0 "[ . 1 . 2]" 1
519 1 69 PHE HA 1 69 PHE QE . . 4.580 4.577 4.490 4.619 0.039 17 0 "[ . 1 . 2]" 1
520 1 69 PHE HA 1 70 LEU HA . . 5.290 4.517 4.164 4.803 . 0 0 "[ . 1 . 2]" 1
521 1 69 PHE QB 1 70 LEU H . . 3.960 3.204 1.981 3.988 0.028 17 0 "[ . 1 . 2]" 1
522 1 69 PHE HB2 1 70 LEU H . . 4.510 3.983 2.440 4.541 0.031 17 0 "[ . 1 . 2]" 1
523 1 69 PHE HB3 1 70 LEU H . . 4.510 3.496 2.005 4.418 . 0 0 "[ . 1 . 2]" 1
524 1 70 LEU H 1 70 LEU QB . . 3.630 2.429 2.199 2.747 . 0 0 "[ . 1 . 2]" 1
525 1 70 LEU H 1 70 LEU MD1 . . 5.050 3.593 2.107 4.280 . 0 0 "[ . 1 . 2]" 1
526 1 70 LEU H 1 70 LEU QD . . 4.300 2.945 1.734 3.790 . 0 0 "[ . 1 . 2]" 1
527 1 70 LEU H 1 70 LEU MD2 . . 5.050 3.388 1.741 4.327 . 0 0 "[ . 1 . 2]" 1
528 1 70 LEU H 1 70 LEU HG . . 4.840 3.535 2.002 4.651 . 0 0 "[ . 1 . 2]" 1
529 1 70 LEU H 1 71 PHE H . . 3.980 2.603 2.258 2.895 . 0 0 "[ . 1 . 2]" 1
530 1 70 LEU HA 1 70 LEU MD1 . . 4.110 3.100 2.063 3.877 . 0 0 "[ . 1 . 2]" 1
531 1 70 LEU HA 1 70 LEU MD2 . . 4.110 3.187 1.988 4.118 0.008 5 0 "[ . 1 . 2]" 1
532 1 70 LEU HA 1 71 PHE HA . . 5.380 4.769 4.397 5.336 . 0 0 "[ . 1 . 2]" 1
533 1 70 LEU QB 1 71 PHE H . . 4.050 2.904 2.421 3.773 . 0 0 "[ . 1 . 2]" 1
534 1 70 LEU QD 1 71 PHE H . . 5.440 3.448 2.185 4.148 . 0 0 "[ . 1 . 2]" 1
535 1 70 LEU QD 1 71 PHE QD . . 5.210 4.278 3.315 5.379 0.169 7 0 "[ . 1 . 2]" 1
536 1 71 PHE H 1 72 TRP H . . 2.960 2.519 1.704 3.035 0.075 3 0 "[ . 1 . 2]" 1
537 1 71 PHE QB 1 72 TRP H . . 3.990 3.316 2.245 3.996 0.006 10 0 "[ . 1 . 2]" 1
538 1 71 PHE HB2 1 72 TRP H . . 4.580 3.920 2.283 4.540 . 0 0 "[ . 1 . 2]" 1
539 1 71 PHE HB3 1 72 TRP H . . 4.580 3.772 2.862 4.436 . 0 0 "[ . 1 . 2]" 1
540 1 72 TRP H 1 72 TRP QB . . 3.650 2.685 2.220 3.371 . 0 0 "[ . 1 . 2]" 1
541 1 72 TRP H 1 73 SER H . . 4.120 3.093 1.711 4.206 0.086 11 0 "[ . 1 . 2]" 1
542 1 72 TRP HA 1 72 TRP HD1 . . 4.720 3.482 2.609 4.563 . 0 0 "[ . 1 . 2]" 1
543 1 72 TRP QB 1 72 TRP HD1 . . 3.360 2.703 2.519 2.906 . 0 0 "[ . 1 . 2]" 1
544 1 72 TRP QB 1 72 TRP HZ3 . . 4.980 4.742 4.616 4.986 0.006 17 0 "[ . 1 . 2]" 1
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