NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652839 |
6yi2   |
50218 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6yi2
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 956
_Distance_constraint_stats_list.Viol_count 591
_Distance_constraint_stats_list.Viol_total 259.673
_Distance_constraint_stats_list.Viol_max 0.280
_Distance_constraint_stats_list.Viol_rms 0.0141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0439
_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 ARG 0.000 0.000 . 0 "[ . 1]"
1 2 LEU 0.000 0.000 . 0 "[ . 1]"
1 5 THR 0.000 0.000 . 0 "[ . 1]"
1 6 VAL 0.403 0.165 10 0 "[ . 1]"
1 7 SER 0.403 0.165 10 0 "[ . 1]"
1 8 ARG 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 0.248 0.154 4 0 "[ . 1]"
1 10 VAL 0.248 0.154 4 0 "[ . 1]"
1 14 ARG 0.000 0.000 . 0 "[ . 1]"
1 16 GLY 0.166 0.061 4 0 "[ . 1]"
1 17 THR 0.172 0.061 4 0 "[ . 1]"
1 18 PRO 0.005 0.005 8 0 "[ . 1]"
1 19 MET 0.305 0.134 3 0 "[ . 1]"
1 20 VAL 0.305 0.134 3 0 "[ . 1]"
1 24 SER 0.000 0.000 . 0 "[ . 1]"
1 25 GLY 0.376 0.104 7 0 "[ . 1]"
1 26 TYR 1.231 0.110 10 0 "[ . 1]"
1 27 LYS 0.419 0.107 5 0 "[ . 1]"
1 28 LEU 0.555 0.092 4 0 "[ . 1]"
1 29 GLY 0.394 0.092 4 0 "[ . 1]"
1 30 GLN 1.367 0.129 4 0 "[ . 1]"
1 31 ARG 1.454 0.129 4 0 "[ . 1]"
1 32 VAL 2.850 0.152 7 0 "[ . 1]"
1 33 ARG 1.335 0.150 10 0 "[ . 1]"
1 34 HIS 1.396 0.172 7 0 "[ . 1]"
1 35 ALA 1.125 0.140 2 0 "[ . 1]"
1 36 LYS 2.813 0.280 9 0 "[ . 1]"
1 37 PHE 1.333 0.115 3 0 "[ . 1]"
1 38 GLY 0.636 0.076 5 0 "[ . 1]"
1 39 GLU 2.276 0.172 7 0 "[ . 1]"
1 40 GLY 2.272 0.165 3 0 "[ . 1]"
1 41 THR 0.711 0.090 4 0 "[ . 1]"
1 42 ILE 1.384 0.165 3 0 "[ . 1]"
1 43 VAL 0.717 0.077 8 0 "[ . 1]"
1 44 ASN 1.649 0.122 10 0 "[ . 1]"
1 45 MET 1.343 0.122 10 0 "[ . 1]"
1 46 GLU 1.302 0.161 2 0 "[ . 1]"
1 47 GLY 0.000 0.000 . 0 "[ . 1]"
1 48 SER 0.051 0.051 8 0 "[ . 1]"
1 49 GLY 0.000 0.000 . 0 "[ . 1]"
1 50 GLU 0.064 0.044 7 0 "[ . 1]"
1 51 HIS 0.000 0.000 . 0 "[ . 1]"
1 52 SER 0.177 0.051 8 0 "[ . 1]"
1 53 ARG 0.668 0.075 6 0 "[ . 1]"
1 54 LEU 1.473 0.125 3 0 "[ . 1]"
1 55 GLN 2.428 0.154 9 0 "[ . 1]"
1 56 VAL 1.560 0.154 9 0 "[ . 1]"
1 57 ALA 0.485 0.099 5 0 "[ . 1]"
1 58 PHE 0.923 0.098 10 0 "[ . 1]"
1 59 GLN 0.000 0.000 . 0 "[ . 1]"
1 61 GLN 0.000 0.000 . 0 "[ . 1]"
1 62 GLY 0.006 0.006 3 0 "[ . 1]"
1 63 ILE 0.325 0.034 3 0 "[ . 1]"
1 64 LYS 2.430 0.115 6 0 "[ . 1]"
1 65 TRP 1.440 0.108 4 0 "[ . 1]"
1 66 LEU 1.589 0.108 4 0 "[ . 1]"
1 67 VAL 0.143 0.045 5 0 "[ . 1]"
1 68 ALA 0.876 0.161 2 0 "[ . 1]"
1 69 ALA 0.018 0.018 7 0 "[ . 1]"
1 70 TYR 0.034 0.034 5 0 "[ . 1]"
1 71 ALA 1.062 0.121 7 0 "[ . 1]"
1 72 ARG 0.237 0.107 9 0 "[ . 1]"
1 73 LEU 1.121 0.079 10 0 "[ . 1]"
1 74 GLU 0.279 0.062 10 0 "[ . 1]"
1 75 SER 0.147 0.062 10 0 "[ . 1]"
1 76 VAL 1.242 0.150 10 0 "[ . 1]"
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 ARG QB 1 1 ARG QD . . 3.340 2.355 2.119 2.719 . 0 0 "[ . 1]" 1
2 1 2 LEU HA 1 2 LEU QD . . 3.660 2.236 2.019 3.003 . 0 0 "[ . 1]" 1
3 1 2 LEU HA 1 2 LEU HG . . 4.250 3.000 2.460 3.275 . 0 0 "[ . 1]" 1
4 1 5 THR HA 1 5 THR MG . . 3.560 2.840 2.217 3.227 . 0 0 "[ . 1]" 1
5 1 6 VAL H 1 7 SER HA . . 5.500 5.017 4.153 5.472 . 0 0 "[ . 1]" 1
6 1 6 VAL HB 1 7 SER HA . . 5.500 5.064 4.657 5.665 0.165 10 0 "[ . 1]" 1
7 1 8 ARG HA 1 9 PRO HA . . 4.840 4.512 4.407 4.620 . 0 0 "[ . 1]" 1
8 1 8 ARG HA 1 9 PRO HD2 . . 3.140 2.372 1.972 2.767 . 0 0 "[ . 1]" 1
9 1 8 ARG HA 1 9 PRO HD3 . . 3.140 2.231 1.862 2.601 . 0 0 "[ . 1]" 1
10 1 9 PRO HA 1 10 VAL H . . 3.060 2.400 2.133 2.703 . 0 0 "[ . 1]" 1
11 1 9 PRO HA 1 10 VAL HB . . 5.030 4.875 4.602 5.184 0.154 4 0 "[ . 1]" 1
12 1 9 PRO QB 1 10 VAL H . . 3.970 3.618 2.665 3.980 0.010 6 0 "[ . 1]" 1
13 1 9 PRO HB2 1 10 VAL H . . 4.610 4.012 2.759 4.343 . 0 0 "[ . 1]" 1
14 1 9 PRO HB3 1 10 VAL H . . 4.610 4.168 2.922 4.633 0.023 4 0 "[ . 1]" 1
15 1 10 VAL H 1 10 VAL HB . . 3.870 3.193 2.546 3.704 . 0 0 "[ . 1]" 1
16 1 10 VAL H 1 10 VAL MG1 . . 4.610 3.236 1.988 4.097 . 0 0 "[ . 1]" 1
17 1 10 VAL H 1 10 VAL QG . . 3.910 2.394 1.981 2.824 . 0 0 "[ . 1]" 1
18 1 10 VAL H 1 10 VAL MG2 . . 4.610 3.107 2.076 3.930 . 0 0 "[ . 1]" 1
19 1 14 ARG HA 1 14 ARG QG . . 3.440 2.739 2.349 3.350 . 0 0 "[ . 1]" 1
20 1 14 ARG HB2 1 14 ARG QG . . 2.400 2.305 2.162 2.396 . 0 0 "[ . 1]" 1
21 1 14 ARG HB3 1 14 ARG QG . . 2.400 2.330 2.158 2.376 . 0 0 "[ . 1]" 1
22 1 16 GLY H 1 17 THR HA . . 4.650 4.530 4.223 4.711 0.061 4 0 "[ . 1]" 1
23 1 16 GLY QA 1 17 THR HA . . 4.160 4.041 3.936 4.119 . 0 0 "[ . 1]" 1
24 1 17 THR HA 1 17 THR MG . . 3.520 2.637 2.188 3.225 . 0 0 "[ . 1]" 1
25 1 17 THR HA 1 18 PRO HD2 . . 3.250 2.295 1.951 2.651 . 0 0 "[ . 1]" 1
26 1 17 THR HA 1 18 PRO QD . . 2.770 1.932 1.833 2.038 . 0 0 "[ . 1]" 1
27 1 17 THR HA 1 18 PRO HD3 . . 3.250 2.184 1.883 2.532 . 0 0 "[ . 1]" 1
28 1 17 THR HB 1 18 PRO QD . . 4.040 3.374 2.456 4.045 0.005 8 0 "[ . 1]" 1
29 1 17 THR MG 1 18 PRO QD . . 4.080 3.270 2.327 3.994 . 0 0 "[ . 1]" 1
30 1 19 MET H 1 19 MET QB . . 3.920 2.716 2.286 3.377 . 0 0 "[ . 1]" 1
31 1 19 MET H 1 19 MET QG . . 4.900 3.392 2.384 4.121 . 0 0 "[ . 1]" 1
32 1 19 MET HA 1 20 VAL H . . 2.930 2.265 2.134 2.677 . 0 0 "[ . 1]" 1
33 1 19 MET HA 1 20 VAL HB . . 5.500 4.935 4.582 5.634 0.134 3 0 "[ . 1]" 1
34 1 19 MET QB 1 20 VAL H . . 3.870 3.348 2.002 3.925 0.055 2 0 "[ . 1]" 1
35 1 20 VAL H 1 20 VAL MG1 . . 3.980 3.242 1.854 3.809 . 0 0 "[ . 1]" 1
36 1 20 VAL H 1 20 VAL QG . . 3.480 2.043 1.850 2.304 . 0 0 "[ . 1]" 1
37 1 20 VAL H 1 20 VAL MG2 . . 3.980 2.430 1.953 3.797 . 0 0 "[ . 1]" 1
38 1 20 VAL HA 1 20 VAL MG1 . . 3.600 2.522 2.201 3.219 . 0 0 "[ . 1]" 1
39 1 20 VAL HA 1 20 VAL QG . . 3.040 2.189 2.127 2.362 . 0 0 "[ . 1]" 1
40 1 20 VAL HA 1 20 VAL MG2 . . 3.600 2.565 2.376 3.205 . 0 0 "[ . 1]" 1
41 1 24 SER QB 1 25 GLY H . . 3.990 3.483 2.748 3.926 . 0 0 "[ . 1]" 1
42 1 25 GLY H 1 26 TYR H . . 4.240 3.583 2.722 4.344 0.104 7 0 "[ . 1]" 1
43 1 25 GLY QA 1 26 TYR H . . 2.860 2.240 2.087 2.533 . 0 0 "[ . 1]" 1
44 1 25 GLY QA 1 26 TYR QD . . 4.200 3.659 2.928 4.221 0.021 9 0 "[ . 1]" 1
45 1 25 GLY HA2 1 26 TYR H . . 3.490 2.660 2.137 3.544 0.054 5 0 "[ . 1]" 1
46 1 25 GLY HA3 1 26 TYR H . . 3.490 2.915 2.110 3.517 0.027 9 0 "[ . 1]" 1
47 1 26 TYR H 1 26 TYR HB2 . . 3.000 2.508 2.333 2.669 . 0 0 "[ . 1]" 1
48 1 26 TYR H 1 26 TYR HB3 . . 3.680 3.658 3.561 3.779 0.099 5 0 "[ . 1]" 1
49 1 26 TYR H 1 26 TYR QD . . 3.360 2.738 2.084 3.278 . 0 0 "[ . 1]" 1
50 1 26 TYR H 1 27 LYS H . . 5.020 4.510 4.314 4.627 . 0 0 "[ . 1]" 1
51 1 26 TYR H 1 54 LEU MD1 . . 4.930 4.608 3.818 4.947 0.017 5 0 "[ . 1]" 1
52 1 26 TYR H 1 54 LEU QD . . 3.980 3.672 2.952 4.090 0.110 10 0 "[ . 1]" 1
53 1 26 TYR H 1 54 LEU MD2 . . 4.930 3.882 3.072 4.386 . 0 0 "[ . 1]" 1
54 1 26 TYR HA 1 26 TYR QD . . 3.210 2.818 2.510 3.077 . 0 0 "[ . 1]" 1
55 1 26 TYR HA 1 27 LYS H . . 2.700 2.305 2.121 2.541 . 0 0 "[ . 1]" 1
56 1 26 TYR HA 1 42 ILE MD . . 4.060 3.670 3.122 4.107 0.047 3 0 "[ . 1]" 1
57 1 26 TYR HA 1 54 LEU QD . . 4.910 4.191 4.062 4.451 . 0 0 "[ . 1]" 1
58 1 26 TYR HB2 1 27 LYS H . . 4.610 3.855 3.455 4.183 . 0 0 "[ . 1]" 1
59 1 26 TYR HB2 1 42 ILE MD . . 3.710 3.200 2.748 3.524 . 0 0 "[ . 1]" 1
60 1 26 TYR HB2 1 45 MET HB3 . . 5.110 4.792 4.365 5.076 . 0 0 "[ . 1]" 1
61 1 26 TYR HB2 1 54 LEU MD1 . . 4.630 2.951 2.517 3.557 . 0 0 "[ . 1]" 1
62 1 26 TYR HB2 1 54 LEU QD . . 3.500 2.203 1.944 2.407 . 0 0 "[ . 1]" 1
63 1 26 TYR HB2 1 54 LEU MD2 . . 4.630 2.278 2.023 2.492 . 0 0 "[ . 1]" 1
64 1 26 TYR HB3 1 27 LYS H . . 3.260 2.710 2.189 3.276 0.016 10 0 "[ . 1]" 1
65 1 26 TYR HB3 1 42 ILE MD . . 3.250 2.062 1.950 2.217 . 0 0 "[ . 1]" 1
66 1 26 TYR HB3 1 42 ILE MG . . 4.480 3.246 3.127 3.445 . 0 0 "[ . 1]" 1
67 1 26 TYR HB3 1 45 MET HB3 . . 5.390 5.248 4.901 5.464 0.074 4 0 "[ . 1]" 1
68 1 26 TYR HB3 1 54 LEU MD1 . . 4.350 3.027 2.651 3.299 . 0 0 "[ . 1]" 1
69 1 26 TYR HB3 1 54 LEU QD . . 3.450 2.672 2.347 2.921 . 0 0 "[ . 1]" 1
70 1 26 TYR HB3 1 54 LEU MD2 . . 4.350 2.992 2.618 3.283 . 0 0 "[ . 1]" 1
71 1 26 TYR QD 1 27 LYS H . . 4.110 3.711 3.378 3.971 . 0 0 "[ . 1]" 1
72 1 26 TYR QD 1 32 VAL MG1 . . 3.890 3.071 2.717 3.290 . 0 0 "[ . 1]" 1
73 1 26 TYR QD 1 42 ILE MD . . 3.160 2.415 2.105 2.740 . 0 0 "[ . 1]" 1
74 1 26 TYR QD 1 54 LEU MD1 . . 3.800 2.553 2.330 2.836 . 0 0 "[ . 1]" 1
75 1 26 TYR QD 1 54 LEU QD . . 3.270 2.338 2.127 2.521 . 0 0 "[ . 1]" 1
76 1 26 TYR QD 1 54 LEU MD2 . . 3.800 2.756 2.372 3.001 . 0 0 "[ . 1]" 1
77 1 26 TYR QD 1 68 ALA MB . . 4.060 2.795 2.232 3.276 . 0 0 "[ . 1]" 1
78 1 26 TYR QD 1 73 LEU HG . . 5.500 5.068 4.504 5.453 . 0 0 "[ . 1]" 1
79 1 26 TYR QE 1 32 VAL MG1 . . 3.500 3.235 2.860 3.503 0.003 9 0 "[ . 1]" 1
80 1 26 TYR QE 1 42 ILE MD . . 4.770 3.806 3.555 4.039 . 0 0 "[ . 1]" 1
81 1 26 TYR QE 1 54 LEU MD1 . . 4.440 3.072 2.834 3.210 . 0 0 "[ . 1]" 1
82 1 26 TYR QE 1 54 LEU QD . . 3.750 3.007 2.742 3.139 . 0 0 "[ . 1]" 1
83 1 26 TYR QE 1 54 LEU MD2 . . 4.440 4.289 3.645 4.464 0.024 10 0 "[ . 1]" 1
84 1 26 TYR QE 1 68 ALA HA . . 4.350 3.653 3.169 3.929 . 0 0 "[ . 1]" 1
85 1 26 TYR QE 1 68 ALA MB . . 3.970 2.700 2.123 3.390 . 0 0 "[ . 1]" 1
86 1 26 TYR QE 1 73 LEU HB2 . . 4.830 2.240 1.909 2.605 . 0 0 "[ . 1]" 1
87 1 26 TYR QE 1 73 LEU HG . . 4.590 4.379 4.105 4.608 0.018 3 0 "[ . 1]" 1
88 1 27 LYS H 1 27 LYS QB . . 3.090 2.672 2.425 3.064 . 0 0 "[ . 1]" 1
89 1 27 LYS H 1 27 LYS QG . . 3.420 2.708 2.395 3.037 . 0 0 "[ . 1]" 1
90 1 27 LYS H 1 28 LEU H . . 4.600 4.454 4.387 4.521 . 0 0 "[ . 1]" 1
91 1 27 LYS H 1 30 GLN HB2 . . 3.610 3.209 2.544 3.624 0.014 3 0 "[ . 1]" 1
92 1 27 LYS H 1 30 GLN HB3 . . 3.710 3.319 2.768 3.748 0.038 1 0 "[ . 1]" 1
93 1 27 LYS H 1 30 GLN QG . . 4.840 3.808 3.039 4.472 . 0 0 "[ . 1]" 1
94 1 27 LYS H 1 42 ILE MD . . 3.710 2.933 2.610 3.412 . 0 0 "[ . 1]" 1
95 1 27 LYS HA 1 27 LYS QD . . 5.010 3.952 2.056 4.541 . 0 0 "[ . 1]" 1
96 1 27 LYS HA 1 27 LYS QG . . 4.010 2.711 2.358 3.361 . 0 0 "[ . 1]" 1
97 1 27 LYS HA 1 28 LEU H . . 2.550 2.321 2.206 2.399 . 0 0 "[ . 1]" 1
98 1 27 LYS QB 1 27 LYS QD . . 3.220 2.247 2.111 2.754 . 0 0 "[ . 1]" 1
99 1 27 LYS QB 1 28 LEU H . . 3.060 2.633 2.464 2.911 . 0 0 "[ . 1]" 1
100 1 27 LYS QB 1 30 GLN HB2 . . 4.560 2.820 2.308 3.795 . 0 0 "[ . 1]" 1
101 1 27 LYS QB 1 30 GLN HB3 . . 4.870 4.047 3.555 4.972 0.102 5 0 "[ . 1]" 1
102 1 27 LYS QB 1 30 GLN QG . . 4.660 4.063 3.575 4.767 0.107 5 0 "[ . 1]" 1
103 1 27 LYS QE 1 27 LYS QG . . 3.470 2.345 2.132 2.707 . 0 0 "[ . 1]" 1
104 1 28 LEU H 1 28 LEU HB2 . . 2.600 2.462 2.162 2.525 . 0 0 "[ . 1]" 1
105 1 28 LEU H 1 28 LEU HB3 . . 3.670 3.597 3.445 3.625 . 0 0 "[ . 1]" 1
106 1 28 LEU H 1 28 LEU MD1 . . 4.040 3.697 2.624 3.876 . 0 0 "[ . 1]" 1
107 1 28 LEU H 1 28 LEU QD . . 3.150 2.951 2.587 3.158 0.008 6 0 "[ . 1]" 1
108 1 28 LEU H 1 28 LEU MD2 . . 4.040 3.211 2.993 3.942 . 0 0 "[ . 1]" 1
109 1 28 LEU H 1 28 LEU HG . . 4.180 2.601 2.299 4.234 0.054 4 0 "[ . 1]" 1
110 1 28 LEU H 1 29 GLY H . . 4.730 4.566 4.547 4.603 . 0 0 "[ . 1]" 1
111 1 28 LEU H 1 30 GLN HB2 . . 5.500 4.990 4.827 5.378 . 0 0 "[ . 1]" 1
112 1 28 LEU H 1 42 ILE HB . . 5.280 5.083 4.911 5.168 . 0 0 "[ . 1]" 1
113 1 28 LEU HA 1 28 LEU MD1 . . 3.970 3.630 2.227 3.806 . 0 0 "[ . 1]" 1
114 1 28 LEU HA 1 28 LEU QD . . 2.870 2.017 1.935 2.211 . 0 0 "[ . 1]" 1
115 1 28 LEU HA 1 28 LEU MD2 . . 3.970 2.179 1.940 3.774 . 0 0 "[ . 1]" 1
116 1 28 LEU HA 1 28 LEU HG . . 4.140 3.182 2.498 3.334 . 0 0 "[ . 1]" 1
117 1 28 LEU HA 1 29 GLY H . . 2.630 2.180 2.159 2.210 . 0 0 "[ . 1]" 1
118 1 28 LEU HA 1 29 GLY HA2 . . 4.560 4.433 4.415 4.464 . 0 0 "[ . 1]" 1
119 1 28 LEU HA 1 29 GLY HA3 . . 4.620 4.428 4.407 4.453 . 0 0 "[ . 1]" 1
120 1 28 LEU HA 1 30 GLN H . . 3.530 3.113 3.029 3.196 . 0 0 "[ . 1]" 1
121 1 28 LEU HA 1 42 ILE HA . . 5.350 4.986 4.853 5.114 . 0 0 "[ . 1]" 1
122 1 28 LEU HA 1 42 ILE HB . . 3.840 2.805 2.554 3.060 . 0 0 "[ . 1]" 1
123 1 28 LEU HA 1 42 ILE MG . . 3.110 2.878 2.732 3.012 . 0 0 "[ . 1]" 1
124 1 28 LEU HA 1 43 VAL HA . . 5.180 4.169 4.024 4.349 . 0 0 "[ . 1]" 1
125 1 28 LEU HB2 1 28 LEU MD1 . . 3.350 2.413 2.383 2.440 . 0 0 "[ . 1]" 1
126 1 28 LEU HB2 1 28 LEU QD . . 2.660 2.322 2.121 2.367 . 0 0 "[ . 1]" 1
127 1 28 LEU HB2 1 28 LEU MD2 . . 3.350 3.107 2.343 3.196 . 0 0 "[ . 1]" 1
128 1 28 LEU HB2 1 29 GLY H . . 4.310 4.032 3.954 4.183 . 0 0 "[ . 1]" 1
129 1 28 LEU HB3 1 28 LEU MD1 . . 3.560 2.382 2.266 3.199 . 0 0 "[ . 1]" 1
130 1 28 LEU HB3 1 28 LEU MD2 . . 3.560 2.447 2.356 2.500 . 0 0 "[ . 1]" 1
131 1 28 LEU HB3 1 29 GLY H . . 3.720 3.007 2.914 3.076 . 0 0 "[ . 1]" 1
132 1 28 LEU QD 1 29 GLY H . . 3.680 3.462 3.339 3.772 0.092 4 0 "[ . 1]" 1
133 1 28 LEU QD 1 42 ILE HB . . 4.620 3.412 3.192 3.670 . 0 0 "[ . 1]" 1
134 1 28 LEU QD 1 43 VAL HA . . 3.800 3.348 3.082 3.700 . 0 0 "[ . 1]" 1
135 1 28 LEU QD 1 43 VAL MG2 . . 4.580 4.152 4.059 4.423 . 0 0 "[ . 1]" 1
136 1 28 LEU QD 1 44 ASN H . . 4.620 3.056 2.853 3.430 . 0 0 "[ . 1]" 1
137 1 28 LEU QD 1 44 ASN HA . . 2.830 2.114 1.982 2.204 . 0 0 "[ . 1]" 1
138 1 28 LEU QD 1 44 ASN HB2 . . 4.600 3.884 3.726 4.268 . 0 0 "[ . 1]" 1
139 1 28 LEU QD 1 44 ASN HB3 . . 4.370 4.195 4.011 4.353 . 0 0 "[ . 1]" 1
140 1 28 LEU QD 1 45 MET H . . 3.260 2.771 2.644 2.975 . 0 0 "[ . 1]" 1
141 1 28 LEU QD 1 45 MET HB2 . . 4.810 3.934 3.703 4.205 . 0 0 "[ . 1]" 1
142 1 28 LEU QD 1 45 MET HB3 . . 3.420 2.724 2.432 3.040 . 0 0 "[ . 1]" 1
143 1 28 LEU QD 1 45 MET QG . . 3.150 2.153 1.915 3.166 0.016 9 0 "[ . 1]" 1
144 1 28 LEU MD1 1 29 GLY H . . 4.720 4.664 4.062 4.787 0.067 6 0 "[ . 1]" 1
145 1 28 LEU MD1 1 43 VAL HA . . 4.370 4.352 4.079 4.423 0.053 4 0 "[ . 1]" 1
146 1 28 LEU MD1 1 44 ASN HA . . 3.550 2.729 2.387 2.961 . 0 0 "[ . 1]" 1
147 1 28 LEU MD1 1 45 MET H . . 4.450 3.547 2.978 3.868 . 0 0 "[ . 1]" 1
148 1 28 LEU MD2 1 29 GLY H . . 4.720 3.614 3.408 4.474 . 0 0 "[ . 1]" 1
149 1 28 LEU MD2 1 43 VAL HA . . 4.370 3.487 3.154 3.968 . 0 0 "[ . 1]" 1
150 1 28 LEU MD2 1 44 ASN HA . . 3.550 2.221 2.017 2.329 . 0 0 "[ . 1]" 1
151 1 28 LEU MD2 1 45 MET H . . 4.450 2.954 2.709 3.606 . 0 0 "[ . 1]" 1
152 1 28 LEU HG 1 42 ILE MG . . 5.210 4.261 3.168 4.647 . 0 0 "[ . 1]" 1
153 1 29 GLY H 1 30 GLN H . . 2.920 2.403 2.272 2.547 . 0 0 "[ . 1]" 1
154 1 29 GLY H 1 30 GLN HB3 . . 5.240 4.698 4.577 4.864 . 0 0 "[ . 1]" 1
155 1 29 GLY H 1 41 THR MG . . 3.560 3.104 2.898 3.205 . 0 0 "[ . 1]" 1
156 1 29 GLY H 1 42 ILE H . . 4.630 3.966 3.781 4.116 . 0 0 "[ . 1]" 1
157 1 29 GLY H 1 42 ILE HB . . 3.650 3.167 3.026 3.341 . 0 0 "[ . 1]" 1
158 1 29 GLY H 1 42 ILE MG . . 4.590 3.893 3.769 3.963 . 0 0 "[ . 1]" 1
159 1 29 GLY H 1 43 VAL HA . . 4.300 3.280 3.164 3.411 . 0 0 "[ . 1]" 1
160 1 29 GLY HA2 1 41 THR MG . . 3.180 2.428 2.155 2.604 . 0 0 "[ . 1]" 1
161 1 29 GLY HA3 1 41 THR MG . . 4.160 3.760 3.529 3.902 . 0 0 "[ . 1]" 1
162 1 29 GLY HA3 1 43 VAL HA . . 5.500 5.485 5.302 5.531 0.031 3 0 "[ . 1]" 1
163 1 30 GLN H 1 30 GLN HB2 . . 3.010 2.589 2.456 2.675 . 0 0 "[ . 1]" 1
164 1 30 GLN H 1 30 GLN HB3 . . 2.650 2.551 2.448 2.660 0.010 9 0 "[ . 1]" 1
165 1 30 GLN H 1 30 GLN QG . . 4.230 4.027 3.975 4.112 . 0 0 "[ . 1]" 1
166 1 30 GLN H 1 31 ARG H . . 4.720 4.561 4.521 4.581 . 0 0 "[ . 1]" 1
167 1 30 GLN H 1 41 THR MG . . 3.920 3.495 3.273 3.768 . 0 0 "[ . 1]" 1
168 1 30 GLN H 1 42 ILE H . . 4.060 3.509 3.246 3.902 . 0 0 "[ . 1]" 1
169 1 30 GLN H 1 42 ILE HB . . 3.310 2.865 2.626 3.103 . 0 0 "[ . 1]" 1
170 1 30 GLN H 1 42 ILE MD . . 4.460 3.839 3.625 3.970 . 0 0 "[ . 1]" 1
171 1 30 GLN H 1 42 ILE QG . . 4.570 4.059 3.767 4.303 . 0 0 "[ . 1]" 1
172 1 30 GLN HA 1 30 GLN QG . . 3.110 2.668 2.422 2.990 . 0 0 "[ . 1]" 1
173 1 30 GLN HA 1 31 ARG H . . 2.440 2.224 2.200 2.263 . 0 0 "[ . 1]" 1
174 1 30 GLN HA 1 31 ARG QB . . 4.510 4.331 3.994 4.561 0.051 1 0 "[ . 1]" 1
175 1 30 GLN HB2 1 31 ARG H . . 4.240 4.093 4.010 4.198 . 0 0 "[ . 1]" 1
176 1 30 GLN HB2 1 42 ILE MD . . 4.330 3.577 3.277 3.731 . 0 0 "[ . 1]" 1
177 1 30 GLN HB3 1 30 GLN QG . . 2.780 2.255 2.157 2.409 . 0 0 "[ . 1]" 1
178 1 30 GLN HB3 1 31 ARG H . . 3.760 3.850 3.783 3.889 0.129 4 0 "[ . 1]" 1
179 1 30 GLN HB3 1 32 VAL MG1 . . 4.320 3.463 3.118 3.779 . 0 0 "[ . 1]" 1
180 1 30 GLN HB3 1 42 ILE MD . . 3.770 2.258 2.131 2.375 . 0 0 "[ . 1]" 1
181 1 30 GLN HB3 1 42 ILE MG . . 4.950 4.263 4.099 4.527 . 0 0 "[ . 1]" 1
182 1 30 GLN QG 1 31 ARG H . . 3.020 2.430 2.288 2.582 . 0 0 "[ . 1]" 1
183 1 30 GLN QG 1 32 VAL MG1 . . 3.440 3.027 2.664 3.442 0.002 3 0 "[ . 1]" 1
184 1 30 GLN QG 1 42 ILE MD . . 4.000 3.364 3.059 3.704 . 0 0 "[ . 1]" 1
185 1 30 GLN QG 1 75 SER HA . . 5.300 3.776 3.508 4.182 . 0 0 "[ . 1]" 1
186 1 31 ARG H 1 31 ARG QB . . 2.710 2.453 2.322 2.637 . 0 0 "[ . 1]" 1
187 1 31 ARG H 1 32 VAL H . . 4.620 4.429 4.377 4.492 . 0 0 "[ . 1]" 1
188 1 31 ARG H 1 32 VAL MG1 . . 4.640 4.310 4.153 4.483 . 0 0 "[ . 1]" 1
189 1 31 ARG H 1 32 VAL MG2 . . 5.500 5.516 5.424 5.590 0.090 3 0 "[ . 1]" 1
190 1 31 ARG H 1 41 THR MG . . 5.190 4.419 4.159 4.819 . 0 0 "[ . 1]" 1
191 1 31 ARG HA 1 31 ARG QD . . 4.040 3.167 2.024 4.163 0.123 4 0 "[ . 1]" 1
192 1 31 ARG HA 1 32 VAL H . . 2.560 2.144 2.111 2.196 . 0 0 "[ . 1]" 1
193 1 31 ARG HA 1 32 VAL MG1 . . 4.070 3.606 3.477 3.750 . 0 0 "[ . 1]" 1
194 1 31 ARG HA 1 32 VAL MG2 . . 4.050 3.599 3.522 3.703 . 0 0 "[ . 1]" 1
195 1 31 ARG HA 1 41 THR MG . . 4.170 3.485 3.242 3.978 . 0 0 "[ . 1]" 1
196 1 31 ARG HA 1 42 ILE H . . 4.600 3.589 3.163 3.946 . 0 0 "[ . 1]" 1
197 1 31 ARG HA 1 76 VAL QG . . 4.350 3.897 3.752 4.313 . 0 0 "[ . 1]" 1
198 1 31 ARG QB 1 76 VAL QG . . 4.100 2.410 2.011 3.157 . 0 0 "[ . 1]" 1
199 1 31 ARG HB2 1 76 VAL MG1 . . 6.480 3.837 2.232 5.645 . 0 0 "[ . 1]" 1
200 1 31 ARG HB2 1 76 VAL MG2 . . 6.480 3.773 2.840 6.273 . 0 0 "[ . 1]" 1
201 1 31 ARG HB3 1 76 VAL MG1 . . 6.480 3.445 2.067 4.579 . 0 0 "[ . 1]" 1
202 1 31 ARG HB3 1 76 VAL MG2 . . 6.480 3.180 2.262 5.265 . 0 0 "[ . 1]" 1
203 1 31 ARG QD 1 32 VAL H . . 5.350 4.498 2.449 5.372 0.022 9 0 "[ . 1]" 1
204 1 32 VAL H 1 32 VAL HB . . 3.950 3.754 3.733 3.773 . 0 0 "[ . 1]" 1
205 1 32 VAL H 1 32 VAL MG1 . . 3.310 2.807 2.760 2.841 . 0 0 "[ . 1]" 1
206 1 32 VAL H 1 32 VAL MG2 . . 2.820 2.053 2.009 2.094 . 0 0 "[ . 1]" 1
207 1 32 VAL H 1 39 GLU QB . . 4.640 4.124 3.961 4.254 . 0 0 "[ . 1]" 1
208 1 32 VAL H 1 40 GLY H . . 3.230 2.721 2.627 2.834 . 0 0 "[ . 1]" 1
209 1 32 VAL H 1 41 THR HA . . 3.790 3.356 3.249 3.552 . 0 0 "[ . 1]" 1
210 1 32 VAL H 1 41 THR MG . . 5.410 4.995 4.864 5.195 . 0 0 "[ . 1]" 1
211 1 32 VAL H 1 42 ILE H . . 5.500 4.303 4.228 4.388 . 0 0 "[ . 1]" 1
212 1 32 VAL H 1 56 VAL MG1 . . 4.220 3.851 3.730 4.019 . 0 0 "[ . 1]" 1
213 1 32 VAL H 1 73 LEU QD . . 5.500 4.751 4.688 4.819 . 0 0 "[ . 1]" 1
214 1 32 VAL HA 1 32 VAL MG1 . . 2.970 2.341 2.328 2.357 . 0 0 "[ . 1]" 1
215 1 32 VAL HA 1 32 VAL MG2 . . 3.500 3.202 3.197 3.206 . 0 0 "[ . 1]" 1
216 1 32 VAL HA 1 33 ARG H . . 2.740 2.300 2.243 2.362 . 0 0 "[ . 1]" 1
217 1 32 VAL HA 1 74 GLU H . . 4.530 4.520 4.271 4.576 0.046 10 0 "[ . 1]" 1
218 1 32 VAL HA 1 75 SER HA . . 3.360 2.564 2.280 2.871 . 0 0 "[ . 1]" 1
219 1 32 VAL HA 1 76 VAL H . . 3.350 2.977 2.848 3.156 . 0 0 "[ . 1]" 1
220 1 32 VAL HA 1 76 VAL QG . . 3.370 2.812 2.562 3.003 . 0 0 "[ . 1]" 1
221 1 32 VAL HB 1 33 ARG H . . 2.850 2.573 2.356 2.728 . 0 0 "[ . 1]" 1
222 1 32 VAL HB 1 56 VAL MG1 . . 4.690 4.273 4.157 4.387 . 0 0 "[ . 1]" 1
223 1 32 VAL HB 1 56 VAL MG2 . . 4.870 4.577 4.291 4.879 0.009 7 0 "[ . 1]" 1
224 1 32 VAL HB 1 73 LEU HB2 . . 4.140 3.469 3.364 3.618 . 0 0 "[ . 1]" 1
225 1 32 VAL HB 1 73 LEU HB3 . . 3.820 1.932 1.841 2.046 . 0 0 "[ . 1]" 1
226 1 32 VAL HB 1 73 LEU QD . . 3.290 1.914 1.855 2.060 . 0 0 "[ . 1]" 1
227 1 32 VAL HB 1 73 LEU HG . . 3.860 2.665 2.453 2.956 . 0 0 "[ . 1]" 1
228 1 32 VAL HB 1 74 GLU H . . 5.070 3.800 3.413 3.959 . 0 0 "[ . 1]" 1
229 1 32 VAL HB 1 76 VAL H . . 5.500 5.399 5.286 5.522 0.022 4 0 "[ . 1]" 1
230 1 32 VAL MG1 1 33 ARG H . . 3.820 3.696 3.612 3.759 . 0 0 "[ . 1]" 1
231 1 32 VAL MG1 1 40 GLY H . . 4.610 4.588 4.505 4.652 0.042 2 0 "[ . 1]" 1
232 1 32 VAL MG1 1 42 ILE H . . 4.850 3.622 3.535 3.775 . 0 0 "[ . 1]" 1
233 1 32 VAL MG1 1 42 ILE HA . . 4.860 4.791 4.681 4.871 0.011 7 0 "[ . 1]" 1
234 1 32 VAL MG1 1 42 ILE QG . . 3.550 2.216 2.136 2.274 . 0 0 "[ . 1]" 1
235 1 32 VAL MG1 1 54 LEU HB3 . . 5.500 5.186 4.835 5.519 0.019 7 0 "[ . 1]" 1
236 1 32 VAL MG1 1 54 LEU QD . . 4.810 3.549 3.255 3.843 . 0 0 "[ . 1]" 1
237 1 32 VAL MG1 1 56 VAL MG1 . . 3.760 3.482 3.318 3.575 . 0 0 "[ . 1]" 1
238 1 32 VAL MG1 1 71 ALA MB . . 5.200 5.233 5.084 5.321 0.121 7 0 "[ . 1]" 1
239 1 32 VAL MG1 1 73 LEU HB2 . . 3.860 2.908 2.832 2.966 . 0 0 "[ . 1]" 1
240 1 32 VAL MG1 1 73 LEU HB3 . . 3.820 2.322 2.155 2.474 . 0 0 "[ . 1]" 1
241 1 32 VAL MG1 1 73 LEU QD . . 3.350 3.056 2.972 3.119 . 0 0 "[ . 1]" 1
242 1 32 VAL MG1 1 73 LEU HG . . 3.180 2.507 2.326 2.727 . 0 0 "[ . 1]" 1
243 1 32 VAL MG1 1 74 GLU H . . 5.500 4.584 4.212 4.760 . 0 0 "[ . 1]" 1
244 1 32 VAL MG1 1 75 SER HA . . 4.010 3.361 2.945 3.659 . 0 0 "[ . 1]" 1
245 1 32 VAL MG2 1 33 ARG H . . 3.590 3.547 3.391 3.648 0.058 6 0 "[ . 1]" 1
246 1 32 VAL MG2 1 33 ARG HA . . 4.340 3.654 3.527 3.725 . 0 0 "[ . 1]" 1
247 1 32 VAL MG2 1 34 HIS H . . 4.440 4.378 4.074 4.537 0.097 5 0 "[ . 1]" 1
248 1 32 VAL MG2 1 39 GLU H . . 5.500 5.592 5.506 5.652 0.152 7 0 "[ . 1]" 1
249 1 32 VAL MG2 1 40 GLY H . . 3.200 2.354 2.250 2.473 . 0 0 "[ . 1]" 1
250 1 32 VAL MG2 1 40 GLY QA . . 4.080 3.150 2.862 3.280 . 0 0 "[ . 1]" 1
251 1 32 VAL MG2 1 41 THR H . . 4.230 4.243 4.060 4.320 0.090 4 0 "[ . 1]" 1
252 1 32 VAL MG2 1 41 THR HA . . 4.060 3.629 3.492 3.816 . 0 0 "[ . 1]" 1
253 1 32 VAL MG2 1 41 THR MG . . 5.280 5.077 4.985 5.198 . 0 0 "[ . 1]" 1
254 1 32 VAL MG2 1 42 ILE H . . 3.980 3.825 3.700 3.958 . 0 0 "[ . 1]" 1
255 1 32 VAL MG2 1 42 ILE MD . . 3.840 3.483 3.414 3.543 . 0 0 "[ . 1]" 1
256 1 32 VAL MG2 1 42 ILE QG . . 3.560 2.865 2.798 2.926 . 0 0 "[ . 1]" 1
257 1 32 VAL MG2 1 56 VAL MG1 . . 2.760 1.969 1.895 2.047 . 0 0 "[ . 1]" 1
258 1 32 VAL MG2 1 58 PHE QE . . 3.940 3.141 2.430 3.462 . 0 0 "[ . 1]" 1
259 1 32 VAL MG2 1 73 LEU HB2 . . 4.850 4.187 4.038 4.310 . 0 0 "[ . 1]" 1
260 1 32 VAL MG2 1 73 LEU HB3 . . 4.700 3.388 3.223 3.567 . 0 0 "[ . 1]" 1
261 1 32 VAL MG2 1 73 LEU QD . . 2.750 2.340 2.177 2.485 . 0 0 "[ . 1]" 1
262 1 32 VAL MG2 1 73 LEU HG . . 3.300 2.396 2.226 2.499 . 0 0 "[ . 1]" 1
263 1 32 VAL MG2 1 74 GLU H . . 5.500 5.038 4.761 5.206 . 0 0 "[ . 1]" 1
264 1 33 ARG H 1 33 ARG HB2 . . 3.450 2.873 2.441 3.179 . 0 0 "[ . 1]" 1
265 1 33 ARG H 1 33 ARG QB . . 2.980 2.536 2.400 2.595 . 0 0 "[ . 1]" 1
266 1 33 ARG H 1 33 ARG HB3 . . 3.450 2.952 2.730 3.549 0.099 6 0 "[ . 1]" 1
267 1 33 ARG H 1 33 ARG QD . . 5.070 4.810 4.475 5.094 0.024 4 0 "[ . 1]" 1
268 1 33 ARG H 1 33 ARG QG . . 4.280 4.013 3.474 4.154 . 0 0 "[ . 1]" 1
269 1 33 ARG H 1 34 HIS H . . 4.340 4.270 4.173 4.336 . 0 0 "[ . 1]" 1
270 1 33 ARG H 1 73 LEU HB3 . . 4.000 3.479 3.141 3.734 . 0 0 "[ . 1]" 1
271 1 33 ARG H 1 73 LEU QD . . 3.880 2.993 2.665 3.463 . 0 0 "[ . 1]" 1
272 1 33 ARG H 1 74 GLU H . . 3.440 2.878 2.699 2.978 . 0 0 "[ . 1]" 1
273 1 33 ARG H 1 74 GLU QB . . 4.160 3.348 2.969 3.566 . 0 0 "[ . 1]" 1
274 1 33 ARG H 1 76 VAL QG . . 3.820 3.310 3.008 3.516 . 0 0 "[ . 1]" 1
275 1 33 ARG HA 1 33 ARG QD . . 4.570 4.019 3.888 4.137 . 0 0 "[ . 1]" 1
276 1 33 ARG HA 1 33 ARG QG . . 3.540 2.348 2.231 2.449 . 0 0 "[ . 1]" 1
277 1 33 ARG HA 1 34 HIS H . . 2.640 2.142 2.087 2.180 . 0 0 "[ . 1]" 1
278 1 33 ARG HA 1 34 HIS HA . . 5.500 4.409 4.389 4.429 . 0 0 "[ . 1]" 1
279 1 33 ARG HA 1 34 HIS QB . . 4.480 4.030 3.959 4.069 . 0 0 "[ . 1]" 1
280 1 33 ARG HA 1 39 GLU QB . . 4.250 2.718 2.425 3.217 . 0 0 "[ . 1]" 1
281 1 33 ARG HA 1 73 LEU QD . . 4.670 3.804 3.665 4.055 . 0 0 "[ . 1]" 1
282 1 33 ARG QB 1 33 ARG QD . . 3.100 2.221 2.091 2.399 . 0 0 "[ . 1]" 1
283 1 33 ARG QB 1 34 HIS H . . 3.950 3.633 3.228 3.803 . 0 0 "[ . 1]" 1
284 1 33 ARG QB 1 73 LEU QD . . 4.680 4.354 4.142 4.658 . 0 0 "[ . 1]" 1
285 1 33 ARG QB 1 74 GLU H . . 4.500 3.830 3.650 4.004 . 0 0 "[ . 1]" 1
286 1 33 ARG QB 1 74 GLU QB . . 3.860 2.617 2.139 3.110 . 0 0 "[ . 1]" 1
287 1 33 ARG QB 1 76 VAL QG . . 3.080 2.124 1.798 2.745 . 0 0 "[ . 1]" 1
288 1 33 ARG HB2 1 34 HIS H . . 4.570 4.340 4.189 4.441 . 0 0 "[ . 1]" 1
289 1 33 ARG HB2 1 76 VAL MG1 . . 5.480 3.384 2.057 4.645 . 0 0 "[ . 1]" 1
290 1 33 ARG HB2 1 76 VAL MG2 . . 5.480 2.458 1.810 3.436 . 0 0 "[ . 1]" 1
291 1 33 ARG HB3 1 34 HIS H . . 4.570 3.925 3.327 4.174 . 0 0 "[ . 1]" 1
292 1 33 ARG HB3 1 76 VAL MG1 . . 5.480 4.593 3.287 5.542 0.062 6 0 "[ . 1]" 1
293 1 33 ARG HB3 1 76 VAL MG2 . . 5.480 3.756 3.272 4.623 . 0 0 "[ . 1]" 1
294 1 33 ARG QD 1 34 HIS H . . 5.410 4.875 4.590 5.415 0.005 6 0 "[ . 1]" 1
295 1 33 ARG QD 1 76 VAL MG1 . . 3.870 3.202 2.589 3.831 . 0 0 "[ . 1]" 1
296 1 33 ARG QD 1 76 VAL QG . . 3.370 2.640 2.156 3.104 . 0 0 "[ . 1]" 1
297 1 33 ARG QD 1 76 VAL MG2 . . 3.870 2.870 2.219 3.510 . 0 0 "[ . 1]" 1
298 1 33 ARG QG 1 34 HIS H . . 3.490 2.912 2.521 3.581 0.091 6 0 "[ . 1]" 1
299 1 33 ARG QG 1 39 GLU H . . 4.900 4.472 4.106 4.926 0.026 3 0 "[ . 1]" 1
300 1 33 ARG QG 1 39 GLU QB . . 4.420 2.342 1.780 3.768 . 0 0 "[ . 1]" 1
301 1 33 ARG QG 1 40 GLY H . . 5.200 5.084 4.428 5.337 0.137 7 0 "[ . 1]" 1
302 1 33 ARG QG 1 74 GLU QB . . 5.340 4.373 3.960 4.664 . 0 0 "[ . 1]" 1
303 1 33 ARG QG 1 76 VAL MG1 . . 4.000 3.811 3.410 4.150 0.150 10 0 "[ . 1]" 1
304 1 33 ARG QG 1 76 VAL QG . . 3.390 2.898 1.809 3.415 0.025 5 0 "[ . 1]" 1
305 1 33 ARG QG 1 76 VAL MG2 . . 4.000 3.138 1.816 4.005 0.005 5 0 "[ . 1]" 1
306 1 34 HIS H 1 34 HIS QB . . 3.040 2.639 2.554 2.732 . 0 0 "[ . 1]" 1
307 1 34 HIS H 1 38 GLY H . . 4.510 3.574 3.463 3.701 . 0 0 "[ . 1]" 1
308 1 34 HIS H 1 38 GLY HA2 . . 4.850 3.865 3.726 4.141 . 0 0 "[ . 1]" 1
309 1 34 HIS H 1 38 GLY QA . . 4.160 3.691 3.584 3.901 . 0 0 "[ . 1]" 1
310 1 34 HIS H 1 38 GLY HA3 . . 4.850 4.684 4.597 4.766 . 0 0 "[ . 1]" 1
311 1 34 HIS H 1 39 GLU HA . . 3.040 3.047 2.892 3.103 0.063 1 0 "[ . 1]" 1
312 1 34 HIS H 1 39 GLU QB . . 4.430 3.985 3.693 4.602 0.172 7 0 "[ . 1]" 1
313 1 34 HIS H 1 58 PHE QE . . 4.470 3.756 3.220 4.010 . 0 0 "[ . 1]" 1
314 1 34 HIS H 1 73 LEU QD . . 3.660 3.645 3.551 3.687 0.027 6 0 "[ . 1]" 1
315 1 34 HIS H 1 76 VAL QG . . 5.360 5.080 4.880 5.288 . 0 0 "[ . 1]" 1
316 1 34 HIS HA 1 35 ALA MB . . 4.140 4.014 3.944 4.108 . 0 0 "[ . 1]" 1
317 1 34 HIS HA 1 36 LYS H . . 4.910 4.085 3.718 4.677 . 0 0 "[ . 1]" 1
318 1 34 HIS HA 1 73 LEU QD . . 3.470 3.408 3.252 3.506 0.036 4 0 "[ . 1]" 1
319 1 34 HIS QB 1 36 LYS H . . 4.210 3.221 2.585 3.816 . 0 0 "[ . 1]" 1
320 1 34 HIS QB 1 37 PHE H . . 3.240 2.550 2.163 2.945 . 0 0 "[ . 1]" 1
321 1 34 HIS QB 1 38 GLY H . . 3.290 3.299 3.117 3.366 0.076 5 0 "[ . 1]" 1
322 1 34 HIS QB 1 58 PHE QE . . 3.620 3.185 2.966 3.627 0.007 2 0 "[ . 1]" 1
323 1 34 HIS QB 1 58 PHE HZ . . 3.800 3.619 3.275 3.800 . 0 0 "[ . 1]" 1
324 1 34 HIS QB 1 66 LEU HG . . 5.330 5.007 4.526 5.358 0.028 7 0 "[ . 1]" 1
325 1 34 HIS QB 1 73 LEU QD . . 2.990 1.987 1.783 2.253 . 0 0 "[ . 1]" 1
326 1 35 ALA H 1 35 ALA MB . . 3.450 2.218 2.188 2.255 . 0 0 "[ . 1]" 1
327 1 35 ALA H 1 36 LYS H . . 4.670 2.795 2.470 3.029 . 0 0 "[ . 1]" 1
328 1 35 ALA H 1 36 LYS QG . . 5.340 4.937 4.032 5.455 0.115 3 0 "[ . 1]" 1
329 1 35 ALA H 1 73 LEU QD . . 5.500 4.994 4.850 5.119 . 0 0 "[ . 1]" 1
330 1 35 ALA HA 1 37 PHE H . . 5.000 4.549 4.245 4.998 . 0 0 "[ . 1]" 1
331 1 35 ALA MB 1 36 LYS H . . 2.940 2.750 2.325 3.038 0.098 1 0 "[ . 1]" 1
332 1 35 ALA MB 1 36 LYS HA . . 4.110 3.814 3.657 3.936 . 0 0 "[ . 1]" 1
333 1 35 ALA MB 1 36 LYS HD2 . . 3.600 2.986 2.171 3.740 0.140 2 0 "[ . 1]" 1
334 1 35 ALA MB 1 36 LYS QD . . 3.130 2.560 2.137 3.237 0.107 10 0 "[ . 1]" 1
335 1 35 ALA MB 1 36 LYS HD3 . . 3.600 3.203 2.221 3.658 0.058 9 0 "[ . 1]" 1
336 1 35 ALA MB 1 38 GLY H . . 5.160 4.878 4.717 4.973 . 0 0 "[ . 1]" 1
337 1 36 LYS H 1 36 LYS HB2 . . 3.150 2.418 2.267 2.663 . 0 0 "[ . 1]" 1
338 1 36 LYS H 1 36 LYS HD2 . . 5.330 3.189 2.272 4.245 . 0 0 "[ . 1]" 1
339 1 36 LYS H 1 36 LYS QD . . 4.610 2.630 2.159 3.194 . 0 0 "[ . 1]" 1
340 1 36 LYS H 1 36 LYS HD3 . . 5.330 2.989 2.617 3.980 . 0 0 "[ . 1]" 1
341 1 36 LYS H 1 36 LYS QG . . 3.650 2.981 2.107 3.651 0.001 7 0 "[ . 1]" 1
342 1 36 LYS H 1 37 PHE H . . 2.660 2.365 2.235 2.491 . 0 0 "[ . 1]" 1
343 1 36 LYS H 1 37 PHE HB2 . . 4.730 4.635 4.409 4.806 0.076 9 0 "[ . 1]" 1
344 1 36 LYS H 1 38 GLY H . . 3.610 3.623 3.548 3.674 0.064 3 0 "[ . 1]" 1
345 1 36 LYS HA 1 36 LYS HB3 . . 2.860 2.508 2.379 2.620 . 0 0 "[ . 1]" 1
346 1 36 LYS HA 1 36 LYS QD . . 4.250 2.805 1.944 4.151 . 0 0 "[ . 1]" 1
347 1 36 LYS HA 1 36 LYS QG . . 3.540 2.634 2.362 3.194 . 0 0 "[ . 1]" 1
348 1 36 LYS HA 1 38 GLY H . . 5.260 4.401 3.926 4.711 . 0 0 "[ . 1]" 1
349 1 36 LYS HB2 1 36 LYS QD . . 3.110 2.637 2.198 3.390 0.280 9 0 "[ . 1]" 1
350 1 36 LYS HB2 1 37 PHE H . . 2.850 2.891 2.746 2.965 0.115 3 0 "[ . 1]" 1
351 1 36 LYS HB2 1 37 PHE QD . . 3.910 3.649 2.977 3.968 0.058 7 0 "[ . 1]" 1
352 1 36 LYS HB2 1 38 GLY H . . 5.500 4.834 4.675 5.019 . 0 0 "[ . 1]" 1
353 1 36 LYS HB3 1 36 LYS QD . . 3.540 3.105 2.552 3.330 . 0 0 "[ . 1]" 1
354 1 36 LYS HB3 1 37 PHE QD . . 4.200 3.862 3.070 4.271 0.071 6 0 "[ . 1]" 1
355 1 36 LYS QD 1 37 PHE H . . 5.070 4.331 4.029 4.736 . 0 0 "[ . 1]" 1
356 1 37 PHE H 1 37 PHE HB2 . . 3.560 2.528 2.318 2.627 . 0 0 "[ . 1]" 1
357 1 37 PHE H 1 37 PHE HB3 . . 3.730 3.707 3.583 3.773 0.043 9 0 "[ . 1]" 1
358 1 37 PHE H 1 37 PHE QD . . 4.010 3.407 2.928 3.587 . 0 0 "[ . 1]" 1
359 1 37 PHE H 1 38 GLY H . . 3.190 2.092 1.836 2.432 . 0 0 "[ . 1]" 1
360 1 37 PHE HB2 1 38 GLY H . . 4.360 3.325 3.253 3.375 . 0 0 "[ . 1]" 1
361 1 37 PHE HB2 1 58 PHE QD . . 4.820 4.212 3.718 4.825 0.005 2 0 "[ . 1]" 1
362 1 37 PHE HB2 1 66 LEU QD . . 4.780 4.231 3.860 4.554 . 0 0 "[ . 1]" 1
363 1 37 PHE HB3 1 38 GLY H . . 4.550 4.108 3.987 4.178 . 0 0 "[ . 1]" 1
364 1 37 PHE HB3 1 58 PHE HB2 . . 5.290 4.753 4.091 5.341 0.051 3 0 "[ . 1]" 1
365 1 37 PHE HB3 1 58 PHE QE . . 3.500 3.232 2.765 3.496 . 0 0 "[ . 1]" 1
366 1 37 PHE HB3 1 58 PHE HZ . . 3.920 3.566 3.153 3.946 0.026 1 0 "[ . 1]" 1
367 1 37 PHE QD 1 66 LEU QD . . 3.650 2.662 2.368 3.037 . 0 0 "[ . 1]" 1
368 1 37 PHE QD 1 66 LEU HG . . 3.910 3.914 3.784 3.969 0.059 9 0 "[ . 1]" 1
369 1 37 PHE QE 1 66 LEU QD . . 4.590 2.178 1.944 2.496 . 0 0 "[ . 1]" 1
370 1 38 GLY H 1 38 GLY HA2 . . 2.940 2.366 2.337 2.409 . 0 0 "[ . 1]" 1
371 1 38 GLY H 1 38 GLY HA3 . . 2.940 2.927 2.907 2.948 0.008 9 0 "[ . 1]" 1
372 1 38 GLY H 1 39 GLU H . . 4.660 4.516 4.363 4.593 . 0 0 "[ . 1]" 1
373 1 38 GLY QA 1 39 GLU H . . 2.790 2.191 2.127 2.233 . 0 0 "[ . 1]" 1
374 1 39 GLU H 1 39 GLU QB . . 3.510 2.951 2.543 3.259 . 0 0 "[ . 1]" 1
375 1 39 GLU H 1 39 GLU HG2 . . 4.140 2.708 2.033 3.809 . 0 0 "[ . 1]" 1
376 1 39 GLU H 1 39 GLU QG . . 3.420 2.510 2.006 2.839 . 0 0 "[ . 1]" 1
377 1 39 GLU H 1 39 GLU HG3 . . 4.140 3.379 2.485 3.840 . 0 0 "[ . 1]" 1
378 1 39 GLU H 1 40 GLY H . . 4.670 4.454 4.309 4.529 . 0 0 "[ . 1]" 1
379 1 39 GLU HA 1 39 GLU QG . . 3.660 3.325 2.540 3.508 . 0 0 "[ . 1]" 1
380 1 39 GLU HA 1 40 GLY H . . 2.500 2.279 2.229 2.312 . 0 0 "[ . 1]" 1
381 1 39 GLU QB 1 40 GLY H . . 3.070 2.745 2.639 2.821 . 0 0 "[ . 1]" 1
382 1 39 GLU QB 1 76 VAL H . . 5.500 5.468 5.271 5.593 0.093 6 0 "[ . 1]" 1
383 1 39 GLU QB 1 76 VAL QG . . 4.620 2.468 2.279 2.698 . 0 0 "[ . 1]" 1
384 1 39 GLU QG 1 40 GLY H . . 4.090 3.879 3.765 4.087 . 0 0 "[ . 1]" 1
385 1 39 GLU QG 1 76 VAL QG . . 3.750 3.499 2.532 3.855 0.105 10 0 "[ . 1]" 1
386 1 39 GLU HG2 1 40 GLY H . . 4.840 4.506 4.023 4.892 0.052 3 0 "[ . 1]" 1
387 1 39 GLU HG3 1 40 GLY H . . 4.840 4.443 3.918 4.921 0.081 7 0 "[ . 1]" 1
388 1 40 GLY H 1 41 THR H . . 4.540 4.382 4.355 4.422 . 0 0 "[ . 1]" 1
389 1 40 GLY H 1 42 ILE QG . . 5.500 5.619 5.584 5.665 0.165 3 0 "[ . 1]" 1
390 1 40 GLY H 1 56 VAL MG1 . . 3.780 3.483 3.312 3.729 . 0 0 "[ . 1]" 1
391 1 40 GLY H 1 58 PHE QD . . 4.470 3.879 3.269 4.357 . 0 0 "[ . 1]" 1
392 1 40 GLY H 1 73 LEU QD . . 4.580 4.565 4.399 4.632 0.052 6 0 "[ . 1]" 1
393 1 40 GLY QA 1 41 THR H . . 2.640 2.262 2.245 2.286 . 0 0 "[ . 1]" 1
394 1 40 GLY QA 1 56 VAL MG1 . . 3.130 2.158 2.045 2.290 . 0 0 "[ . 1]" 1
395 1 40 GLY QA 1 58 PHE HA . . 3.280 2.077 1.818 2.521 . 0 0 "[ . 1]" 1
396 1 40 GLY QA 1 58 PHE QD . . 4.190 3.023 2.843 3.249 . 0 0 "[ . 1]" 1
397 1 40 GLY HA2 1 41 THR H . . 3.020 2.515 2.433 2.604 . 0 0 "[ . 1]" 1
398 1 40 GLY HA2 1 56 VAL MG1 . . 3.680 3.560 3.420 3.707 0.027 5 0 "[ . 1]" 1
399 1 40 GLY HA2 1 58 PHE HA . . 3.770 2.444 2.158 2.773 . 0 0 "[ . 1]" 1
400 1 40 GLY HA3 1 41 THR H . . 3.020 2.571 2.514 2.667 . 0 0 "[ . 1]" 1
401 1 40 GLY HA3 1 56 VAL MG1 . . 3.680 2.176 2.060 2.312 . 0 0 "[ . 1]" 1
402 1 40 GLY HA3 1 58 PHE HA . . 3.770 2.269 1.956 2.925 . 0 0 "[ . 1]" 1
403 1 41 THR H 1 41 THR HB . . 3.040 2.639 2.530 2.688 . 0 0 "[ . 1]" 1
404 1 41 THR H 1 41 THR MG . . 4.070 3.853 3.800 3.869 . 0 0 "[ . 1]" 1
405 1 41 THR H 1 43 VAL MG1 . . 4.760 4.296 4.140 4.495 . 0 0 "[ . 1]" 1
406 1 41 THR H 1 56 VAL HA . . 4.560 4.456 4.311 4.592 0.032 5 0 "[ . 1]" 1
407 1 41 THR H 1 56 VAL MG1 . . 3.090 2.876 2.783 2.983 . 0 0 "[ . 1]" 1
408 1 41 THR H 1 57 ALA H . . 3.310 3.098 2.977 3.222 . 0 0 "[ . 1]" 1
409 1 41 THR H 1 57 ALA MB . . 3.820 2.989 2.915 3.102 . 0 0 "[ . 1]" 1
410 1 41 THR H 1 58 PHE HA . . 4.150 3.593 3.401 3.808 . 0 0 "[ . 1]" 1
411 1 41 THR HA 1 41 THR MG . . 3.100 2.364 2.311 2.443 . 0 0 "[ . 1]" 1
412 1 41 THR HA 1 42 ILE H . . 2.560 2.153 2.141 2.168 . 0 0 "[ . 1]" 1
413 1 41 THR HB 1 42 ILE H . . 4.540 4.173 4.125 4.239 . 0 0 "[ . 1]" 1
414 1 41 THR HB 1 43 VAL MG1 . . 3.640 3.037 2.913 3.251 . 0 0 "[ . 1]" 1
415 1 41 THR HB 1 57 ALA H . . 4.490 3.900 3.651 4.003 . 0 0 "[ . 1]" 1
416 1 41 THR HB 1 57 ALA MB . . 3.570 2.852 2.677 3.087 . 0 0 "[ . 1]" 1
417 1 41 THR MG 1 42 ILE H . . 2.970 2.727 2.617 2.795 . 0 0 "[ . 1]" 1
418 1 41 THR MG 1 42 ILE HB . . 4.280 4.116 4.005 4.205 . 0 0 "[ . 1]" 1
419 1 41 THR MG 1 43 VAL H . . 4.290 4.190 3.834 4.312 0.022 10 0 "[ . 1]" 1
420 1 41 THR MG 1 43 VAL HA . . 5.000 3.612 3.232 3.743 . 0 0 "[ . 1]" 1
421 1 41 THR MG 1 43 VAL MG1 . . 3.010 2.844 2.529 3.028 0.018 2 0 "[ . 1]" 1
422 1 41 THR MG 1 43 VAL MG2 . . 5.500 4.678 4.380 4.823 . 0 0 "[ . 1]" 1
423 1 41 THR MG 1 56 VAL MG1 . . 4.560 4.564 4.458 4.639 0.079 9 0 "[ . 1]" 1
424 1 41 THR MG 1 57 ALA H . . 4.520 4.483 4.401 4.538 0.018 1 0 "[ . 1]" 1
425 1 41 THR MG 1 57 ALA MB . . 4.260 3.974 3.821 4.068 . 0 0 "[ . 1]" 1
426 1 42 ILE H 1 42 ILE HB . . 2.780 2.620 2.581 2.648 . 0 0 "[ . 1]" 1
427 1 42 ILE H 1 42 ILE MD . . 3.610 3.564 3.534 3.602 . 0 0 "[ . 1]" 1
428 1 42 ILE H 1 42 ILE QG . . 2.880 1.994 1.951 2.069 . 0 0 "[ . 1]" 1
429 1 42 ILE H 1 43 VAL H . . 5.500 4.345 4.316 4.400 . 0 0 "[ . 1]" 1
430 1 42 ILE H 1 56 VAL HA . . 4.640 4.348 4.271 4.442 . 0 0 "[ . 1]" 1
431 1 42 ILE H 1 56 VAL MG1 . . 4.030 3.429 3.275 3.545 . 0 0 "[ . 1]" 1
432 1 42 ILE H 1 56 VAL MG2 . . 4.920 4.281 4.114 4.416 . 0 0 "[ . 1]" 1
433 1 42 ILE HA 1 42 ILE MD . . 4.180 3.862 3.841 3.878 . 0 0 "[ . 1]" 1
434 1 42 ILE HA 1 42 ILE MG . . 3.020 2.330 2.308 2.345 . 0 0 "[ . 1]" 1
435 1 42 ILE HA 1 43 VAL H . . 2.760 2.172 2.159 2.185 . 0 0 "[ . 1]" 1
436 1 42 ILE HA 1 43 VAL MG1 . . 4.450 3.883 3.850 3.933 . 0 0 "[ . 1]" 1
437 1 42 ILE HA 1 43 VAL MG2 . . 3.880 3.725 3.683 3.749 . 0 0 "[ . 1]" 1
438 1 42 ILE HA 1 44 ASN H . . 3.680 3.569 3.501 3.654 . 0 0 "[ . 1]" 1
439 1 42 ILE HA 1 56 VAL HA . . 3.310 2.117 2.041 2.185 . 0 0 "[ . 1]" 1
440 1 42 ILE HA 1 56 VAL MG1 . . 3.990 3.004 2.832 3.208 . 0 0 "[ . 1]" 1
441 1 42 ILE HA 1 56 VAL MG2 . . 3.320 2.837 2.582 2.944 . 0 0 "[ . 1]" 1
442 1 42 ILE HA 1 57 ALA H . . 3.810 3.311 3.170 3.471 . 0 0 "[ . 1]" 1
443 1 42 ILE HA 1 57 ALA MB . . 5.180 4.728 4.566 4.883 . 0 0 "[ . 1]" 1
444 1 42 ILE HB 1 42 ILE MD . . 3.030 2.424 2.408 2.443 . 0 0 "[ . 1]" 1
445 1 42 ILE HB 1 56 VAL HA . . 5.270 5.087 5.003 5.171 . 0 0 "[ . 1]" 1
446 1 42 ILE MD 1 54 LEU HB2 . . 4.800 4.158 3.984 4.392 . 0 0 "[ . 1]" 1
447 1 42 ILE MD 1 54 LEU HB3 . . 4.440 3.174 3.013 3.416 . 0 0 "[ . 1]" 1
448 1 42 ILE MD 1 54 LEU QD . . 3.490 2.237 2.032 2.531 . 0 0 "[ . 1]" 1
449 1 42 ILE MD 1 54 LEU HG . . 5.500 4.758 4.482 5.039 . 0 0 "[ . 1]" 1
450 1 42 ILE MD 1 56 VAL MG1 . . 4.800 4.113 3.862 4.318 . 0 0 "[ . 1]" 1
451 1 42 ILE MD 1 56 VAL MG2 . . 3.540 3.258 3.191 3.364 . 0 0 "[ . 1]" 1
452 1 42 ILE MD 1 73 LEU QD . . 4.600 4.075 3.758 4.358 . 0 0 "[ . 1]" 1
453 1 42 ILE QG 1 43 VAL H . . 4.760 4.389 4.348 4.430 . 0 0 "[ . 1]" 1
454 1 42 ILE QG 1 54 LEU MD1 . . 5.040 3.418 3.138 3.809 . 0 0 "[ . 1]" 1
455 1 42 ILE QG 1 54 LEU QD . . 4.270 3.285 3.029 3.614 . 0 0 "[ . 1]" 1
456 1 42 ILE QG 1 54 LEU MD2 . . 5.040 4.263 3.941 4.495 . 0 0 "[ . 1]" 1
457 1 42 ILE QG 1 56 VAL MG1 . . 4.130 2.792 2.513 3.013 . 0 0 "[ . 1]" 1
458 1 42 ILE QG 1 56 VAL MG2 . . 3.370 1.946 1.869 2.031 . 0 0 "[ . 1]" 1
459 1 42 ILE MG 1 43 VAL H . . 3.360 3.140 3.036 3.194 . 0 0 "[ . 1]" 1
460 1 42 ILE MG 1 43 VAL HA . . 4.670 4.133 4.061 4.210 . 0 0 "[ . 1]" 1
461 1 42 ILE MG 1 44 ASN H . . 2.900 2.831 2.750 2.914 0.014 5 0 "[ . 1]" 1
462 1 42 ILE MG 1 44 ASN HA . . 4.290 4.001 3.823 4.092 . 0 0 "[ . 1]" 1
463 1 42 ILE MG 1 44 ASN HB3 . . 5.500 4.962 4.851 5.245 . 0 0 "[ . 1]" 1
464 1 42 ILE MG 1 45 MET HB2 . . 5.500 4.196 3.719 4.442 . 0 0 "[ . 1]" 1
465 1 42 ILE MG 1 45 MET HB3 . . 3.480 2.928 2.703 3.108 . 0 0 "[ . 1]" 1
466 1 42 ILE MG 1 45 MET QG . . 3.980 3.910 3.660 4.007 0.027 3 0 "[ . 1]" 1
467 1 42 ILE MG 1 54 LEU HA . . 4.340 3.511 3.406 3.639 . 0 0 "[ . 1]" 1
468 1 42 ILE MG 1 54 LEU HB2 . . 4.410 3.702 3.515 3.920 . 0 0 "[ . 1]" 1
469 1 42 ILE MG 1 54 LEU HB3 . . 3.930 2.334 2.207 2.520 . 0 0 "[ . 1]" 1
470 1 42 ILE MG 1 54 LEU MD1 . . 4.270 3.270 2.998 3.559 . 0 0 "[ . 1]" 1
471 1 42 ILE MG 1 54 LEU QD . . 3.040 2.542 2.230 2.799 . 0 0 "[ . 1]" 1
472 1 42 ILE MG 1 54 LEU MD2 . . 4.270 2.655 2.291 2.928 . 0 0 "[ . 1]" 1
473 1 42 ILE MG 1 54 LEU HG . . 5.200 4.712 4.510 4.936 . 0 0 "[ . 1]" 1
474 1 42 ILE MG 1 55 GLN H . . 3.500 3.149 2.916 3.299 . 0 0 "[ . 1]" 1
475 1 42 ILE MG 1 55 GLN QB . . 5.340 4.233 4.088 4.355 . 0 0 "[ . 1]" 1
476 1 42 ILE MG 1 56 VAL H . . 4.790 4.708 4.561 4.803 0.013 9 0 "[ . 1]" 1
477 1 42 ILE MG 1 56 VAL HA . . 4.000 3.581 3.394 3.722 . 0 0 "[ . 1]" 1
478 1 42 ILE MG 1 56 VAL MG2 . . 3.200 2.846 2.587 3.119 . 0 0 "[ . 1]" 1
479 1 43 VAL H 1 43 VAL HB . . 3.890 3.681 3.669 3.694 . 0 0 "[ . 1]" 1
480 1 43 VAL H 1 43 VAL MG1 . . 2.960 2.575 2.530 2.658 . 0 0 "[ . 1]" 1
481 1 43 VAL H 1 43 VAL MG2 . . 2.810 1.939 1.920 1.955 . 0 0 "[ . 1]" 1
482 1 43 VAL H 1 44 ASN H . . 2.680 2.195 2.131 2.258 . 0 0 "[ . 1]" 1
483 1 43 VAL H 1 55 GLN H . . 5.210 4.679 4.525 4.844 . 0 0 "[ . 1]" 1
484 1 43 VAL H 1 55 GLN QB . . 4.180 3.976 3.760 4.107 . 0 0 "[ . 1]" 1
485 1 43 VAL H 1 56 VAL HA . . 3.340 2.873 2.757 2.969 . 0 0 "[ . 1]" 1
486 1 43 VAL H 1 56 VAL MG1 . . 4.500 4.388 4.244 4.520 0.020 10 0 "[ . 1]" 1
487 1 43 VAL H 1 56 VAL MG2 . . 4.500 4.369 4.178 4.462 . 0 0 "[ . 1]" 1
488 1 43 VAL H 1 57 ALA H . . 3.730 3.174 3.069 3.351 . 0 0 "[ . 1]" 1
489 1 43 VAL HA 1 43 VAL HB . . 2.900 2.477 2.469 2.485 . 0 0 "[ . 1]" 1
490 1 43 VAL HA 1 43 VAL MG1 . . 2.780 2.321 2.311 2.333 . 0 0 "[ . 1]" 1
491 1 43 VAL HA 1 43 VAL MG2 . . 3.450 3.211 3.208 3.214 . 0 0 "[ . 1]" 1
492 1 43 VAL HB 1 44 ASN H . . 3.980 3.945 3.835 4.019 0.039 4 0 "[ . 1]" 1
493 1 43 VAL HB 1 57 ALA MB . . 4.520 4.299 4.127 4.472 . 0 0 "[ . 1]" 1
494 1 43 VAL MG1 1 56 VAL HA . . 4.160 4.110 3.993 4.174 0.014 7 0 "[ . 1]" 1
495 1 43 VAL MG1 1 57 ALA H . . 3.300 2.938 2.842 3.056 . 0 0 "[ . 1]" 1
496 1 43 VAL MG1 1 57 ALA MB . . 2.780 2.193 2.071 2.375 . 0 0 "[ . 1]" 1
497 1 43 VAL MG2 1 44 ASN H . . 2.940 2.412 2.238 2.549 . 0 0 "[ . 1]" 1
498 1 43 VAL MG2 1 44 ASN HB2 . . 3.720 2.723 2.484 2.798 . 0 0 "[ . 1]" 1
499 1 43 VAL MG2 1 44 ASN HB3 . . 3.930 3.144 2.984 4.007 0.077 8 0 "[ . 1]" 1
500 1 43 VAL MG2 1 45 MET H . . 5.500 5.513 5.444 5.545 0.045 4 0 "[ . 1]" 1
501 1 43 VAL MG2 1 55 GLN QB . . 3.250 2.761 2.480 2.916 . 0 0 "[ . 1]" 1
502 1 43 VAL MG2 1 56 VAL HA . . 3.900 3.465 3.309 3.583 . 0 0 "[ . 1]" 1
503 1 43 VAL MG2 1 57 ALA H . . 3.620 3.095 2.851 3.280 . 0 0 "[ . 1]" 1
504 1 43 VAL MG2 1 57 ALA MB . . 2.940 2.628 2.405 2.751 . 0 0 "[ . 1]" 1
505 1 44 ASN H 1 44 ASN HB2 . . 3.480 3.201 2.705 3.301 . 0 0 "[ . 1]" 1
506 1 44 ASN H 1 44 ASN HB3 . . 3.680 3.052 2.913 3.738 0.058 8 0 "[ . 1]" 1
507 1 44 ASN H 1 45 MET H . . 4.700 4.366 4.328 4.394 . 0 0 "[ . 1]" 1
508 1 44 ASN H 1 55 GLN H . . 3.690 3.394 3.305 3.472 . 0 0 "[ . 1]" 1
509 1 44 ASN H 1 55 GLN QB . . 3.050 2.922 2.691 3.071 0.021 2 0 "[ . 1]" 1
510 1 44 ASN H 1 56 VAL HA . . 4.600 4.337 4.195 4.492 . 0 0 "[ . 1]" 1
511 1 44 ASN H 1 57 ALA MB . . 5.400 5.424 5.358 5.499 0.099 5 0 "[ . 1]" 1
512 1 44 ASN HA 1 45 MET H . . 2.830 2.384 2.331 2.414 . 0 0 "[ . 1]" 1
513 1 44 ASN HA 1 55 GLN QB . . 4.900 4.230 4.104 4.493 . 0 0 "[ . 1]" 1
514 1 44 ASN HB2 1 45 MET H . . 4.120 3.901 3.838 3.962 . 0 0 "[ . 1]" 1
515 1 44 ASN HB2 1 55 GLN H . . 5.140 5.060 3.971 5.234 0.094 2 0 "[ . 1]" 1
516 1 44 ASN HB2 1 55 GLN QB . . 3.780 3.277 2.044 3.632 . 0 0 "[ . 1]" 1
517 1 44 ASN HB3 1 45 MET H . . 3.410 3.399 2.575 3.532 0.122 10 0 "[ . 1]" 1
518 1 44 ASN HB3 1 55 GLN H . . 4.620 3.762 3.640 4.238 . 0 0 "[ . 1]" 1
519 1 44 ASN HB3 1 55 GLN QB . . 3.670 2.057 1.844 2.932 . 0 0 "[ . 1]" 1
520 1 45 MET H 1 45 MET HB2 . . 4.020 3.967 3.925 4.025 0.005 9 0 "[ . 1]" 1
521 1 45 MET H 1 45 MET HB3 . . 3.650 3.400 3.239 3.505 . 0 0 "[ . 1]" 1
522 1 45 MET H 1 55 GLN QB . . 5.090 4.375 4.174 4.744 . 0 0 "[ . 1]" 1
523 1 45 MET HA 1 46 GLU H . . 2.630 2.292 2.214 2.408 . 0 0 "[ . 1]" 1
524 1 45 MET HA 1 54 LEU HA . . 3.310 2.188 2.106 2.274 . 0 0 "[ . 1]" 1
525 1 45 MET HA 1 54 LEU HB2 . . 5.500 5.166 5.078 5.248 . 0 0 "[ . 1]" 1
526 1 45 MET HA 1 54 LEU HB3 . . 5.010 4.207 4.098 4.304 . 0 0 "[ . 1]" 1
527 1 45 MET HA 1 54 LEU QD . . 3.660 3.235 3.109 3.379 . 0 0 "[ . 1]" 1
528 1 45 MET HA 1 55 GLN H . . 3.490 2.663 2.475 2.876 . 0 0 "[ . 1]" 1
529 1 45 MET HB2 1 46 GLU H . . 3.210 2.706 2.456 2.876 . 0 0 "[ . 1]" 1
530 1 45 MET HB2 1 54 LEU QD . . 3.430 2.224 2.011 2.432 . 0 0 "[ . 1]" 1
531 1 45 MET HB2 1 55 GLN H . . 4.770 4.558 4.130 4.794 0.024 8 0 "[ . 1]" 1
532 1 45 MET HB3 1 46 GLU H . . 4.010 3.925 3.804 4.030 0.020 10 0 "[ . 1]" 1
533 1 45 MET HB3 1 54 LEU QD . . 3.130 2.547 2.352 2.914 . 0 0 "[ . 1]" 1
534 1 45 MET HB3 1 55 GLN H . . 4.710 3.808 3.638 3.983 . 0 0 "[ . 1]" 1
535 1 45 MET QG 1 46 GLU H . . 5.110 3.959 3.162 4.410 . 0 0 "[ . 1]" 1
536 1 45 MET QG 1 54 LEU QD . . 3.740 3.597 3.222 3.768 0.028 2 0 "[ . 1]" 1
537 1 45 MET HG2 1 54 LEU HA . . 5.500 5.219 5.003 5.487 . 0 0 "[ . 1]" 1
538 1 45 MET HG3 1 54 LEU HA . . 5.500 5.281 5.074 5.478 . 0 0 "[ . 1]" 1
539 1 46 GLU H 1 46 GLU QG . . 3.710 2.767 2.366 2.931 . 0 0 "[ . 1]" 1
540 1 46 GLU H 1 47 GLY H . . 4.930 4.326 4.220 4.476 . 0 0 "[ . 1]" 1
541 1 46 GLU H 1 52 SER HA . . 5.170 4.574 4.255 4.757 . 0 0 "[ . 1]" 1
542 1 46 GLU H 1 53 ARG H . . 3.520 2.820 2.734 2.936 . 0 0 "[ . 1]" 1
543 1 46 GLU H 1 53 ARG HB2 . . 4.250 3.458 3.035 3.734 . 0 0 "[ . 1]" 1
544 1 46 GLU H 1 53 ARG HG3 . . 5.500 5.099 4.682 5.455 . 0 0 "[ . 1]" 1
545 1 46 GLU H 1 54 LEU HA . . 3.490 3.349 3.197 3.429 . 0 0 "[ . 1]" 1
546 1 46 GLU H 1 54 LEU HB3 . . 5.500 5.567 5.539 5.625 0.125 3 0 "[ . 1]" 1
547 1 46 GLU H 1 54 LEU QD . . 3.940 3.529 3.316 3.734 . 0 0 "[ . 1]" 1
548 1 46 GLU H 1 54 LEU HG . . 5.500 5.191 5.086 5.308 . 0 0 "[ . 1]" 1
549 1 46 GLU H 1 68 ALA MB . . 5.500 5.468 5.208 5.661 0.161 2 0 "[ . 1]" 1
550 1 46 GLU HA 1 47 GLY H . . 3.330 2.186 2.126 2.342 . 0 0 "[ . 1]" 1
551 1 46 GLU HA 1 53 ARG H . . 5.060 4.530 4.461 4.660 . 0 0 "[ . 1]" 1
552 1 46 GLU QB 1 53 ARG H . . 4.140 2.834 2.304 4.176 0.036 7 0 "[ . 1]" 1
553 1 46 GLU HB2 1 47 GLY H . . 4.440 4.009 2.671 4.264 . 0 0 "[ . 1]" 1
554 1 46 GLU HB3 1 47 GLY H . . 4.440 3.340 2.606 3.845 . 0 0 "[ . 1]" 1
555 1 46 GLU QG 1 47 GLY H . . 4.780 4.251 3.852 4.754 . 0 0 "[ . 1]" 1
556 1 46 GLU QG 1 53 ARG H . . 4.500 4.194 2.501 4.539 0.039 2 0 "[ . 1]" 1
557 1 47 GLY QA 1 48 SER H . . 3.020 2.236 2.161 2.268 . 0 0 "[ . 1]" 1
558 1 47 GLY QA 1 52 SER HA . . 3.600 2.866 2.202 3.420 . 0 0 "[ . 1]" 1
559 1 47 GLY QA 1 53 ARG H . . 4.490 3.967 3.340 4.335 . 0 0 "[ . 1]" 1
560 1 47 GLY HA2 1 48 SER H . . 3.480 2.719 2.491 2.879 . 0 0 "[ . 1]" 1
561 1 47 GLY HA3 1 48 SER H . . 3.480 2.394 2.233 2.574 . 0 0 "[ . 1]" 1
562 1 48 SER H 1 52 SER HA . . 4.710 3.733 2.820 4.666 . 0 0 "[ . 1]" 1
563 1 48 SER H 1 52 SER QB . . 3.760 3.411 2.750 3.811 0.051 8 0 "[ . 1]" 1
564 1 49 GLY H 1 52 SER HA . . 5.500 5.125 4.650 5.496 . 0 0 "[ . 1]" 1
565 1 50 GLU HA 1 50 GLU QG . . 3.560 2.494 2.401 2.867 . 0 0 "[ . 1]" 1
566 1 50 GLU HA 1 52 SER H . . 4.390 3.657 3.574 3.788 . 0 0 "[ . 1]" 1
567 1 50 GLU HA 1 69 ALA MB . . 4.030 2.280 1.854 3.304 . 0 0 "[ . 1]" 1
568 1 50 GLU QB 1 51 HIS H . . 4.400 2.667 2.271 3.094 . 0 0 "[ . 1]" 1
569 1 50 GLU QB 1 52 SER H . . 4.600 4.488 4.178 4.644 0.044 7 0 "[ . 1]" 1
570 1 50 GLU QB 1 69 ALA MB . . 4.130 3.188 2.585 3.768 . 0 0 "[ . 1]" 1
571 1 50 GLU QG 1 69 ALA MB . . 4.450 2.881 1.927 3.933 . 0 0 "[ . 1]" 1
572 1 51 HIS H 1 51 HIS QB . . 3.620 2.496 2.308 2.951 . 0 0 "[ . 1]" 1
573 1 51 HIS H 1 52 SER H . . 3.710 2.871 2.603 3.148 . 0 0 "[ . 1]" 1
574 1 51 HIS HA 1 52 SER H . . 3.440 2.916 2.812 3.096 . 0 0 "[ . 1]" 1
575 1 51 HIS QB 1 52 SER H . . 4.290 3.845 3.620 4.041 . 0 0 "[ . 1]" 1
576 1 51 HIS HB2 1 52 SER H . . 5.110 4.267 3.853 4.474 . 0 0 "[ . 1]" 1
577 1 51 HIS HB3 1 52 SER H . . 5.110 4.403 3.878 4.617 . 0 0 "[ . 1]" 1
578 1 52 SER H 1 52 SER HB2 . . 3.820 3.034 2.518 3.696 . 0 0 "[ . 1]" 1
579 1 52 SER H 1 52 SER QB . . 2.980 2.563 2.299 2.909 . 0 0 "[ . 1]" 1
580 1 52 SER H 1 52 SER HB3 . . 3.820 2.927 2.566 3.675 . 0 0 "[ . 1]" 1
581 1 52 SER H 1 53 ARG H . . 4.560 4.526 4.431 4.595 0.035 2 0 "[ . 1]" 1
582 1 52 SER H 1 67 VAL QG . . 4.790 3.889 3.531 4.409 . 0 0 "[ . 1]" 1
583 1 52 SER H 1 68 ALA MB . . 4.150 3.505 2.867 3.965 . 0 0 "[ . 1]" 1
584 1 52 SER H 1 69 ALA MB . . 5.120 3.978 3.351 4.531 . 0 0 "[ . 1]" 1
585 1 52 SER HA 1 53 ARG H . . 2.630 2.215 2.157 2.303 . 0 0 "[ . 1]" 1
586 1 52 SER QB 1 54 LEU QD . . 4.530 3.571 3.167 4.087 . 0 0 "[ . 1]" 1
587 1 52 SER QB 1 68 ALA MB . . 3.460 2.460 1.967 3.331 . 0 0 "[ . 1]" 1
588 1 52 SER HB2 1 53 ARG H . . 4.260 3.636 2.780 4.271 0.011 1 0 "[ . 1]" 1
589 1 52 SER HB2 1 68 ALA MB . . 4.230 3.109 2.268 3.818 . 0 0 "[ . 1]" 1
590 1 52 SER HB3 1 53 ARG H . . 4.260 3.781 2.809 4.105 . 0 0 "[ . 1]" 1
591 1 52 SER HB3 1 68 ALA MB . . 4.230 3.099 1.980 4.135 . 0 0 "[ . 1]" 1
592 1 53 ARG H 1 53 ARG HB2 . . 3.110 2.695 2.593 2.829 . 0 0 "[ . 1]" 1
593 1 53 ARG H 1 53 ARG QD . . 5.340 4.417 4.177 4.710 . 0 0 "[ . 1]" 1
594 1 53 ARG H 1 53 ARG HG3 . . 3.950 2.868 2.701 3.048 . 0 0 "[ . 1]" 1
595 1 53 ARG H 1 54 LEU QD . . 5.050 4.170 3.963 4.267 . 0 0 "[ . 1]" 1
596 1 53 ARG H 1 54 LEU HG . . 5.130 4.962 4.750 5.060 . 0 0 "[ . 1]" 1
597 1 53 ARG H 1 67 VAL QG . . 5.030 4.730 4.609 5.060 0.030 5 0 "[ . 1]" 1
598 1 53 ARG H 1 68 ALA MB . . 5.310 4.334 4.044 4.547 . 0 0 "[ . 1]" 1
599 1 53 ARG HA 1 53 ARG HG3 . . 3.800 3.210 3.098 3.334 . 0 0 "[ . 1]" 1
600 1 53 ARG HA 1 54 LEU H . . 2.720 2.230 2.169 2.369 . 0 0 "[ . 1]" 1
601 1 53 ARG HA 1 54 LEU HB2 . . 5.500 4.796 4.733 4.879 . 0 0 "[ . 1]" 1
602 1 53 ARG HA 1 54 LEU HG . . 4.410 3.438 3.346 3.494 . 0 0 "[ . 1]" 1
603 1 53 ARG HA 1 66 LEU QB . . 5.500 4.786 4.675 4.906 . 0 0 "[ . 1]" 1
604 1 53 ARG HA 1 67 VAL HA . . 3.290 2.160 2.008 2.418 . 0 0 "[ . 1]" 1
605 1 53 ARG HA 1 67 VAL MG1 . . 4.810 3.760 3.580 3.905 . 0 0 "[ . 1]" 1
606 1 53 ARG HA 1 67 VAL QG . . 3.980 3.368 3.204 3.573 . 0 0 "[ . 1]" 1
607 1 53 ARG HA 1 67 VAL MG2 . . 4.810 3.811 3.613 4.207 . 0 0 "[ . 1]" 1
608 1 53 ARG HA 1 68 ALA H . . 3.060 2.378 1.963 2.594 . 0 0 "[ . 1]" 1
609 1 53 ARG HA 1 68 ALA MB . . 4.620 3.519 2.994 3.741 . 0 0 "[ . 1]" 1
610 1 53 ARG HB2 1 54 LEU H . . 4.210 3.900 3.578 4.103 . 0 0 "[ . 1]" 1
611 1 53 ARG HB3 1 53 ARG QD . . 3.710 2.455 2.340 2.811 . 0 0 "[ . 1]" 1
612 1 53 ARG HB3 1 54 LEU H . . 3.480 2.938 2.570 3.216 . 0 0 "[ . 1]" 1
613 1 53 ARG HB3 1 54 LEU QD . . 5.440 5.054 4.951 5.259 . 0 0 "[ . 1]" 1
614 1 53 ARG HB3 1 65 TRP HE3 . . 4.000 3.731 3.409 4.049 0.049 6 0 "[ . 1]" 1
615 1 53 ARG HB3 1 66 LEU H . . 4.270 3.823 3.626 3.975 . 0 0 "[ . 1]" 1
616 1 53 ARG HB3 1 67 VAL QG . . 4.400 3.673 3.275 3.890 . 0 0 "[ . 1]" 1
617 1 53 ARG HB3 1 68 ALA H . . 4.910 4.704 4.159 4.972 0.062 10 0 "[ . 1]" 1
618 1 53 ARG QD 1 54 LEU H . . 5.340 5.006 4.660 5.373 0.033 6 0 "[ . 1]" 1
619 1 53 ARG QD 1 67 VAL QG . . 3.580 3.026 2.335 3.584 0.004 6 0 "[ . 1]" 1
620 1 53 ARG HG2 1 67 VAL HA . . 4.470 2.531 2.292 2.892 . 0 0 "[ . 1]" 1
621 1 53 ARG HG2 1 67 VAL QG . . 3.610 2.180 2.035 2.520 . 0 0 "[ . 1]" 1
622 1 53 ARG HG2 1 68 ALA H . . 4.290 4.044 3.719 4.280 . 0 0 "[ . 1]" 1
623 1 53 ARG HG2 1 68 ALA MB . . 5.390 5.325 4.971 5.465 0.075 6 0 "[ . 1]" 1
624 1 53 ARG HG3 1 67 VAL HA . . 4.460 3.926 3.636 4.186 . 0 0 "[ . 1]" 1
625 1 53 ARG HG3 1 67 VAL MG1 . . 4.830 3.886 3.648 4.245 . 0 0 "[ . 1]" 1
626 1 53 ARG HG3 1 67 VAL QG . . 4.190 3.375 3.153 3.702 . 0 0 "[ . 1]" 1
627 1 53 ARG HG3 1 67 VAL MG2 . . 4.830 3.716 3.431 4.231 . 0 0 "[ . 1]" 1
628 1 54 LEU H 1 54 LEU HB2 . . 3.070 2.727 2.646 2.787 . 0 0 "[ . 1]" 1
629 1 54 LEU H 1 54 LEU HB3 . . 4.040 3.738 3.682 3.798 . 0 0 "[ . 1]" 1
630 1 54 LEU H 1 54 LEU MD1 . . 4.310 3.722 3.560 3.922 . 0 0 "[ . 1]" 1
631 1 54 LEU H 1 54 LEU QD . . 3.590 3.217 3.102 3.357 . 0 0 "[ . 1]" 1
632 1 54 LEU H 1 54 LEU MD2 . . 4.310 3.522 3.387 3.649 . 0 0 "[ . 1]" 1
633 1 54 LEU H 1 54 LEU HG . . 3.110 2.471 2.262 2.752 . 0 0 "[ . 1]" 1
634 1 54 LEU H 1 56 VAL MG2 . . 5.500 4.596 4.453 4.842 . 0 0 "[ . 1]" 1
635 1 54 LEU H 1 66 LEU H . . 3.510 2.744 2.611 2.963 . 0 0 "[ . 1]" 1
636 1 54 LEU H 1 67 VAL HA . . 3.790 3.527 3.352 3.685 . 0 0 "[ . 1]" 1
637 1 54 LEU H 1 68 ALA H . . 3.900 3.588 3.373 3.842 . 0 0 "[ . 1]" 1
638 1 54 LEU HA 1 54 LEU QD . . 2.950 2.296 2.189 2.393 . 0 0 "[ . 1]" 1
639 1 54 LEU HA 1 55 GLN H . . 2.660 2.192 2.151 2.254 . 0 0 "[ . 1]" 1
640 1 54 LEU HA 1 56 VAL MG2 . . 5.130 4.388 4.296 4.597 . 0 0 "[ . 1]" 1
641 1 54 LEU HB2 1 54 LEU MD1 . . 3.300 2.256 2.234 2.289 . 0 0 "[ . 1]" 1
642 1 54 LEU HB2 1 54 LEU QD . . 2.810 2.212 2.192 2.242 . 0 0 "[ . 1]" 1
643 1 54 LEU HB2 1 54 LEU MD2 . . 3.300 3.190 3.184 3.196 . 0 0 "[ . 1]" 1
644 1 54 LEU HB2 1 55 GLN H . . 3.910 3.917 3.784 3.993 0.083 8 0 "[ . 1]" 1
645 1 54 LEU HB2 1 55 GLN HA . . 5.320 4.538 4.359 4.641 . 0 0 "[ . 1]" 1
646 1 54 LEU HB2 1 56 VAL MG2 . . 3.600 2.635 2.409 2.849 . 0 0 "[ . 1]" 1
647 1 54 LEU HB2 1 73 LEU HG . . 5.500 5.201 4.887 5.502 0.002 7 0 "[ . 1]" 1
648 1 54 LEU HB3 1 54 LEU MD1 . . 3.330 2.443 2.403 2.487 . 0 0 "[ . 1]" 1
649 1 54 LEU HB3 1 54 LEU QD . . 2.840 2.103 2.095 2.110 . 0 0 "[ . 1]" 1
650 1 54 LEU HB3 1 54 LEU MD2 . . 3.330 2.296 2.266 2.334 . 0 0 "[ . 1]" 1
651 1 54 LEU HB3 1 55 GLN H . . 3.490 3.157 2.849 3.284 . 0 0 "[ . 1]" 1
652 1 54 LEU HB3 1 56 VAL MG2 . . 3.740 2.941 2.644 3.224 . 0 0 "[ . 1]" 1
653 1 54 LEU QD 1 55 GLN H . . 3.980 3.838 3.630 3.967 . 0 0 "[ . 1]" 1
654 1 54 LEU QD 1 56 VAL MG2 . . 4.180 3.132 2.823 3.352 . 0 0 "[ . 1]" 1
655 1 54 LEU QD 1 66 LEU H . . 5.070 4.489 4.356 4.587 . 0 0 "[ . 1]" 1
656 1 54 LEU QD 1 66 LEU HG . . 4.970 4.448 4.096 4.633 . 0 0 "[ . 1]" 1
657 1 54 LEU QD 1 68 ALA H . . 3.920 3.815 3.579 3.944 0.024 5 0 "[ . 1]" 1
658 1 54 LEU QD 1 68 ALA HA . . 3.410 2.752 2.441 2.920 . 0 0 "[ . 1]" 1
659 1 54 LEU QD 1 68 ALA MB . . 2.970 2.315 2.107 2.606 . 0 0 "[ . 1]" 1
660 1 54 LEU QD 1 71 ALA H . . 5.240 5.006 4.689 5.257 0.017 8 0 "[ . 1]" 1
661 1 54 LEU QD 1 71 ALA MB . . 3.850 2.802 2.288 3.249 . 0 0 "[ . 1]" 1
662 1 54 LEU QD 1 73 LEU H . . 5.240 4.369 3.943 4.594 . 0 0 "[ . 1]" 1
663 1 54 LEU QD 1 73 LEU HB2 . . 4.660 3.620 3.301 3.827 . 0 0 "[ . 1]" 1
664 1 54 LEU QD 1 73 LEU HB3 . . 5.440 4.661 4.398 4.962 . 0 0 "[ . 1]" 1
665 1 54 LEU QD 1 73 LEU QD . . 4.590 2.708 2.302 2.983 . 0 0 "[ . 1]" 1
666 1 54 LEU MD1 1 68 ALA H . . 4.930 4.241 4.008 4.435 . 0 0 "[ . 1]" 1
667 1 54 LEU MD1 1 68 ALA HA . . 4.700 2.796 2.471 2.973 . 0 0 "[ . 1]" 1
668 1 54 LEU MD1 1 68 ALA MB . . 3.510 2.653 2.363 2.969 . 0 0 "[ . 1]" 1
669 1 54 LEU MD2 1 68 ALA H . . 4.930 4.331 4.027 4.557 . 0 0 "[ . 1]" 1
670 1 54 LEU MD2 1 68 ALA HA . . 4.700 4.116 3.787 4.524 . 0 0 "[ . 1]" 1
671 1 54 LEU MD2 1 68 ALA MB . . 3.510 2.568 2.283 2.886 . 0 0 "[ . 1]" 1
672 1 55 GLN H 1 55 GLN QB . . 3.100 2.329 2.247 2.476 . 0 0 "[ . 1]" 1
673 1 55 GLN H 1 55 GLN QG . . 4.510 3.672 3.145 4.090 . 0 0 "[ . 1]" 1
674 1 55 GLN H 1 56 VAL H . . 4.230 4.142 3.972 4.236 0.006 6 0 "[ . 1]" 1
675 1 55 GLN H 1 56 VAL MG2 . . 4.160 3.993 3.706 4.178 0.018 10 0 "[ . 1]" 1
676 1 55 GLN HA 1 55 GLN QG . . 3.470 2.247 2.149 2.354 . 0 0 "[ . 1]" 1
677 1 55 GLN HA 1 56 VAL H . . 2.700 2.091 2.049 2.167 . 0 0 "[ . 1]" 1
678 1 55 GLN HA 1 56 VAL MG2 . . 4.210 3.523 3.470 3.621 . 0 0 "[ . 1]" 1
679 1 55 GLN HA 1 63 ILE MG . . 4.450 3.331 3.071 3.684 . 0 0 "[ . 1]" 1
680 1 55 GLN HA 1 64 LYS H . . 4.690 4.109 3.812 4.528 . 0 0 "[ . 1]" 1
681 1 55 GLN HA 1 64 LYS HB3 . . 5.500 5.562 5.441 5.615 0.115 6 0 "[ . 1]" 1
682 1 55 GLN HA 1 65 TRP HA . . 3.350 2.621 2.457 2.782 . 0 0 "[ . 1]" 1
683 1 55 GLN HA 1 66 LEU H . . 3.780 3.531 3.380 3.597 . 0 0 "[ . 1]" 1
684 1 55 GLN HA 1 66 LEU QB . . 5.500 4.899 4.732 5.061 . 0 0 "[ . 1]" 1
685 1 55 GLN QB 1 63 ILE MG . . 3.720 2.495 2.003 3.567 . 0 0 "[ . 1]" 1
686 1 55 GLN QG 1 56 VAL H . . 3.800 3.798 3.380 3.954 0.154 9 0 "[ . 1]" 1
687 1 55 GLN QG 1 63 ILE MD . . 4.830 4.392 3.382 4.859 0.029 7 0 "[ . 1]" 1
688 1 55 GLN QG 1 63 ILE MG . . 3.110 2.521 1.770 2.887 . 0 0 "[ . 1]" 1
689 1 55 GLN QG 1 64 LYS H . . 4.630 4.502 3.719 4.701 0.071 4 0 "[ . 1]" 1
690 1 55 GLN QG 1 65 TRP H . . 5.010 4.602 4.350 5.026 0.016 3 0 "[ . 1]" 1
691 1 55 GLN QG 1 65 TRP HA . . 4.560 3.097 2.771 3.698 . 0 0 "[ . 1]" 1
692 1 55 GLN QG 1 66 LEU H . . 5.340 4.668 4.201 5.275 . 0 0 "[ . 1]" 1
693 1 56 VAL H 1 56 VAL HB . . 3.110 2.625 2.590 2.665 . 0 0 "[ . 1]" 1
694 1 56 VAL H 1 56 VAL MG1 . . 4.050 3.832 3.815 3.841 . 0 0 "[ . 1]" 1
695 1 56 VAL H 1 56 VAL MG2 . . 2.970 2.349 2.263 2.457 . 0 0 "[ . 1]" 1
696 1 56 VAL H 1 57 ALA H . . 5.140 4.394 4.378 4.470 . 0 0 "[ . 1]" 1
697 1 56 VAL H 1 63 ILE HA . . 5.500 4.358 4.124 4.701 . 0 0 "[ . 1]" 1
698 1 56 VAL H 1 64 LYS H . . 3.720 2.903 2.704 3.211 . 0 0 "[ . 1]" 1
699 1 56 VAL H 1 64 LYS HA . . 5.500 4.798 4.666 4.994 . 0 0 "[ . 1]" 1
700 1 56 VAL H 1 64 LYS HB2 . . 4.980 3.903 3.710 4.238 . 0 0 "[ . 1]" 1
701 1 56 VAL H 1 64 LYS HB3 . . 5.120 4.774 4.651 4.834 . 0 0 "[ . 1]" 1
702 1 56 VAL H 1 65 TRP HA . . 4.330 3.697 3.466 3.864 . 0 0 "[ . 1]" 1
703 1 56 VAL H 1 66 LEU H . . 4.780 4.072 3.970 4.259 . 0 0 "[ . 1]" 1
704 1 56 VAL HA 1 56 VAL MG1 . . 3.170 2.333 2.305 2.362 . 0 0 "[ . 1]" 1
705 1 56 VAL HA 1 56 VAL MG2 . . 3.030 2.472 2.437 2.506 . 0 0 "[ . 1]" 1
706 1 56 VAL HA 1 57 ALA H . . 2.640 2.134 2.121 2.152 . 0 0 "[ . 1]" 1
707 1 56 VAL HA 1 57 ALA HA . . 4.750 4.383 4.373 4.396 . 0 0 "[ . 1]" 1
708 1 56 VAL HA 1 57 ALA MB . . 4.080 3.993 3.954 4.008 . 0 0 "[ . 1]" 1
709 1 56 VAL HB 1 57 ALA H . . 4.380 4.145 4.032 4.183 . 0 0 "[ . 1]" 1
710 1 56 VAL HB 1 58 PHE QD . . 4.180 3.524 3.322 3.759 . 0 0 "[ . 1]" 1
711 1 56 VAL HB 1 58 PHE QE . . 3.640 2.456 2.214 2.715 . 0 0 "[ . 1]" 1
712 1 56 VAL HB 1 58 PHE HZ . . 4.380 3.450 3.155 3.724 . 0 0 "[ . 1]" 1
713 1 56 VAL HB 1 64 LYS H . . 4.300 3.579 3.470 3.801 . 0 0 "[ . 1]" 1
714 1 56 VAL HB 1 66 LEU QD . . 3.710 2.474 2.308 2.686 . 0 0 "[ . 1]" 1
715 1 56 VAL HB 1 66 LEU HG . . 4.530 4.335 4.191 4.533 0.003 4 0 "[ . 1]" 1
716 1 56 VAL MG1 1 57 ALA H . . 3.020 2.742 2.513 2.796 . 0 0 "[ . 1]" 1
717 1 56 VAL MG1 1 57 ALA HA . . 4.810 3.988 3.842 4.052 . 0 0 "[ . 1]" 1
718 1 56 VAL MG1 1 57 ALA MB . . 4.080 3.916 3.812 3.958 . 0 0 "[ . 1]" 1
719 1 56 VAL MG1 1 58 PHE H . . 4.210 3.578 3.475 3.775 . 0 0 "[ . 1]" 1
720 1 56 VAL MG1 1 58 PHE HA . . 4.310 3.425 3.237 3.713 . 0 0 "[ . 1]" 1
721 1 56 VAL MG1 1 58 PHE QE . . 3.560 3.074 2.851 3.191 . 0 0 "[ . 1]" 1
722 1 56 VAL MG1 1 58 PHE HZ . . 3.830 3.164 2.963 3.346 . 0 0 "[ . 1]" 1
723 1 56 VAL MG1 1 64 LYS H . . 5.170 4.451 4.276 4.578 . 0 0 "[ . 1]" 1
724 1 56 VAL MG1 1 66 LEU QB . . 5.200 4.999 4.822 5.211 0.011 5 0 "[ . 1]" 1
725 1 56 VAL MG1 1 73 LEU QD . . 4.790 3.595 3.374 3.790 . 0 0 "[ . 1]" 1
726 1 56 VAL MG1 1 73 LEU HG . . 4.950 3.999 3.721 4.187 . 0 0 "[ . 1]" 1
727 1 56 VAL MG2 1 57 ALA H . . 4.970 4.140 4.051 4.195 . 0 0 "[ . 1]" 1
728 1 56 VAL MG2 1 58 PHE QE . . 4.090 3.539 3.312 3.725 . 0 0 "[ . 1]" 1
729 1 56 VAL MG2 1 58 PHE HZ . . 4.250 3.505 3.210 3.796 . 0 0 "[ . 1]" 1
730 1 56 VAL MG2 1 65 TRP HA . . 5.110 4.511 4.328 4.751 . 0 0 "[ . 1]" 1
731 1 56 VAL MG2 1 66 LEU H . . 4.620 3.729 3.494 4.121 . 0 0 "[ . 1]" 1
732 1 56 VAL MG2 1 66 LEU QB . . 3.720 2.825 2.660 3.036 . 0 0 "[ . 1]" 1
733 1 56 VAL MG2 1 66 LEU QD . . 4.120 2.092 1.941 2.377 . 0 0 "[ . 1]" 1
734 1 56 VAL MG2 1 66 LEU HG . . 3.150 3.191 3.156 3.216 0.066 3 0 "[ . 1]" 1
735 1 56 VAL MG2 1 73 LEU HG . . 3.650 3.142 2.902 3.330 . 0 0 "[ . 1]" 1
736 1 57 ALA H 1 57 ALA MB . . 2.730 2.283 2.269 2.310 . 0 0 "[ . 1]" 1
737 1 57 ALA H 1 63 ILE HA . . 4.740 4.181 3.944 4.385 . 0 0 "[ . 1]" 1
738 1 57 ALA HA 1 58 PHE H . . 2.580 2.214 2.191 2.238 . 0 0 "[ . 1]" 1
739 1 57 ALA HA 1 58 PHE HB2 . . 4.750 4.540 4.451 4.602 . 0 0 "[ . 1]" 1
740 1 57 ALA HA 1 63 ILE HA . . 3.200 1.995 1.942 2.120 . 0 0 "[ . 1]" 1
741 1 57 ALA HA 1 63 ILE MD . . 4.190 4.075 3.804 4.222 0.032 5 0 "[ . 1]" 1
742 1 57 ALA HA 1 63 ILE HG12 . . 4.350 2.434 2.116 2.605 . 0 0 "[ . 1]" 1
743 1 57 ALA HA 1 63 ILE QG . . 3.520 2.378 2.091 2.531 . 0 0 "[ . 1]" 1
744 1 57 ALA HA 1 63 ILE HG13 . . 4.350 3.389 3.143 3.642 . 0 0 "[ . 1]" 1
745 1 57 ALA HA 1 63 ILE MG . . 3.530 3.279 2.673 3.553 0.023 7 0 "[ . 1]" 1
746 1 57 ALA HA 1 64 LYS H . . 3.960 3.635 3.464 3.841 . 0 0 "[ . 1]" 1
747 1 57 ALA MB 1 58 PHE H . . 3.610 3.538 3.494 3.560 . 0 0 "[ . 1]" 1
748 1 57 ALA MB 1 63 ILE H . . 4.740 4.502 4.147 4.768 0.028 3 0 "[ . 1]" 1
749 1 57 ALA MB 1 63 ILE HA . . 3.680 3.470 3.356 3.677 . 0 0 "[ . 1]" 1
750 1 57 ALA MB 1 63 ILE HB . . 5.170 4.741 4.573 4.885 . 0 0 "[ . 1]" 1
751 1 57 ALA MB 1 63 ILE MD . . 3.240 3.065 2.762 3.248 0.008 8 0 "[ . 1]" 1
752 1 57 ALA MB 1 63 ILE HG12 . . 3.750 2.162 2.045 2.352 . 0 0 "[ . 1]" 1
753 1 57 ALA MB 1 63 ILE QG . . 3.020 2.132 2.016 2.319 . 0 0 "[ . 1]" 1
754 1 57 ALA MB 1 63 ILE HG13 . . 3.750 3.257 3.032 3.535 . 0 0 "[ . 1]" 1
755 1 58 PHE H 1 58 PHE HB2 . . 3.020 2.366 2.309 2.405 . 0 0 "[ . 1]" 1
756 1 58 PHE H 1 58 PHE HB3 . . 3.800 3.588 3.558 3.605 . 0 0 "[ . 1]" 1
757 1 58 PHE H 1 58 PHE QD . . 3.260 2.524 2.403 2.688 . 0 0 "[ . 1]" 1
758 1 58 PHE H 1 62 GLY H . . 5.090 3.467 3.145 4.301 . 0 0 "[ . 1]" 1
759 1 58 PHE H 1 63 ILE HA . . 3.280 2.950 2.709 3.147 . 0 0 "[ . 1]" 1
760 1 58 PHE H 1 63 ILE QG . . 4.500 4.170 3.857 4.386 . 0 0 "[ . 1]" 1
761 1 58 PHE H 1 63 ILE MG . . 4.980 4.691 4.231 4.941 . 0 0 "[ . 1]" 1
762 1 58 PHE H 1 64 LYS H . . 4.320 3.818 3.611 4.035 . 0 0 "[ . 1]" 1
763 1 58 PHE H 1 64 LYS QE . . 4.710 4.658 3.817 4.799 0.089 1 0 "[ . 1]" 1
764 1 58 PHE HA 1 58 PHE QD . . 3.500 2.806 2.623 2.949 . 0 0 "[ . 1]" 1
765 1 58 PHE HB2 1 61 GLN QB . . 3.960 2.765 2.138 3.346 . 0 0 "[ . 1]" 1
766 1 58 PHE HB2 1 62 GLY H . . 4.220 2.515 2.092 3.745 . 0 0 "[ . 1]" 1
767 1 58 PHE HB2 1 64 LYS QE . . 4.060 3.358 3.169 3.452 . 0 0 "[ . 1]" 1
768 1 58 PHE HB3 1 59 GLN H . . 4.680 3.187 2.689 3.482 . 0 0 "[ . 1]" 1
769 1 58 PHE HB3 1 61 GLN H . . 4.940 3.275 2.712 3.503 . 0 0 "[ . 1]" 1
770 1 58 PHE HB3 1 61 GLN QB . . 4.540 3.350 2.271 3.908 . 0 0 "[ . 1]" 1
771 1 58 PHE HB3 1 62 GLY H . . 4.590 3.714 3.397 4.596 0.006 3 0 "[ . 1]" 1
772 1 58 PHE HB3 1 64 LYS QE . . 4.450 4.423 4.129 4.548 0.098 10 0 "[ . 1]" 1
773 1 58 PHE QD 1 64 LYS H . . 4.330 3.267 2.715 3.769 . 0 0 "[ . 1]" 1
774 1 58 PHE QD 1 64 LYS HB3 . . 4.430 4.311 4.180 4.461 0.031 4 0 "[ . 1]" 1
775 1 58 PHE QD 1 64 LYS QD . . 3.840 2.296 1.864 2.747 . 0 0 "[ . 1]" 1
776 1 58 PHE QD 1 64 LYS QG . . 4.620 3.095 2.511 4.098 . 0 0 "[ . 1]" 1
777 1 58 PHE QE 1 64 LYS H . . 4.660 3.777 3.396 4.108 . 0 0 "[ . 1]" 1
778 1 58 PHE QE 1 64 LYS HB2 . . 4.170 2.077 1.963 2.222 . 0 0 "[ . 1]" 1
779 1 58 PHE QE 1 64 LYS HB3 . . 3.720 3.412 3.262 3.555 . 0 0 "[ . 1]" 1
780 1 58 PHE QE 1 64 LYS QD . . 4.760 2.725 2.359 3.168 . 0 0 "[ . 1]" 1
781 1 58 PHE QE 1 64 LYS QG . . 4.850 3.747 3.615 3.938 . 0 0 "[ . 1]" 1
782 1 58 PHE QE 1 66 LEU QD . . 3.430 1.975 1.854 2.080 . 0 0 "[ . 1]" 1
783 1 58 PHE QE 1 66 LEU HG . . 4.290 3.856 3.621 4.113 . 0 0 "[ . 1]" 1
784 1 58 PHE QE 1 73 LEU QD . . 4.120 3.341 2.770 3.776 . 0 0 "[ . 1]" 1
785 1 58 PHE QE 1 73 LEU HG . . 5.500 5.133 4.515 5.459 . 0 0 "[ . 1]" 1
786 1 58 PHE HZ 1 66 LEU QD . . 4.180 2.818 2.450 3.133 . 0 0 "[ . 1]" 1
787 1 58 PHE HZ 1 66 LEU HG . . 3.730 3.322 3.018 3.684 . 0 0 "[ . 1]" 1
788 1 58 PHE HZ 1 73 LEU QD . . 3.880 2.947 2.638 3.224 . 0 0 "[ . 1]" 1
789 1 59 GLN HA 1 59 GLN QG . . 3.600 2.891 2.398 3.338 . 0 0 "[ . 1]" 1
790 1 61 GLN HA 1 61 GLN HG2 . . 4.010 3.079 2.521 3.757 . 0 0 "[ . 1]" 1
791 1 61 GLN HA 1 61 GLN QG . . 3.330 2.526 2.299 2.953 . 0 0 "[ . 1]" 1
792 1 61 GLN HA 1 61 GLN HG3 . . 4.010 2.837 2.328 3.735 . 0 0 "[ . 1]" 1
793 1 61 GLN QB 1 62 GLY H . . 3.940 2.288 1.857 3.586 . 0 0 "[ . 1]" 1
794 1 61 GLN QB 1 62 GLY QA . . 5.110 3.796 3.493 4.206 . 0 0 "[ . 1]" 1
795 1 61 GLN HB2 1 62 GLY H . . 4.660 3.056 1.919 4.091 . 0 0 "[ . 1]" 1
796 1 61 GLN HB3 1 62 GLY H . . 4.660 2.701 1.864 4.327 . 0 0 "[ . 1]" 1
797 1 62 GLY H 1 63 ILE H . . 4.680 4.388 4.267 4.593 . 0 0 "[ . 1]" 1
798 1 62 GLY H 1 64 LYS QE . . 4.830 3.494 2.662 4.453 . 0 0 "[ . 1]" 1
799 1 62 GLY QA 1 63 ILE H . . 2.560 2.235 2.204 2.278 . 0 0 "[ . 1]" 1
800 1 62 GLY QA 1 63 ILE HB . . 5.340 4.454 4.415 4.525 . 0 0 "[ . 1]" 1
801 1 62 GLY HA2 1 63 ILE H . . 2.950 2.778 2.711 2.875 . 0 0 "[ . 1]" 1
802 1 62 GLY HA3 1 63 ILE H . . 2.950 2.361 2.296 2.447 . 0 0 "[ . 1]" 1
803 1 63 ILE H 1 63 ILE HB . . 2.870 2.537 2.507 2.600 . 0 0 "[ . 1]" 1
804 1 63 ILE H 1 63 ILE MD . . 4.750 3.665 3.630 3.749 . 0 0 "[ . 1]" 1
805 1 63 ILE H 1 63 ILE QG . . 3.470 2.215 2.172 2.269 . 0 0 "[ . 1]" 1
806 1 63 ILE H 1 63 ILE MG . . 3.770 3.783 3.769 3.804 0.034 3 0 "[ . 1]" 1
807 1 63 ILE H 1 64 LYS H . . 4.600 4.497 4.399 4.586 . 0 0 "[ . 1]" 1
808 1 63 ILE HA 1 63 ILE MD . . 4.040 3.837 3.817 3.861 . 0 0 "[ . 1]" 1
809 1 63 ILE HA 1 63 ILE QG . . 3.450 2.434 2.408 2.483 . 0 0 "[ . 1]" 1
810 1 63 ILE HA 1 63 ILE MG . . 3.110 2.370 2.308 2.394 . 0 0 "[ . 1]" 1
811 1 63 ILE HA 1 64 LYS H . . 2.580 2.147 2.122 2.212 . 0 0 "[ . 1]" 1
812 1 63 ILE HB 1 63 ILE MD . . 3.680 2.438 2.428 2.451 . 0 0 "[ . 1]" 1
813 1 63 ILE MD 1 63 ILE MG . . 2.830 1.916 1.891 1.946 . 0 0 "[ . 1]" 1
814 1 63 ILE MG 1 64 LYS H . . 3.130 2.643 2.349 2.912 . 0 0 "[ . 1]" 1
815 1 63 ILE MG 1 65 TRP H . . 5.500 4.789 4.646 4.984 . 0 0 "[ . 1]" 1
816 1 63 ILE MG 1 65 TRP HA . . 4.790 4.583 4.426 4.772 . 0 0 "[ . 1]" 1
817 1 64 LYS H 1 64 LYS HB2 . . 3.550 2.566 2.402 2.666 . 0 0 "[ . 1]" 1
818 1 64 LYS H 1 64 LYS HB3 . . 3.880 3.715 3.578 3.782 . 0 0 "[ . 1]" 1
819 1 64 LYS H 1 64 LYS QD . . 4.570 3.916 2.830 4.420 . 0 0 "[ . 1]" 1
820 1 64 LYS H 1 64 LYS QG . . 4.320 3.342 2.900 3.913 . 0 0 "[ . 1]" 1
821 1 64 LYS HA 1 65 TRP H . . 2.930 2.352 2.306 2.418 . 0 0 "[ . 1]" 1
822 1 64 LYS HA 1 66 LEU QD . . 4.600 4.055 3.963 4.277 . 0 0 "[ . 1]" 1
823 1 64 LYS HB2 1 65 TRP H . . 4.140 3.739 3.537 3.810 . 0 0 "[ . 1]" 1
824 1 64 LYS HB2 1 66 LEU QD . . 3.310 2.442 2.314 2.666 . 0 0 "[ . 1]" 1
825 1 64 LYS HB3 1 65 TRP H . . 3.690 2.443 2.248 2.542 . 0 0 "[ . 1]" 1
826 1 64 LYS HB3 1 65 TRP HE1 . . 5.500 5.436 5.169 5.594 0.094 4 0 "[ . 1]" 1
827 1 64 LYS HB3 1 66 LEU QD . . 3.150 2.511 2.349 2.843 . 0 0 "[ . 1]" 1
828 1 64 LYS QE 1 64 LYS QG . . 3.280 2.311 2.122 2.585 . 0 0 "[ . 1]" 1
829 1 64 LYS QE 1 66 LEU QD . . 4.780 4.653 4.339 4.856 0.076 6 0 "[ . 1]" 1
830 1 64 LYS QG 1 65 TRP H . . 3.960 3.601 3.281 3.728 . 0 0 "[ . 1]" 1
831 1 64 LYS QG 1 65 TRP HE1 . . 5.340 5.309 4.968 5.434 0.094 9 0 "[ . 1]" 1
832 1 64 LYS QG 1 66 LEU QD . . 4.400 3.720 3.337 4.063 . 0 0 "[ . 1]" 1
833 1 65 TRP H 1 65 TRP QB . . 2.900 2.831 2.769 2.910 0.010 3 0 "[ . 1]" 1
834 1 65 TRP H 1 65 TRP HD1 . . 4.000 2.027 1.841 2.301 . 0 0 "[ . 1]" 1
835 1 65 TRP H 1 66 LEU H . . 4.660 4.339 4.273 4.456 . 0 0 "[ . 1]" 1
836 1 65 TRP HA 1 65 TRP HE3 . . 4.600 4.570 4.405 4.622 0.022 10 0 "[ . 1]" 1
837 1 65 TRP HA 1 66 LEU H . . 2.730 2.140 2.122 2.182 . 0 0 "[ . 1]" 1
838 1 65 TRP HA 1 66 LEU QB . . 4.760 4.308 4.266 4.353 . 0 0 "[ . 1]" 1
839 1 65 TRP HA 1 66 LEU QD . . 5.080 3.089 2.912 3.254 . 0 0 "[ . 1]" 1
840 1 65 TRP QB 1 65 TRP HD1 . . 3.270 2.750 2.662 2.833 . 0 0 "[ . 1]" 1
841 1 65 TRP QB 1 66 LEU H . . 3.550 3.333 3.161 3.447 . 0 0 "[ . 1]" 1
842 1 65 TRP HB2 1 66 LEU H . . 4.320 3.475 3.270 3.622 . 0 0 "[ . 1]" 1
843 1 65 TRP HB3 1 66 LEU H . . 4.320 4.288 4.191 4.329 0.009 4 0 "[ . 1]" 1
844 1 65 TRP HE1 1 66 LEU QD . . 5.500 5.555 5.524 5.608 0.108 4 0 "[ . 1]" 1
845 1 65 TRP HE3 1 66 LEU H . . 4.920 4.660 4.078 4.948 0.028 7 0 "[ . 1]" 1
846 1 66 LEU H 1 66 LEU QB . . 3.010 2.489 2.426 2.587 . 0 0 "[ . 1]" 1
847 1 66 LEU H 1 66 LEU QD . . 3.580 2.552 2.435 2.708 . 0 0 "[ . 1]" 1
848 1 66 LEU H 1 66 LEU HG . . 4.640 4.464 4.380 4.601 . 0 0 "[ . 1]" 1
849 1 66 LEU H 1 67 VAL H . . 4.860 4.196 4.063 4.282 . 0 0 "[ . 1]" 1
850 1 66 LEU HA 1 66 LEU QD . . 2.910 1.939 1.924 1.980 . 0 0 "[ . 1]" 1
851 1 66 LEU HA 1 67 VAL H . . 3.030 2.164 2.140 2.182 . 0 0 "[ . 1]" 1
852 1 66 LEU HA 1 67 VAL QG . . 3.970 3.662 3.587 3.744 . 0 0 "[ . 1]" 1
853 1 66 LEU QB 1 66 LEU QD . . 2.830 2.064 2.061 2.069 . 0 0 "[ . 1]" 1
854 1 66 LEU QB 1 67 VAL H . . 3.580 3.456 3.264 3.533 . 0 0 "[ . 1]" 1
855 1 66 LEU QB 1 67 VAL HA . . 5.500 4.554 4.430 4.603 . 0 0 "[ . 1]" 1
856 1 66 LEU QD 1 71 ALA HA . . 4.250 3.380 2.909 4.080 . 0 0 "[ . 1]" 1
857 1 66 LEU QD 1 71 ALA MB . . 3.550 3.131 2.716 3.566 0.016 4 0 "[ . 1]" 1
858 1 66 LEU HG 1 71 ALA HA . . 5.310 4.691 3.879 5.281 . 0 0 "[ . 1]" 1
859 1 66 LEU HG 1 73 LEU HG . . 4.230 4.169 3.730 4.288 0.058 1 0 "[ . 1]" 1
860 1 67 VAL H 1 67 VAL HB . . 3.260 2.593 2.550 2.630 . 0 0 "[ . 1]" 1
861 1 67 VAL H 1 67 VAL QG . . 3.100 2.027 1.977 2.123 . 0 0 "[ . 1]" 1
862 1 67 VAL H 1 68 ALA H . . 4.850 4.420 4.338 4.495 . 0 0 "[ . 1]" 1
863 1 67 VAL HA 1 67 VAL MG1 . . 3.390 2.374 2.349 2.410 . 0 0 "[ . 1]" 1
864 1 67 VAL HA 1 67 VAL QG . . 2.810 2.138 2.126 2.144 . 0 0 "[ . 1]" 1
865 1 67 VAL HA 1 67 VAL MG2 . . 3.390 2.428 2.403 2.450 . 0 0 "[ . 1]" 1
866 1 67 VAL HA 1 68 ALA H . . 2.450 2.139 2.114 2.156 . 0 0 "[ . 1]" 1
867 1 67 VAL HA 1 68 ALA MB . . 4.200 3.977 3.951 3.998 . 0 0 "[ . 1]" 1
868 1 67 VAL HA 1 69 ALA H . . 4.560 4.085 3.782 4.305 . 0 0 "[ . 1]" 1
869 1 67 VAL HB 1 68 ALA H . . 4.420 4.291 4.234 4.344 . 0 0 "[ . 1]" 1
870 1 67 VAL HB 1 69 ALA H . . 4.770 4.359 3.868 4.623 . 0 0 "[ . 1]" 1
871 1 67 VAL HB 1 70 TYR H . . 4.040 3.307 3.152 3.472 . 0 0 "[ . 1]" 1
872 1 67 VAL HB 1 70 TYR HB2 . . 4.430 2.852 2.384 3.429 . 0 0 "[ . 1]" 1
873 1 67 VAL HB 1 70 TYR QD . . 4.180 2.986 2.582 3.736 . 0 0 "[ . 1]" 1
874 1 67 VAL QG 1 68 ALA H . . 2.970 2.912 2.774 3.015 0.045 5 0 "[ . 1]" 1
875 1 67 VAL QG 1 68 ALA HA . . 4.700 4.366 4.260 4.428 . 0 0 "[ . 1]" 1
876 1 67 VAL QG 1 68 ALA MB . . 4.280 3.781 3.654 3.917 . 0 0 "[ . 1]" 1
877 1 67 VAL QG 1 69 ALA H . . 2.620 2.360 1.900 2.638 0.018 7 0 "[ . 1]" 1
878 1 67 VAL QG 1 70 TYR H . . 3.140 2.707 2.592 2.839 . 0 0 "[ . 1]" 1
879 1 67 VAL QG 1 70 TYR HB2 . . 4.260 3.321 2.989 3.628 . 0 0 "[ . 1]" 1
880 1 67 VAL QG 1 70 TYR QD . . 3.510 2.272 1.961 2.636 . 0 0 "[ . 1]" 1
881 1 67 VAL QG 1 71 ALA HA . . 5.440 5.229 4.911 5.428 . 0 0 "[ . 1]" 1
882 1 67 VAL QG 1 71 ALA MB . . 5.200 4.093 4.015 4.278 . 0 0 "[ . 1]" 1
883 1 67 VAL MG1 1 68 ALA H . . 4.300 2.974 2.821 3.091 . 0 0 "[ . 1]" 1
884 1 67 VAL MG1 1 70 TYR HB2 . . 5.390 3.481 3.087 3.887 . 0 0 "[ . 1]" 1
885 1 67 VAL MG1 1 70 TYR QD . . 4.320 2.292 1.969 2.658 . 0 0 "[ . 1]" 1
886 1 67 VAL MG2 1 68 ALA H . . 4.300 4.161 4.100 4.213 . 0 0 "[ . 1]" 1
887 1 67 VAL MG2 1 70 TYR HB2 . . 5.390 4.226 3.857 4.670 . 0 0 "[ . 1]" 1
888 1 67 VAL MG2 1 70 TYR QD . . 4.320 3.841 3.506 4.354 0.034 5 0 "[ . 1]" 1
889 1 68 ALA H 1 68 ALA MB . . 2.520 2.203 2.183 2.223 . 0 0 "[ . 1]" 1
890 1 68 ALA H 1 69 ALA H . . 3.420 2.884 2.715 3.084 . 0 0 "[ . 1]" 1
891 1 68 ALA HA 1 69 ALA MB . . 5.280 5.017 4.976 5.046 . 0 0 "[ . 1]" 1
892 1 68 ALA HA 1 71 ALA H . . 3.780 3.312 3.136 3.571 . 0 0 "[ . 1]" 1
893 1 68 ALA HA 1 71 ALA MB . . 3.290 2.131 1.930 2.493 . 0 0 "[ . 1]" 1
894 1 68 ALA MB 1 69 ALA H . . 2.960 2.615 2.452 2.880 . 0 0 "[ . 1]" 1
895 1 68 ALA MB 1 69 ALA HA . . 3.920 3.803 3.723 3.910 . 0 0 "[ . 1]" 1
896 1 68 ALA MB 1 69 ALA MB . . 4.030 3.741 3.588 3.901 . 0 0 "[ . 1]" 1
897 1 69 ALA H 1 69 ALA MB . . 2.820 2.230 2.219 2.244 . 0 0 "[ . 1]" 1
898 1 69 ALA H 1 70 TYR H . . 3.380 2.662 2.548 2.756 . 0 0 "[ . 1]" 1
899 1 69 ALA HA 1 71 ALA H . . 5.160 4.187 4.062 4.348 . 0 0 "[ . 1]" 1
900 1 69 ALA MB 1 70 TYR H . . 3.430 2.836 2.666 3.017 . 0 0 "[ . 1]" 1
901 1 69 ALA MB 1 70 TYR HB2 . . 5.500 4.224 3.981 4.344 . 0 0 "[ . 1]" 1
902 1 69 ALA MB 1 70 TYR QD . . 3.910 2.810 2.532 3.062 . 0 0 "[ . 1]" 1
903 1 69 ALA MB 1 70 TYR QE . . 3.850 3.140 2.898 3.491 . 0 0 "[ . 1]" 1
904 1 70 TYR H 1 70 TYR HB2 . . 3.250 2.626 2.430 2.835 . 0 0 "[ . 1]" 1
905 1 70 TYR H 1 70 TYR HB3 . . 3.950 3.763 3.649 3.868 . 0 0 "[ . 1]" 1
906 1 70 TYR H 1 71 ALA H . . 2.810 2.120 2.002 2.339 . 0 0 "[ . 1]" 1
907 1 70 TYR H 1 71 ALA MB . . 3.790 3.589 3.397 3.788 . 0 0 "[ . 1]" 1
908 1 70 TYR HA 1 70 TYR QD . . 3.580 2.818 2.719 3.083 . 0 0 "[ . 1]" 1
909 1 70 TYR HA 1 71 ALA H . . 3.500 3.162 2.890 3.405 . 0 0 "[ . 1]" 1
910 1 70 TYR HB2 1 71 ALA H . . 4.380 3.651 3.106 4.082 . 0 0 "[ . 1]" 1
911 1 70 TYR HB3 1 71 ALA H . . 4.700 4.295 3.943 4.507 . 0 0 "[ . 1]" 1
912 1 71 ALA H 1 71 ALA MB . . 2.530 2.257 2.224 2.312 . 0 0 "[ . 1]" 1
913 1 71 ALA H 1 72 ARG H . . 4.450 2.609 2.349 2.826 . 0 0 "[ . 1]" 1
914 1 71 ALA H 1 72 ARG HA . . 5.500 4.797 4.553 4.959 . 0 0 "[ . 1]" 1
915 1 71 ALA HA 1 73 LEU QD . . 4.420 3.259 3.014 3.418 . 0 0 "[ . 1]" 1
916 1 71 ALA MB 1 72 ARG H . . 4.240 2.193 2.037 2.296 . 0 0 "[ . 1]" 1
917 1 71 ALA MB 1 72 ARG HA . . 4.620 3.945 3.890 3.990 . 0 0 "[ . 1]" 1
918 1 71 ALA MB 1 72 ARG QB . . 4.600 4.310 4.152 4.421 . 0 0 "[ . 1]" 1
919 1 71 ALA MB 1 73 LEU H . . 3.570 3.444 3.157 3.603 0.033 8 0 "[ . 1]" 1
920 1 71 ALA MB 1 73 LEU HB2 . . 4.250 3.917 3.735 4.035 . 0 0 "[ . 1]" 1
921 1 71 ALA MB 1 73 LEU QD . . 3.340 1.790 1.758 1.812 . 0 0 "[ . 1]" 1
922 1 71 ALA MB 1 73 LEU HG . . 3.910 3.959 3.927 3.989 0.079 10 0 "[ . 1]" 1
923 1 72 ARG H 1 73 LEU H . . 4.210 3.095 2.978 3.186 . 0 0 "[ . 1]" 1
924 1 72 ARG HA 1 72 ARG QD . . 4.070 3.369 1.923 4.177 0.107 9 0 "[ . 1]" 1
925 1 72 ARG HA 1 73 LEU H . . 2.910 2.410 2.325 2.525 . 0 0 "[ . 1]" 1
926 1 73 LEU H 1 73 LEU HB2 . . 2.870 2.280 2.208 2.400 . 0 0 "[ . 1]" 1
927 1 73 LEU H 1 73 LEU HB3 . . 3.680 3.531 3.482 3.613 . 0 0 "[ . 1]" 1
928 1 73 LEU H 1 73 LEU QD . . 3.580 2.568 2.479 2.740 . 0 0 "[ . 1]" 1
929 1 73 LEU H 1 73 LEU HG . . 4.410 4.278 4.144 4.421 0.011 4 0 "[ . 1]" 1
930 1 73 LEU H 1 74 GLU H . . 4.830 4.499 4.364 4.576 . 0 0 "[ . 1]" 1
931 1 73 LEU HA 1 73 LEU QD . . 2.850 1.896 1.865 1.931 . 0 0 "[ . 1]" 1
932 1 73 LEU HA 1 74 GLU H . . 3.050 2.181 2.111 2.295 . 0 0 "[ . 1]" 1
933 1 73 LEU HA 1 74 GLU QB . . 4.690 4.042 3.997 4.081 . 0 0 "[ . 1]" 1
934 1 73 LEU HB3 1 73 LEU QD . . 3.070 2.334 2.292 2.399 . 0 0 "[ . 1]" 1
935 1 73 LEU HB3 1 74 GLU H . . 3.480 3.126 2.788 3.376 . 0 0 "[ . 1]" 1
936 1 73 LEU QD 1 74 GLU H . . 3.420 2.947 2.785 3.152 . 0 0 "[ . 1]" 1
937 1 73 LEU HG 1 74 GLU H . . 5.270 4.974 4.758 5.179 . 0 0 "[ . 1]" 1
938 1 74 GLU H 1 74 GLU QB . . 2.960 2.326 2.264 2.455 . 0 0 "[ . 1]" 1
939 1 74 GLU H 1 74 GLU QG . . 4.250 4.019 3.963 4.103 . 0 0 "[ . 1]" 1
940 1 74 GLU HA 1 75 SER H . . 2.980 2.195 2.147 2.299 . 0 0 "[ . 1]" 1
941 1 74 GLU QB 1 75 SER H . . 3.800 3.710 3.496 3.862 0.062 10 0 "[ . 1]" 1
942 1 74 GLU HB2 1 75 SER H . . 4.470 4.231 4.017 4.425 . 0 0 "[ . 1]" 1
943 1 74 GLU HB3 1 75 SER H . . 4.470 4.107 3.827 4.315 . 0 0 "[ . 1]" 1
944 1 74 GLU QG 1 75 SER H . . 4.780 2.760 2.378 3.116 . 0 0 "[ . 1]" 1
945 1 74 GLU QG 1 75 SER QB . . 4.720 4.195 3.939 4.669 . 0 0 "[ . 1]" 1
946 1 75 SER H 1 75 SER QB . . 3.340 2.476 2.263 2.765 . 0 0 "[ . 1]" 1
947 1 75 SER H 1 76 VAL H . . 4.730 4.518 4.434 4.586 . 0 0 "[ . 1]" 1
948 1 75 SER HA 1 76 VAL H . . 2.480 2.156 2.138 2.176 . 0 0 "[ . 1]" 1
949 1 75 SER HA 1 76 VAL QG . . 3.770 3.483 3.315 3.694 . 0 0 "[ . 1]" 1
950 1 75 SER QB 1 76 VAL H . . 3.700 3.429 3.057 3.745 0.045 5 0 "[ . 1]" 1
951 1 76 VAL H 1 76 VAL HB . . 3.050 2.786 2.575 3.108 0.058 3 0 "[ . 1]" 1
952 1 76 VAL H 1 76 VAL MG1 . . 3.920 3.256 1.960 3.799 . 0 0 "[ . 1]" 1
953 1 76 VAL H 1 76 VAL QG . . 2.840 1.985 1.868 2.137 . 0 0 "[ . 1]" 1
954 1 76 VAL H 1 76 VAL MG2 . . 3.920 2.533 1.873 3.890 . 0 0 "[ . 1]" 1
955 1 76 VAL HA 1 76 VAL MG1 . . 3.390 2.596 2.301 3.224 . 0 0 "[ . 1]" 1
956 1 76 VAL HA 1 76 VAL MG2 . . 3.390 2.461 2.366 2.556 . 0 0 "[ . 1]" 1
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