NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408127 |
1ysy   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ysy
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 937
_Distance_constraint_stats_list.Viol_count 2491
_Distance_constraint_stats_list.Viol_total 4146.000
_Distance_constraint_stats_list.Viol_max 0.962
_Distance_constraint_stats_list.Viol_rms 0.0445
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0832
_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 4 LYS 6.576 0.571 16 1 "[ . 1 .+ 2]"
1 5 MET 3.304 0.657 20 3 "[ . 1 * .- +]"
1 6 SER 2.542 0.753 18 1 "[ . 1 . + 2]"
1 7 ASP 6.427 0.825 18 3 "[ - 1 . *+ 2]"
1 8 VAL 8.451 0.825 18 4 "[ - 1 . *+ *]"
1 9 LYS 6.597 0.167 20 0 "[ . 1 . 2]"
1 10 CYS 2.258 0.367 19 0 "[ . 1 . 2]"
1 11 THR 2.786 0.652 14 2 "[ . 1 +. -2]"
1 12 SER 0.732 0.150 19 0 "[ . 1 . 2]"
1 13 VAL 4.608 0.903 14 2 "[ . 1 +. -2]"
1 14 VAL 1.615 0.903 14 1 "[ . 1 +. 2]"
1 15 LEU 7.957 0.377 5 0 "[ . 1 . 2]"
1 16 LEU 3.156 0.151 13 0 "[ . 1 . 2]"
1 17 SER 1.808 0.113 11 0 "[ . 1 . 2]"
1 18 VAL 3.041 0.107 10 0 "[ . 1 . 2]"
1 19 LEU 2.834 0.098 2 0 "[ . 1 . 2]"
1 20 GLN 8.828 0.488 17 0 "[ . 1 . 2]"
1 21 GLN 6.438 0.488 17 0 "[ . 1 . 2]"
1 22 LEU 1.145 0.136 20 0 "[ . 1 . 2]"
1 23 ARG 2.206 0.305 16 0 "[ . 1 . 2]"
1 24 VAL 5.141 0.308 5 0 "[ . 1 . 2]"
1 25 GLU 4.175 0.398 7 0 "[ . 1 . 2]"
1 29 LYS 8.783 0.962 12 8 "[ * - * 1 + *.** *2]"
1 30 LEU 1.767 0.083 20 0 "[ . 1 . 2]"
1 31 TRP 9.133 0.151 13 0 "[ . 1 . 2]"
1 32 ALA 3.252 0.142 6 0 "[ . 1 . 2]"
1 33 GLN 1.645 0.112 19 0 "[ . 1 . 2]"
1 34 CYS 2.434 0.108 15 0 "[ . 1 . 2]"
1 35 VAL 8.414 0.578 18 4 "[ . * .- +*2]"
1 36 GLN 1.171 0.075 1 0 "[ . 1 . 2]"
1 37 LEU 0.276 0.049 14 0 "[ . 1 . 2]"
1 38 HIS 11.795 0.595 10 1 "[ . + . 2]"
1 39 ASN 1.406 0.094 13 0 "[ . 1 . 2]"
1 40 ASP 1.984 0.111 19 0 "[ . 1 . 2]"
1 41 ILE 8.418 0.317 18 0 "[ . 1 . 2]"
1 42 LEU 3.695 0.160 13 0 "[ . 1 . 2]"
1 43 LEU 1.308 0.107 5 0 "[ . 1 . 2]"
1 44 ALA 9.650 0.118 16 0 "[ . 1 . 2]"
1 45 LYS 3.226 0.095 15 0 "[ . 1 . 2]"
1 46 ASP 4.508 0.106 4 0 "[ . 1 . 2]"
1 47 THR 1.061 0.080 1 0 "[ . 1 . 2]"
1 48 THR 3.693 0.098 2 0 "[ . 1 . 2]"
1 49 GLU 2.641 0.098 2 0 "[ . 1 . 2]"
1 50 ALA 6.336 0.114 7 0 "[ . 1 . 2]"
1 51 PHE 8.174 0.118 3 0 "[ . 1 . 2]"
1 52 GLU 5.833 0.119 19 0 "[ . 1 . 2]"
1 53 LYS 1.385 0.121 10 0 "[ . 1 . 2]"
1 54 MET 6.955 0.595 10 1 "[ . + . 2]"
1 55 VAL 4.622 0.119 19 0 "[ . 1 . 2]"
1 56 SER 2.292 0.111 12 0 "[ . 1 . 2]"
1 57 LEU 3.006 0.111 12 0 "[ . 1 . 2]"
1 58 LEU 4.035 0.109 8 0 "[ . 1 . 2]"
1 59 SER 3.577 0.100 19 0 "[ . 1 . 2]"
1 60 VAL 3.912 0.098 12 0 "[ . 1 . 2]"
1 61 LEU 3.781 0.130 20 0 "[ . 1 . 2]"
1 62 LEU 2.126 0.114 1 0 "[ . 1 . 2]"
1 63 SER 2.845 0.100 11 0 "[ . 1 . 2]"
1 64 MET 9.027 0.102 2 0 "[ . 1 . 2]"
1 65 GLN 6.204 0.897 12 3 "[ - . 1 + . *]"
1 66 GLY 1.252 0.101 5 0 "[ . 1 . 2]"
1 67 ALA 6.722 0.897 12 3 "[ - . 1 + . *]"
1 68 VAL 0.108 0.094 2 0 "[ . 1 . 2]"
1 69 ASP 2.801 0.090 8 0 "[ . 1 . 2]"
1 70 ILE 7.560 0.121 18 0 "[ . 1 . 2]"
1 71 ASN 1.980 0.121 18 0 "[ . 1 . 2]"
1 72 ARG 22.177 0.915 16 9 "[ * - ***1 * *.+ *2]"
1 73 LEU 3.091 0.915 16 1 "[ . 1 .+ 2]"
1 74 CYS 5.604 0.111 7 0 "[ . 1 . 2]"
1 75 GLU 3.471 0.110 8 0 "[ . 1 . 2]"
1 76 GLU 2.635 0.099 2 0 "[ . 1 . 2]"
1 77 MET 1.637 0.101 10 0 "[ . 1 . 2]"
1 78 LEU 5.216 0.101 10 0 "[ . 1 . 2]"
1 79 ASP 4.886 0.100 6 0 "[ . 1 . 2]"
1 80 ASN 6.441 0.117 14 0 "[ . 1 . 2]"
1 81 ARG 2.710 0.250 11 0 "[ . 1 . 2]"
1 82 ALA 2.346 0.089 6 0 "[ . 1 . 2]"
1 83 THR 6.132 0.117 14 0 "[ . 1 . 2]"
1 84 LEU 6.114 0.111 15 0 "[ . 1 . 2]"
1 85 GLN 4.088 0.118 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS HA 1 4 LYS HB2 . . 2.640 2.449 2.334 2.618 . 0 0 "[ . 1 . 2]" 1
2 1 4 LYS HB2 1 4 LYS QE . . 3.380 2.865 1.905 3.484 0.104 12 0 "[ . 1 . 2]" 1
3 1 4 LYS HB2 1 4 LYS QG . . 2.400 2.432 2.333 2.511 0.111 13 0 "[ . 1 . 2]" 1
4 1 4 LYS HB2 1 5 MET HA . . 5.500 4.759 3.912 5.967 0.467 16 0 "[ . 1 . 2]" 1
5 1 4 LYS HB2 1 5 MET QB . . 4.740 4.232 3.167 5.311 0.571 16 1 "[ . 1 .+ 2]" 1
6 1 4 LYS QD 1 4 LYS QE . . 2.400 2.043 1.967 2.130 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS QD 1 4 LYS QG . . 2.400 1.986 1.908 2.033 . 0 0 "[ . 1 . 2]" 1
8 1 4 LYS QD 1 5 MET QB . . 4.960 3.651 1.870 4.673 . 0 0 "[ . 1 . 2]" 1
9 1 4 LYS QD 1 40 ASP H . . 4.560 4.572 4.194 4.671 0.111 19 0 "[ . 1 . 2]" 1
10 1 4 LYS QD 1 40 ASP HA . . 4.170 2.249 1.833 2.704 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS QD 1 40 ASP QB . . 4.010 2.596 2.057 3.818 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS QE 1 4 LYS QG . . 2.400 2.357 2.121 2.535 0.135 4 0 "[ . 1 . 2]" 1
13 1 4 LYS QE 1 5 MET QB . . 4.410 3.325 2.022 4.005 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS QE 1 40 ASP HA . . 4.940 3.056 2.062 3.766 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS QE 1 41 ILE HA . . 5.110 4.263 3.793 5.030 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS QE 1 42 LEU HA . . 5.500 5.601 5.557 5.620 0.120 20 0 "[ . 1 . 2]" 1
17 1 4 LYS QE 1 43 LEU QD . . 3.550 3.019 1.921 3.487 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS QE 1 44 ALA H . . 5.400 4.493 3.818 5.415 0.015 17 0 "[ . 1 . 2]" 1
19 1 4 LYS QE 1 44 ALA HA . . 5.500 4.297 3.018 5.597 0.097 14 0 "[ . 1 . 2]" 1
20 1 4 LYS QG 1 5 MET QB . . 4.390 2.821 2.230 3.607 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS QG 1 40 ASP H . . 5.310 4.970 4.365 5.420 0.110 9 0 "[ . 1 . 2]" 1
22 1 4 LYS QG 1 40 ASP QB . . 4.280 3.232 2.218 3.989 . 0 0 "[ . 1 . 2]" 1
23 1 5 MET HA 1 5 MET HG3 . . 3.400 2.963 2.199 3.996 0.596 13 1 "[ . 1 + . 2]" 1
24 1 5 MET HA 1 8 VAL QG . . 5.370 3.191 2.044 4.423 . 0 0 "[ . 1 . 2]" 1
25 1 5 MET QB 1 8 VAL QG . . 3.780 3.181 2.048 3.641 . 0 0 "[ . 1 . 2]" 1
26 1 5 MET QB 1 40 ASP HA . . 3.490 3.351 3.064 3.508 0.018 7 0 "[ . 1 . 2]" 1
27 1 5 MET QB 1 42 LEU QD . . 3.920 3.471 2.855 3.777 . 0 0 "[ . 1 . 2]" 1
28 1 5 MET HG2 1 8 VAL QG . . 3.780 2.838 1.997 4.437 0.657 20 1 "[ . 1 . +]" 1
29 1 5 MET HG2 1 42 LEU QD . . 5.500 3.881 2.158 5.660 0.160 13 0 "[ . 1 . 2]" 1
30 1 5 MET HG2 1 43 LEU QD . . 5.500 4.133 2.136 5.196 . 0 0 "[ . 1 . 2]" 1
31 1 5 MET HG3 1 8 VAL QG . . 4.960 2.648 1.986 3.678 . 0 0 "[ . 1 . 2]" 1
32 1 6 SER HA 1 6 SER HB2 . . 2.470 2.513 2.358 2.558 0.088 18 0 "[ . 1 . 2]" 1
33 1 6 SER HA 1 6 SER HB3 . . 2.400 2.320 2.172 2.446 0.046 6 0 "[ . 1 . 2]" 1
34 1 6 SER HB2 1 7 ASP HB3 . . 5.230 4.371 3.159 5.983 0.753 18 1 "[ . 1 . + 2]" 1
35 1 7 ASP HA 1 7 ASP HB2 . . 2.960 2.428 2.141 2.677 . 0 0 "[ . 1 . 2]" 1
36 1 7 ASP HA 1 7 ASP HB3 . . 2.570 2.552 2.187 3.019 0.449 10 0 "[ . 1 . 2]" 1
37 1 7 ASP HA 1 8 VAL H . . 2.690 2.122 1.963 2.300 . 0 0 "[ . 1 . 2]" 1
38 1 7 ASP HA 1 8 VAL QG . . 3.960 3.247 2.525 3.885 . 0 0 "[ . 1 . 2]" 1
39 1 7 ASP HA 1 9 LYS H . . 5.130 3.543 3.080 5.208 0.078 8 0 "[ . 1 . 2]" 1
40 1 7 ASP HB2 1 8 VAL H . . 3.600 3.662 3.071 4.425 0.825 18 3 "[ - 1 . *+ 2]" 1
41 1 7 ASP HB3 1 8 VAL H . . 5.470 4.134 3.655 4.512 . 0 0 "[ . 1 . 2]" 1
42 1 8 VAL H 1 8 VAL HB . . 2.850 2.903 2.812 2.937 0.087 19 0 "[ . 1 . 2]" 1
43 1 8 VAL H 1 8 VAL QG . . 2.920 2.635 2.201 2.940 0.020 8 0 "[ . 1 . 2]" 1
44 1 8 VAL H 1 9 LYS H . . 4.480 1.967 1.552 3.644 . 0 0 "[ . 1 . 2]" 1
45 1 8 VAL H 1 9 LYS HA . . 4.280 3.915 3.560 4.342 0.062 17 0 "[ . 1 . 2]" 1
46 1 8 VAL H 1 9 LYS HG3 . . 5.500 5.582 5.571 5.589 0.089 11 0 "[ . 1 . 2]" 1
47 1 8 VAL HA 1 8 VAL QG . . 2.680 2.188 2.109 2.271 . 0 0 "[ . 1 . 2]" 1
48 1 8 VAL HA 1 9 LYS H . . 3.170 2.933 1.925 3.253 0.083 19 0 "[ . 1 . 2]" 1
49 1 8 VAL HA 1 9 LYS HG2 . . 3.690 3.717 3.238 3.782 0.092 5 0 "[ . 1 . 2]" 1
50 1 8 VAL HB 1 11 THR HA . . 4.990 4.255 3.295 5.070 0.080 5 0 "[ . 1 . 2]" 1
51 1 8 VAL HB 1 11 THR MG . . 5.480 3.715 2.153 5.432 . 0 0 "[ . 1 . 2]" 1
52 1 8 VAL QG 1 9 LYS H . . 3.870 3.610 3.158 3.688 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS H 1 9 LYS QB . . 3.350 3.304 2.255 3.440 0.090 4 0 "[ . 1 . 2]" 1
54 1 9 LYS H 1 9 LYS QD . . 4.490 4.110 3.525 4.567 0.077 10 0 "[ . 1 . 2]" 1
55 1 9 LYS H 1 9 LYS QE . . 5.340 3.986 2.862 4.863 . 0 0 "[ . 1 . 2]" 1
56 1 9 LYS H 1 9 LYS HG2 . . 4.000 2.624 2.244 2.811 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS H 1 9 LYS HG3 . . 4.200 3.989 3.284 4.263 0.063 19 0 "[ . 1 . 2]" 1
58 1 9 LYS HA 1 9 LYS QB . . 2.790 2.354 2.239 2.438 . 0 0 "[ . 1 . 2]" 1
59 1 9 LYS HA 1 9 LYS QD . . 3.100 2.621 2.114 3.182 0.082 10 0 "[ . 1 . 2]" 1
60 1 9 LYS HA 1 9 LYS QE . . 3.510 3.426 2.328 3.614 0.104 6 0 "[ . 1 . 2]" 1
61 1 9 LYS HA 1 9 LYS HG2 . . 3.120 2.659 2.362 3.175 0.055 19 0 "[ . 1 . 2]" 1
62 1 9 LYS QB 1 10 CYS HA . . 5.430 4.270 3.784 4.984 . 0 0 "[ . 1 . 2]" 1
63 1 9 LYS QD 1 9 LYS HG3 . . 2.400 2.293 2.140 2.466 0.066 20 0 "[ . 1 . 2]" 1
64 1 9 LYS QE 1 9 LYS HG2 . . 2.960 2.263 1.955 3.127 0.167 20 0 "[ . 1 . 2]" 1
65 1 10 CYS HA 1 11 THR HA . . 5.210 4.838 4.406 5.263 0.053 13 0 "[ . 1 . 2]" 1
66 1 10 CYS HA 1 11 THR MG . . 5.300 4.778 4.128 5.435 0.135 11 0 "[ . 1 . 2]" 1
67 1 10 CYS HA 1 12 SER H . . 4.890 4.655 3.984 4.969 0.079 15 0 "[ . 1 . 2]" 1
68 1 10 CYS HA 1 13 VAL H . . 4.780 3.747 3.238 4.240 . 0 0 "[ . 1 . 2]" 1
69 1 10 CYS HA 1 13 VAL HB . . 4.410 4.267 2.252 4.502 0.092 8 0 "[ . 1 . 2]" 1
70 1 10 CYS HA 1 13 VAL MG1 . . 3.950 2.623 1.923 3.896 . 0 0 "[ . 1 . 2]" 1
71 1 10 CYS HA 1 13 VAL MG2 . . 3.620 2.191 1.869 3.987 0.367 19 0 "[ . 1 . 2]" 1
72 1 10 CYS HA 1 14 VAL H . . 5.500 4.236 3.771 4.843 . 0 0 "[ . 1 . 2]" 1
73 1 10 CYS HA 1 14 VAL QG . . 5.500 3.820 3.287 4.353 . 0 0 "[ . 1 . 2]" 1
74 1 10 CYS QB 1 11 THR HA . . 5.500 4.351 3.821 4.957 . 0 0 "[ . 1 . 2]" 1
75 1 10 CYS QB 1 13 VAL MG1 . . 5.260 3.806 1.987 4.821 . 0 0 "[ . 1 . 2]" 1
76 1 10 CYS QB 1 14 VAL HB . . 5.460 4.719 3.373 5.276 . 0 0 "[ . 1 . 2]" 1
77 1 10 CYS QB 1 14 VAL QG . . 3.660 2.202 1.837 2.767 . 0 0 "[ . 1 . 2]" 1
78 1 11 THR HA 1 11 THR MG . . 3.520 2.706 2.083 3.300 . 0 0 "[ . 1 . 2]" 1
79 1 11 THR HA 1 13 VAL MG2 . . 5.500 4.954 4.093 6.152 0.652 14 2 "[ . 1 +. -2]" 1
80 1 11 THR HB 1 39 ASN QB . . 4.630 4.280 2.587 4.724 0.094 13 0 "[ . 1 . 2]" 1
81 1 11 THR MG 1 12 SER H . . 5.500 2.777 1.733 3.925 . 0 0 "[ . 1 . 2]" 1
82 1 11 THR MG 1 13 VAL H . . 5.500 4.736 3.899 5.409 . 0 0 "[ . 1 . 2]" 1
83 1 12 SER H 1 13 VAL MG1 . . 5.500 3.337 2.430 5.510 0.010 14 0 "[ . 1 . 2]" 1
84 1 12 SER HA 1 12 SER HB2 . . 2.840 2.607 2.384 2.990 0.150 19 0 "[ . 1 . 2]" 1
85 1 12 SER HA 1 12 SER HB3 . . 2.910 2.391 2.174 2.987 0.077 2 0 "[ . 1 . 2]" 1
86 1 13 VAL H 1 13 VAL MG1 . . 3.230 2.615 2.177 3.261 0.031 14 0 "[ . 1 . 2]" 1
87 1 13 VAL H 1 13 VAL MG2 . . 3.150 2.509 1.936 3.355 0.205 19 0 "[ . 1 . 2]" 1
88 1 13 VAL H 1 14 VAL H . . 4.910 2.190 1.883 2.729 . 0 0 "[ . 1 . 2]" 1
89 1 13 VAL H 1 14 VAL QG . . 5.500 3.162 2.590 3.842 . 0 0 "[ . 1 . 2]" 1
90 1 13 VAL HA 1 13 VAL HB . . 3.000 2.347 2.177 2.945 . 0 0 "[ . 1 . 2]" 1
91 1 13 VAL HA 1 13 VAL MG1 . . 2.800 2.543 2.269 3.186 0.386 19 0 "[ . 1 . 2]" 1
92 1 13 VAL HA 1 16 LEU HB2 . . 3.600 2.570 2.118 3.204 . 0 0 "[ . 1 . 2]" 1
93 1 13 VAL HA 1 16 LEU HB3 . . 4.570 3.745 2.950 4.543 . 0 0 "[ . 1 . 2]" 1
94 1 13 VAL MG1 1 14 VAL H . . 4.400 3.696 2.576 4.319 . 0 0 "[ . 1 . 2]" 1
95 1 13 VAL MG2 1 14 VAL H . . 3.350 2.314 1.710 4.253 0.903 14 1 "[ . 1 +. 2]" 1
96 1 13 VAL MG2 1 14 VAL HA . . 4.930 3.261 2.826 5.394 0.464 14 0 "[ . 1 . 2]" 1
97 1 14 VAL H 1 14 VAL HB . . 3.820 3.331 2.129 3.699 . 0 0 "[ . 1 . 2]" 1
98 1 14 VAL H 1 14 VAL QG . . 2.960 1.907 1.768 2.187 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL HA 1 14 VAL QG . . 2.900 2.227 2.116 2.599 . 0 0 "[ . 1 . 2]" 1
100 1 14 VAL HA 1 17 SER H . . 4.670 3.633 3.291 4.044 . 0 0 "[ . 1 . 2]" 1
101 1 14 VAL HA 1 17 SER QB . . 3.420 3.080 2.305 3.483 0.063 14 0 "[ . 1 . 2]" 1
102 1 14 VAL HB 1 15 LEU H . . 4.310 3.388 2.309 4.345 0.035 14 0 "[ . 1 . 2]" 1
103 1 14 VAL HB 1 15 LEU HA . . 5.130 4.515 3.746 5.012 . 0 0 "[ . 1 . 2]" 1
104 1 14 VAL QG 1 38 HIS HD2 . . 4.030 3.335 2.920 4.027 . 0 0 "[ . 1 . 2]" 1
105 1 14 VAL QG 1 38 HIS HE1 . . 5.500 4.298 3.198 5.251 . 0 0 "[ . 1 . 2]" 1
106 1 15 LEU H 1 15 LEU HB2 . . 3.860 2.462 2.257 3.030 . 0 0 "[ . 1 . 2]" 1
107 1 15 LEU H 1 15 LEU HG . . 5.150 4.495 4.338 4.618 . 0 0 "[ . 1 . 2]" 1
108 1 15 LEU H 1 16 LEU H . . 4.590 2.569 1.829 2.893 . 0 0 "[ . 1 . 2]" 1
109 1 15 LEU H 1 18 VAL HB . . 5.500 4.994 4.709 5.544 0.044 10 0 "[ . 1 . 2]" 1
110 1 15 LEU HA 1 15 LEU QD . . 3.920 2.219 1.991 2.905 . 0 0 "[ . 1 . 2]" 1
111 1 15 LEU HA 1 18 VAL HB . . 4.110 2.423 2.047 2.959 . 0 0 "[ . 1 . 2]" 1
112 1 15 LEU HA 1 18 VAL MG2 . . 5.410 3.368 2.157 3.928 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU HA 1 38 HIS HD2 . . 5.460 5.072 4.500 5.523 0.063 5 0 "[ . 1 . 2]" 1
114 1 15 LEU HB2 1 16 LEU H . . 3.960 4.015 3.929 4.040 0.080 5 0 "[ . 1 . 2]" 1
115 1 15 LEU HB2 1 17 SER H . . 5.500 5.489 5.241 5.587 0.087 8 0 "[ . 1 . 2]" 1
116 1 15 LEU HB2 1 38 HIS HD2 . . 3.840 2.846 2.430 3.266 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU HB3 1 16 LEU H . . 5.450 3.025 2.884 3.272 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU HB3 1 35 VAL HA . . 4.590 4.630 4.502 4.681 0.091 18 0 "[ . 1 . 2]" 1
119 1 15 LEU HB3 1 38 HIS HB2 . . 4.630 4.604 4.212 5.007 0.377 5 0 "[ . 1 . 2]" 1
120 1 15 LEU HB3 1 38 HIS HD2 . . 5.270 4.033 3.677 4.508 . 0 0 "[ . 1 . 2]" 1
121 1 15 LEU HB3 1 38 HIS HE1 . . 5.390 3.159 2.758 3.497 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU QD 1 16 LEU H . . 4.840 4.075 3.277 4.394 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU QD 1 17 SER H . . 5.500 4.778 4.392 5.114 . 0 0 "[ . 1 . 2]" 1
124 1 15 LEU QD 1 18 VAL H . . 5.080 3.806 3.470 4.212 . 0 0 "[ . 1 . 2]" 1
125 1 15 LEU QD 1 18 VAL HA . . 5.500 5.053 4.613 5.435 . 0 0 "[ . 1 . 2]" 1
126 1 15 LEU QD 1 18 VAL HB . . 3.550 2.855 2.141 3.576 0.026 11 0 "[ . 1 . 2]" 1
127 1 15 LEU QD 1 18 VAL MG1 . . 3.900 3.258 2.194 3.946 0.046 18 0 "[ . 1 . 2]" 1
128 1 15 LEU QD 1 19 LEU H . . 3.640 2.754 2.209 3.379 . 0 0 "[ . 1 . 2]" 1
129 1 15 LEU QD 1 20 GLN H . . 5.250 3.721 2.212 4.498 . 0 0 "[ . 1 . 2]" 1
130 1 15 LEU QD 1 35 VAL H . . 5.130 4.601 4.149 4.808 . 0 0 "[ . 1 . 2]" 1
131 1 15 LEU QD 1 35 VAL HA . . 3.350 2.544 2.317 2.665 . 0 0 "[ . 1 . 2]" 1
132 1 15 LEU QD 1 35 VAL HB . . 5.500 4.014 2.808 4.595 . 0 0 "[ . 1 . 2]" 1
133 1 15 LEU QD 1 36 GLN H . . 5.500 5.432 5.131 5.535 0.035 20 0 "[ . 1 . 2]" 1
134 1 15 LEU QD 1 38 HIS H . . 3.850 3.868 3.637 3.917 0.067 15 0 "[ . 1 . 2]" 1
135 1 15 LEU QD 1 38 HIS HA . . 4.470 3.885 3.801 4.096 . 0 0 "[ . 1 . 2]" 1
136 1 15 LEU QD 1 38 HIS HB2 . . 4.510 2.161 2.065 2.360 . 0 0 "[ . 1 . 2]" 1
137 1 15 LEU QD 1 38 HIS HB3 . . 4.580 2.189 2.025 2.286 . 0 0 "[ . 1 . 2]" 1
138 1 15 LEU QD 1 38 HIS HD2 . . 4.700 3.151 2.838 3.479 . 0 0 "[ . 1 . 2]" 1
139 1 15 LEU QD 1 38 HIS HE1 . . 5.500 3.856 3.401 4.185 . 0 0 "[ . 1 . 2]" 1
140 1 15 LEU QD 1 58 LEU QD . . 4.790 1.922 1.716 2.312 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU QD 1 58 LEU HG . . 5.500 3.124 1.958 4.116 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU HG 1 16 LEU H . . 5.430 4.457 4.111 5.096 . 0 0 "[ . 1 . 2]" 1
143 1 15 LEU HG 1 16 LEU HA . . 5.500 4.601 3.978 5.579 0.079 18 0 "[ . 1 . 2]" 1
144 1 15 LEU HG 1 18 VAL H . . 5.500 4.845 4.244 5.395 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU HG 1 35 VAL HA . . 5.370 4.892 4.471 5.447 0.077 11 0 "[ . 1 . 2]" 1
146 1 15 LEU HG 1 38 HIS HD2 . . 5.500 5.329 4.093 5.586 0.086 2 0 "[ . 1 . 2]" 1
147 1 15 LEU HG 1 38 HIS HE1 . . 5.500 5.524 5.234 5.594 0.094 13 0 "[ . 1 . 2]" 1
148 1 15 LEU HG 1 58 LEU QD . . 4.990 2.643 2.143 3.638 . 0 0 "[ . 1 . 2]" 1
149 1 16 LEU H 1 16 LEU HB2 . . 3.450 2.256 1.986 2.547 . 0 0 "[ . 1 . 2]" 1
150 1 16 LEU H 1 16 LEU HB3 . . 3.950 3.452 3.154 3.655 . 0 0 "[ . 1 . 2]" 1
151 1 16 LEU H 1 16 LEU QD . . 4.120 2.915 2.371 3.339 . 0 0 "[ . 1 . 2]" 1
152 1 16 LEU H 1 17 SER H . . 4.320 2.518 2.328 2.717 . 0 0 "[ . 1 . 2]" 1
153 1 16 LEU H 1 17 SER QB . . 4.630 4.379 4.052 4.701 0.071 19 0 "[ . 1 . 2]" 1
154 1 16 LEU HA 1 16 LEU QD . . 2.960 2.176 1.906 2.538 . 0 0 "[ . 1 . 2]" 1
155 1 16 LEU HA 1 16 LEU HG . . 3.590 2.998 2.289 3.673 0.083 14 0 "[ . 1 . 2]" 1
156 1 16 LEU HA 1 31 TRP HZ2 . . 5.240 3.372 2.723 3.994 . 0 0 "[ . 1 . 2]" 1
157 1 16 LEU HB2 1 17 SER H . . 3.690 3.391 2.708 3.749 0.059 11 0 "[ . 1 . 2]" 1
158 1 16 LEU HB2 1 17 SER HA . . 5.500 5.157 4.487 5.613 0.113 11 0 "[ . 1 . 2]" 1
159 1 16 LEU HB3 1 16 LEU QD . . 2.990 2.225 2.115 2.340 . 0 0 "[ . 1 . 2]" 1
160 1 16 LEU HB3 1 17 SER H . . 4.000 3.782 3.158 4.077 0.077 6 0 "[ . 1 . 2]" 1
161 1 16 LEU HB3 1 20 GLN QG . . 4.410 3.454 2.350 4.135 . 0 0 "[ . 1 . 2]" 1
162 1 16 LEU HB3 1 31 TRP HZ2 . . 5.420 4.902 4.173 5.571 0.151 13 0 "[ . 1 . 2]" 1
163 1 16 LEU QD 1 20 GLN QG . . 3.730 2.441 2.015 3.107 . 0 0 "[ . 1 . 2]" 1
164 1 16 LEU QD 1 31 TRP HE1 . . 3.810 3.759 3.522 3.867 0.057 11 0 "[ . 1 . 2]" 1
165 1 16 LEU QD 1 31 TRP HH2 . . 4.830 2.493 2.022 2.893 . 0 0 "[ . 1 . 2]" 1
166 1 16 LEU QD 1 31 TRP HZ2 . . 3.560 2.123 1.949 2.378 . 0 0 "[ . 1 . 2]" 1
167 1 16 LEU QD 1 31 TRP HZ3 . . 5.120 4.192 3.885 4.649 . 0 0 "[ . 1 . 2]" 1
168 1 16 LEU QD 1 32 ALA HA . . 4.780 4.578 4.089 4.775 . 0 0 "[ . 1 . 2]" 1
169 1 16 LEU HG 1 31 TRP HH2 . . 5.500 4.120 2.317 5.571 0.071 17 0 "[ . 1 . 2]" 1
170 1 16 LEU HG 1 31 TRP HZ2 . . 4.990 3.770 2.163 4.855 . 0 0 "[ . 1 . 2]" 1
171 1 17 SER H 1 17 SER QB . . 3.270 2.375 2.149 2.555 . 0 0 "[ . 1 . 2]" 1
172 1 17 SER H 1 18 VAL H . . 3.680 2.376 2.064 2.853 . 0 0 "[ . 1 . 2]" 1
173 1 17 SER HA 1 18 VAL MG2 . . 5.470 4.492 4.278 4.896 . 0 0 "[ . 1 . 2]" 1
174 1 17 SER QB 1 18 VAL H . . 3.770 3.469 2.777 3.639 . 0 0 "[ . 1 . 2]" 1
175 1 18 VAL H 1 18 VAL HB . . 3.400 2.536 2.350 2.724 . 0 0 "[ . 1 . 2]" 1
176 1 18 VAL HA 1 18 VAL MG1 . . 3.530 2.508 2.347 2.634 . 0 0 "[ . 1 . 2]" 1
177 1 18 VAL HA 1 19 LEU QD . . 5.490 4.766 4.211 5.326 . 0 0 "[ . 1 . 2]" 1
178 1 18 VAL HA 1 21 GLN H . . 4.630 4.645 4.365 4.715 0.085 20 0 "[ . 1 . 2]" 1
179 1 18 VAL HA 1 21 GLN QB . . 4.100 3.189 2.912 3.541 . 0 0 "[ . 1 . 2]" 1
180 1 18 VAL HB 1 19 LEU H . . 4.770 2.653 1.966 3.248 . 0 0 "[ . 1 . 2]" 1
181 1 18 VAL HB 1 19 LEU HB2 . . 4.280 3.921 3.300 4.335 0.055 16 0 "[ . 1 . 2]" 1
182 1 18 VAL MG1 1 19 LEU H . . 4.170 3.186 2.361 3.915 . 0 0 "[ . 1 . 2]" 1
183 1 18 VAL MG1 1 51 PHE QD . . 5.310 4.534 3.587 5.391 0.081 1 0 "[ . 1 . 2]" 1
184 1 18 VAL MG1 1 51 PHE QE . . 4.720 3.282 2.812 3.773 . 0 0 "[ . 1 . 2]" 1
185 1 18 VAL MG1 1 51 PHE HZ . . 4.800 4.829 4.305 4.907 0.107 10 0 "[ . 1 . 2]" 1
186 1 18 VAL MG2 1 19 LEU H . . 4.140 4.015 3.676 4.219 0.079 12 0 "[ . 1 . 2]" 1
187 1 19 LEU H 1 19 LEU QD . . 5.010 3.354 2.918 3.848 . 0 0 "[ . 1 . 2]" 1
188 1 19 LEU H 1 20 GLN H . . 4.510 2.822 2.443 3.285 . 0 0 "[ . 1 . 2]" 1
189 1 19 LEU H 1 58 LEU QD . . 4.600 4.276 3.680 4.527 . 0 0 "[ . 1 . 2]" 1
190 1 19 LEU HA 1 19 LEU QD . . 4.090 2.120 1.902 2.824 . 0 0 "[ . 1 . 2]" 1
191 1 19 LEU HA 1 58 LEU QB . . 5.260 5.075 4.847 5.358 0.098 2 0 "[ . 1 . 2]" 1
192 1 19 LEU HA 1 58 LEU QD . . 4.700 4.568 4.311 4.728 0.028 4 0 "[ . 1 . 2]" 1
193 1 19 LEU HB2 1 55 VAL HA . . 4.600 4.489 3.775 4.686 0.086 7 0 "[ . 1 . 2]" 1
194 1 19 LEU HB3 1 20 GLN H . . 4.640 2.240 1.966 3.212 . 0 0 "[ . 1 . 2]" 1
195 1 19 LEU HB3 1 58 LEU QD . . 5.500 2.267 2.027 2.764 . 0 0 "[ . 1 . 2]" 1
196 1 19 LEU QD 1 23 ARG QD . . 4.340 2.378 1.763 3.700 . 0 0 "[ . 1 . 2]" 1
197 1 19 LEU QD 1 55 VAL HA . . 3.800 2.768 1.951 3.796 . 0 0 "[ . 1 . 2]" 1
198 1 19 LEU QD 1 58 LEU QD . . 4.730 2.604 1.916 3.200 . 0 0 "[ . 1 . 2]" 1
199 1 19 LEU HG 1 20 GLN H . . 4.470 4.513 4.311 4.558 0.088 8 0 "[ . 1 . 2]" 1
200 1 19 LEU HG 1 55 VAL HA . . 4.580 3.694 2.764 4.651 0.071 8 0 "[ . 1 . 2]" 1
201 1 20 GLN H 1 20 GLN HB2 . . 3.390 3.374 3.268 3.480 0.090 7 0 "[ . 1 . 2]" 1
202 1 20 GLN H 1 20 GLN HB3 . . 3.180 2.152 1.941 2.617 . 0 0 "[ . 1 . 2]" 1
203 1 20 GLN H 1 20 GLN QG . . 3.300 2.735 2.254 3.143 . 0 0 "[ . 1 . 2]" 1
204 1 20 GLN H 1 21 GLN H . . 4.010 2.917 2.664 3.137 . 0 0 "[ . 1 . 2]" 1
205 1 20 GLN H 1 22 LEU H . . 5.500 4.849 4.580 5.565 0.065 5 0 "[ . 1 . 2]" 1
206 1 20 GLN H 1 24 VAL QG . . 5.330 3.074 2.392 4.277 . 0 0 "[ . 1 . 2]" 1
207 1 20 GLN H 1 31 TRP HE1 . . 5.500 3.587 3.097 4.266 . 0 0 "[ . 1 . 2]" 1
208 1 20 GLN H 1 58 LEU QB . . 4.950 4.982 4.546 5.059 0.109 8 0 "[ . 1 . 2]" 1
209 1 20 GLN H 1 58 LEU QD . . 5.450 3.239 2.982 3.595 . 0 0 "[ . 1 . 2]" 1
210 1 20 GLN HA 1 20 GLN HB3 . . 2.960 2.556 2.408 2.653 . 0 0 "[ . 1 . 2]" 1
211 1 20 GLN HA 1 20 GLN QG . . 3.760 3.450 3.367 3.527 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLN HA 1 24 VAL H . . 4.080 2.226 1.787 2.679 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLN HA 1 31 TRP HE1 . . 5.500 4.486 3.928 5.052 . 0 0 "[ . 1 . 2]" 1
214 1 20 GLN HB2 1 21 GLN H . . 3.820 4.072 3.904 4.308 0.488 17 0 "[ . 1 . 2]" 1
215 1 20 GLN HB2 1 24 VAL QG . . 4.520 2.733 2.194 3.170 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLN HB3 1 20 GLN QG . . 2.800 2.177 2.089 2.543 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLN HB3 1 21 GLN H . . 4.260 3.925 3.712 4.261 0.001 19 0 "[ . 1 . 2]" 1
218 1 20 GLN HB3 1 24 VAL QG . . 3.240 2.582 2.163 3.548 0.308 5 0 "[ . 1 . 2]" 1
219 1 20 GLN QG 1 21 GLN H . . 3.870 2.404 2.122 2.726 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLN QG 1 21 GLN HA . . 4.180 3.577 3.100 3.949 . 0 0 "[ . 1 . 2]" 1
221 1 20 GLN QG 1 22 LEU H . . 5.090 4.877 4.711 5.008 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLN QG 1 31 TRP HH2 . . 4.960 3.603 3.159 4.011 . 0 0 "[ . 1 . 2]" 1
223 1 21 GLN H 1 21 GLN QG . . 4.580 3.856 3.458 4.089 . 0 0 "[ . 1 . 2]" 1
224 1 21 GLN H 1 22 LEU H . . 4.280 3.007 2.747 3.405 . 0 0 "[ . 1 . 2]" 1
225 1 21 GLN H 1 22 LEU QD . . 5.200 4.991 4.401 5.148 . 0 0 "[ . 1 . 2]" 1
226 1 21 GLN H 1 24 VAL QG . . 5.500 4.623 4.256 5.161 . 0 0 "[ . 1 . 2]" 1
227 1 21 GLN HA 1 21 GLN QG . . 2.770 2.535 2.242 2.875 0.105 13 0 "[ . 1 . 2]" 1
228 1 21 GLN QB 1 21 GLN QG . . 2.400 2.044 1.970 2.120 . 0 0 "[ . 1 . 2]" 1
229 1 22 LEU H 1 22 LEU QB . . 3.720 2.812 2.498 3.435 . 0 0 "[ . 1 . 2]" 1
230 1 22 LEU H 1 23 ARG H . . 3.980 1.936 1.744 2.380 . 0 0 "[ . 1 . 2]" 1
231 1 22 LEU H 1 24 VAL H . . 4.510 3.801 3.040 4.161 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU H 1 24 VAL QG . . 5.500 4.812 4.395 5.302 . 0 0 "[ . 1 . 2]" 1
233 1 22 LEU HA 1 22 LEU QD . . 2.930 2.513 1.921 3.066 0.136 20 0 "[ . 1 . 2]" 1
234 1 22 LEU QB 1 24 VAL H . . 5.260 5.166 4.472 5.378 0.118 20 0 "[ . 1 . 2]" 1
235 1 23 ARG H 1 23 ARG HB2 . . 4.000 2.588 2.326 3.674 . 0 0 "[ . 1 . 2]" 1
236 1 23 ARG H 1 23 ARG HB3 . . 3.890 3.600 3.282 3.851 . 0 0 "[ . 1 . 2]" 1
237 1 23 ARG H 1 23 ARG QD . . 3.430 2.741 1.876 3.381 . 0 0 "[ . 1 . 2]" 1
238 1 23 ARG H 1 23 ARG QG . . 3.460 2.667 1.962 3.536 0.076 7 0 "[ . 1 . 2]" 1
239 1 23 ARG H 1 24 VAL H . . 3.560 2.702 2.181 3.520 . 0 0 "[ . 1 . 2]" 1
240 1 23 ARG H 1 24 VAL QG . . 5.500 4.075 3.661 4.598 . 0 0 "[ . 1 . 2]" 1
241 1 23 ARG HA 1 23 ARG QD . . 4.680 3.488 2.048 4.104 . 0 0 "[ . 1 . 2]" 1
242 1 23 ARG HA 1 23 ARG QG . . 3.500 2.566 2.069 3.473 . 0 0 "[ . 1 . 2]" 1
243 1 23 ARG HA 1 24 VAL H . . 3.550 3.449 3.223 3.575 0.025 14 0 "[ . 1 . 2]" 1
244 1 23 ARG HA 1 24 VAL HB . . 5.500 5.343 4.886 5.590 0.090 7 0 "[ . 1 . 2]" 1
245 1 23 ARG HB2 1 23 ARG QD . . 3.110 2.454 2.137 3.415 0.305 16 0 "[ . 1 . 2]" 1
246 1 23 ARG HB2 1 24 VAL H . . 4.410 2.441 1.846 3.787 . 0 0 "[ . 1 . 2]" 1
247 1 23 ARG HB2 1 24 VAL QG . . 3.920 2.817 2.273 3.226 . 0 0 "[ . 1 . 2]" 1
248 1 23 ARG HB3 1 24 VAL H . . 5.230 3.372 2.729 4.480 . 0 0 "[ . 1 . 2]" 1
249 1 23 ARG QD 1 23 ARG QG . . 2.450 2.088 2.024 2.119 . 0 0 "[ . 1 . 2]" 1
250 1 23 ARG QD 1 24 VAL H . . 4.670 4.128 3.639 4.368 . 0 0 "[ . 1 . 2]" 1
251 1 23 ARG QD 1 24 VAL QG . . 5.330 4.203 3.694 4.716 . 0 0 "[ . 1 . 2]" 1
252 1 23 ARG QG 1 24 VAL H . . 4.100 4.040 3.117 4.221 0.121 4 0 "[ . 1 . 2]" 1
253 1 24 VAL H 1 24 VAL HB . . 3.530 2.959 2.219 3.464 . 0 0 "[ . 1 . 2]" 1
254 1 24 VAL H 1 24 VAL QG . . 3.500 2.228 1.846 2.701 . 0 0 "[ . 1 . 2]" 1
255 1 24 VAL H 1 25 GLU H . . 4.240 3.588 2.761 4.339 0.099 19 0 "[ . 1 . 2]" 1
256 1 24 VAL H 1 58 LEU QD . . 5.500 5.075 4.441 5.474 . 0 0 "[ . 1 . 2]" 1
257 1 24 VAL HA 1 25 GLU H . . 3.280 2.506 2.005 3.359 0.079 7 0 "[ . 1 . 2]" 1
258 1 24 VAL HB 1 31 TRP HD1 . . 4.450 4.461 4.205 4.531 0.081 10 0 "[ . 1 . 2]" 1
259 1 24 VAL HB 1 31 TRP HE1 . . 5.120 4.963 4.168 5.202 0.082 6 0 "[ . 1 . 2]" 1
260 1 24 VAL QG 1 25 GLU H . . 4.030 3.084 1.650 3.709 . 0 0 "[ . 1 . 2]" 1
261 1 24 VAL QG 1 31 TRP HA . . 4.090 3.951 3.494 4.064 . 0 0 "[ . 1 . 2]" 1
262 1 24 VAL QG 1 31 TRP HB2 . . 4.510 2.265 2.036 2.515 . 0 0 "[ . 1 . 2]" 1
263 1 24 VAL QG 1 31 TRP HB3 . . 4.370 2.870 2.296 3.284 . 0 0 "[ . 1 . 2]" 1
264 1 24 VAL QG 1 31 TRP HD1 . . 4.120 2.426 2.277 2.796 . 0 0 "[ . 1 . 2]" 1
265 1 24 VAL QG 1 31 TRP HE1 . . 4.230 2.680 2.337 3.592 . 0 0 "[ . 1 . 2]" 1
266 1 24 VAL QG 1 31 TRP HE3 . . 4.390 3.768 2.982 4.211 . 0 0 "[ . 1 . 2]" 1
267 1 24 VAL QG 1 31 TRP HH2 . . 5.500 4.872 4.345 5.304 . 0 0 "[ . 1 . 2]" 1
268 1 24 VAL QG 1 31 TRP HZ3 . . 5.400 4.805 3.930 5.203 . 0 0 "[ . 1 . 2]" 1
269 1 24 VAL QG 1 58 LEU QD . . 5.500 2.319 2.025 2.876 . 0 0 "[ . 1 . 2]" 1
270 1 25 GLU H 1 25 GLU HB2 . . 3.580 2.712 2.083 3.978 0.398 7 0 "[ . 1 . 2]" 1
271 1 25 GLU H 1 25 GLU QG . . 4.040 3.437 2.235 4.128 0.088 17 0 "[ . 1 . 2]" 1
272 1 25 GLU HA 1 25 GLU HB2 . . 2.680 2.673 2.194 2.935 0.255 4 0 "[ . 1 . 2]" 1
273 1 25 GLU HA 1 25 GLU HB3 . . 2.840 2.740 2.248 2.937 0.097 14 0 "[ . 1 . 2]" 1
274 1 25 GLU HB2 1 25 GLU QG . . 2.400 2.268 2.117 2.400 0.000 5 0 "[ . 1 . 2]" 1
275 1 25 GLU HB3 1 25 GLU QG . . 2.400 2.383 2.166 2.499 0.099 7 0 "[ . 1 . 2]" 1
276 1 29 LYS HA 1 29 LYS QD . . 3.460 2.622 2.134 3.524 0.064 7 0 "[ . 1 . 2]" 1
277 1 29 LYS HA 1 29 LYS QE . . 5.200 3.747 1.956 4.814 . 0 0 "[ . 1 . 2]" 1
278 1 29 LYS HA 1 29 LYS HG2 . . 3.780 3.336 2.344 3.859 0.079 7 0 "[ . 1 . 2]" 1
279 1 29 LYS HA 1 29 LYS HG3 . . 3.900 2.835 2.261 3.796 . 0 0 "[ . 1 . 2]" 1
280 1 29 LYS HA 1 32 ALA H . . 5.270 3.448 2.537 5.350 0.080 7 0 "[ . 1 . 2]" 1
281 1 29 LYS QB 1 29 LYS QE . . 3.600 3.320 1.898 3.711 0.111 18 0 "[ . 1 . 2]" 1
282 1 29 LYS QB 1 30 LEU H . . 3.640 2.925 1.684 3.576 . 0 0 "[ . 1 . 2]" 1
283 1 29 LYS QB 1 32 ALA H . . 4.820 4.738 4.133 4.915 0.095 20 0 "[ . 1 . 2]" 1
284 1 29 LYS QD 1 29 LYS QE . . 2.400 2.075 1.994 2.123 . 0 0 "[ . 1 . 2]" 1
285 1 29 LYS QE 1 29 LYS HG3 . . 2.400 2.725 2.120 3.362 0.962 12 8 "[ * - * 1 + *.** *2]" 1
286 1 30 LEU H 1 30 LEU QB . . 3.490 2.133 1.966 2.350 . 0 0 "[ . 1 . 2]" 1
287 1 30 LEU H 1 30 LEU HG . . 4.300 4.359 4.273 4.383 0.083 20 0 "[ . 1 . 2]" 1
288 1 30 LEU H 1 31 TRP H . . 4.260 2.886 2.101 3.423 . 0 0 "[ . 1 . 2]" 1
289 1 30 LEU H 1 31 TRP HB3 . . 5.500 4.695 3.856 5.204 . 0 0 "[ . 1 . 2]" 1
290 1 30 LEU HA 1 30 LEU QD . . 3.080 2.477 2.119 3.010 . 0 0 "[ . 1 . 2]" 1
291 1 30 LEU HA 1 30 LEU HG . . 4.050 3.358 2.592 4.075 0.025 7 0 "[ . 1 . 2]" 1
292 1 30 LEU HA 1 33 GLN H . . 3.960 3.598 3.110 3.966 0.006 19 0 "[ . 1 . 2]" 1
293 1 30 LEU QB 1 30 LEU QD . . 2.700 1.987 1.931 2.075 . 0 0 "[ . 1 . 2]" 1
294 1 30 LEU QB 1 31 TRP H . . 3.700 2.512 2.056 3.489 . 0 0 "[ . 1 . 2]" 1
295 1 30 LEU QD 1 31 TRP HA . . 5.330 3.317 2.358 4.387 . 0 0 "[ . 1 . 2]" 1
296 1 30 LEU QD 1 33 GLN QG . . 5.500 4.119 2.570 5.017 . 0 0 "[ . 1 . 2]" 1
297 1 30 LEU QD 1 64 MET QB . . 4.330 2.949 2.517 3.646 . 0 0 "[ . 1 . 2]" 1
298 1 30 LEU QD 1 64 MET HG2 . . 5.030 3.368 2.893 3.595 . 0 0 "[ . 1 . 2]" 1
299 1 30 LEU QD 1 64 MET HG3 . . 2.970 2.055 1.865 2.313 . 0 0 "[ . 1 . 2]" 1
300 1 30 LEU QD 1 65 GLN H . . 3.570 3.357 2.742 3.592 0.022 17 0 "[ . 1 . 2]" 1
301 1 30 LEU QD 1 65 GLN HA . . 4.980 2.215 1.870 2.988 . 0 0 "[ . 1 . 2]" 1
302 1 30 LEU HG 1 31 TRP HA . . 5.500 4.436 3.249 5.578 0.078 7 0 "[ . 1 . 2]" 1
303 1 30 LEU HG 1 64 MET HG3 . . 3.810 3.468 2.818 3.872 0.062 4 0 "[ . 1 . 2]" 1
304 1 31 TRP H 1 31 TRP HB2 . . 4.100 3.009 2.628 3.144 . 0 0 "[ . 1 . 2]" 1
305 1 31 TRP H 1 32 ALA H . . 4.000 2.694 2.557 2.892 . 0 0 "[ . 1 . 2]" 1
306 1 31 TRP H 1 33 GLN H . . 4.680 4.256 3.998 4.471 . 0 0 "[ . 1 . 2]" 1
307 1 31 TRP HA 1 31 TRP HD1 . . 4.120 3.379 2.909 3.646 . 0 0 "[ . 1 . 2]" 1
308 1 31 TRP HA 1 31 TRP HE3 . . 4.850 4.906 4.791 4.933 0.083 18 0 "[ . 1 . 2]" 1
309 1 31 TRP HA 1 32 ALA MB . . 5.500 5.052 4.995 5.090 . 0 0 "[ . 1 . 2]" 1
310 1 31 TRP HA 1 34 CYS H . . 4.740 3.790 3.518 4.427 . 0 0 "[ . 1 . 2]" 1
311 1 31 TRP HA 1 34 CYS QB . . 4.810 3.623 3.245 4.120 . 0 0 "[ . 1 . 2]" 1
312 1 31 TRP HA 1 58 LEU QD . . 4.630 3.768 3.476 4.150 . 0 0 "[ . 1 . 2]" 1
313 1 31 TRP HA 1 64 MET HG3 . . 5.500 5.573 5.464 5.595 0.095 12 0 "[ . 1 . 2]" 1
314 1 31 TRP HA 1 65 GLN HG3 . . 5.360 3.834 3.064 4.449 . 0 0 "[ . 1 . 2]" 1
315 1 31 TRP HB2 1 32 ALA H . . 4.130 4.092 3.639 4.272 0.142 6 0 "[ . 1 . 2]" 1
316 1 31 TRP HB2 1 65 GLN HG3 . . 4.840 2.367 2.091 2.688 . 0 0 "[ . 1 . 2]" 1
317 1 31 TRP HB3 1 32 ALA H . . 4.370 2.951 2.266 3.261 . 0 0 "[ . 1 . 2]" 1
318 1 31 TRP HB3 1 65 GLN HG3 . . 5.010 3.516 2.731 4.032 . 0 0 "[ . 1 . 2]" 1
319 1 31 TRP HD1 1 35 VAL HA . . 5.500 5.543 5.246 5.592 0.092 10 0 "[ . 1 . 2]" 1
320 1 31 TRP HD1 1 58 LEU HA . . 5.410 4.454 4.039 4.966 . 0 0 "[ . 1 . 2]" 1
321 1 31 TRP HD1 1 58 LEU QB . . 5.030 4.034 3.502 4.708 . 0 0 "[ . 1 . 2]" 1
322 1 31 TRP HD1 1 58 LEU QD . . 5.080 2.142 1.833 2.392 . 0 0 "[ . 1 . 2]" 1
323 1 31 TRP HD1 1 65 GLN HG3 . . 4.440 4.384 3.993 4.525 0.085 8 0 "[ . 1 . 2]" 1
324 1 31 TRP HE1 1 32 ALA HA . . 5.400 5.142 4.494 5.462 0.062 8 0 "[ . 1 . 2]" 1
325 1 31 TRP HE1 1 35 VAL HB . . 5.160 4.199 3.024 5.238 0.078 18 0 "[ . 1 . 2]" 1
326 1 31 TRP HE1 1 35 VAL MG2 . . 5.500 2.861 2.287 4.826 . 0 0 "[ . 1 . 2]" 1
327 1 31 TRP HE1 1 58 LEU QD . . 4.780 1.957 1.736 2.170 . 0 0 "[ . 1 . 2]" 1
328 1 31 TRP HE3 1 32 ALA HA . . 4.790 4.120 3.708 4.376 . 0 0 "[ . 1 . 2]" 1
329 1 31 TRP HE3 1 32 ALA MB . . 4.940 3.012 2.584 3.419 . 0 0 "[ . 1 . 2]" 1
330 1 31 TRP HH2 1 32 ALA HA . . 5.500 5.430 5.045 5.581 0.081 12 0 "[ . 1 . 2]" 1
331 1 31 TRP HH2 1 32 ALA MB . . 5.500 4.626 4.176 5.015 . 0 0 "[ . 1 . 2]" 1
332 1 31 TRP HH2 1 35 VAL MG1 . . 5.500 4.277 3.479 5.012 . 0 0 "[ . 1 . 2]" 1
333 1 31 TRP HZ3 1 32 ALA HA . . 5.000 4.909 4.526 5.073 0.073 20 0 "[ . 1 . 2]" 1
334 1 31 TRP HZ3 1 32 ALA MB . . 5.430 3.387 3.020 3.903 . 0 0 "[ . 1 . 2]" 1
335 1 32 ALA H 1 32 ALA MB . . 2.990 2.248 2.200 2.282 . 0 0 "[ . 1 . 2]" 1
336 1 32 ALA H 1 33 GLN H . . 3.820 2.805 2.675 3.060 . 0 0 "[ . 1 . 2]" 1
337 1 32 ALA H 1 33 GLN QB . . 4.620 4.501 4.137 4.702 0.082 7 0 "[ . 1 . 2]" 1
338 1 32 ALA H 1 34 CYS H . . 4.800 4.245 4.001 4.429 . 0 0 "[ . 1 . 2]" 1
339 1 32 ALA H 1 35 VAL H . . 5.500 4.507 4.361 4.694 . 0 0 "[ . 1 . 2]" 1
340 1 32 ALA H 1 58 LEU QD . . 5.500 5.181 5.077 5.247 . 0 0 "[ . 1 . 2]" 1
341 1 32 ALA HA 1 34 CYS QB . . 5.390 4.996 4.721 5.238 . 0 0 "[ . 1 . 2]" 1
342 1 32 ALA HA 1 35 VAL H . . 5.350 2.731 2.482 3.003 . 0 0 "[ . 1 . 2]" 1
343 1 32 ALA HA 1 35 VAL HA . . 5.440 4.580 4.293 4.911 . 0 0 "[ . 1 . 2]" 1
344 1 32 ALA HA 1 35 VAL MG1 . . 5.140 2.530 2.011 3.775 . 0 0 "[ . 1 . 2]" 1
345 1 32 ALA HA 1 35 VAL MG2 . . 5.500 3.198 2.037 3.819 . 0 0 "[ . 1 . 2]" 1
346 1 32 ALA MB 1 33 GLN H . . 3.220 2.800 2.549 3.170 . 0 0 "[ . 1 . 2]" 1
347 1 32 ALA MB 1 34 CYS H . . 4.490 4.393 4.138 4.597 0.107 20 0 "[ . 1 . 2]" 1
348 1 32 ALA MB 1 35 VAL H . . 5.080 4.137 4.023 4.397 . 0 0 "[ . 1 . 2]" 1
349 1 32 ALA MB 1 35 VAL MG2 . . 5.500 4.071 2.532 4.629 . 0 0 "[ . 1 . 2]" 1
350 1 32 ALA MB 1 36 GLN H . . 5.310 4.218 3.903 4.482 . 0 0 "[ . 1 . 2]" 1
351 1 32 ALA MB 1 36 GLN HG2 . . 5.500 4.708 4.338 5.050 . 0 0 "[ . 1 . 2]" 1
352 1 33 GLN H 1 33 GLN QB . . 3.030 2.119 1.894 2.401 . 0 0 "[ . 1 . 2]" 1
353 1 33 GLN H 1 33 GLN QG . . 3.440 3.048 2.183 3.552 0.112 19 0 "[ . 1 . 2]" 1
354 1 33 GLN H 1 34 CYS H . . 3.670 2.848 2.680 3.376 . 0 0 "[ . 1 . 2]" 1
355 1 33 GLN H 1 35 VAL H . . 5.500 4.027 3.815 4.420 . 0 0 "[ . 1 . 2]" 1
356 1 33 GLN H 1 36 GLN HG2 . . 4.660 4.625 4.336 4.735 0.075 1 0 "[ . 1 . 2]" 1
357 1 33 GLN QG 1 34 CYS H . . 5.210 4.042 2.435 4.873 . 0 0 "[ . 1 . 2]" 1
358 1 34 CYS H 1 34 CYS QB . . 3.730 2.395 2.165 2.749 . 0 0 "[ . 1 . 2]" 1
359 1 34 CYS H 1 35 VAL HB . . 4.770 4.214 3.753 4.878 0.108 15 0 "[ . 1 . 2]" 1
360 1 34 CYS H 1 58 LEU QD . . 4.850 3.717 3.455 3.936 . 0 0 "[ . 1 . 2]" 1
361 1 34 CYS HA 1 35 VAL HA . . 4.480 4.572 4.557 4.582 0.102 10 0 "[ . 1 . 2]" 1
362 1 34 CYS HA 1 58 LEU QD . . 4.460 3.969 3.737 4.208 . 0 0 "[ . 1 . 2]" 1
363 1 34 CYS QB 1 35 VAL H . . 5.000 2.911 2.647 3.110 . 0 0 "[ . 1 . 2]" 1
364 1 34 CYS QB 1 35 VAL HA . . 5.300 3.911 3.219 4.188 . 0 0 "[ . 1 . 2]" 1
365 1 34 CYS QB 1 35 VAL MG2 . . 5.500 4.344 3.404 5.099 . 0 0 "[ . 1 . 2]" 1
366 1 34 CYS QB 1 57 LEU QD . . 3.460 2.833 2.098 3.408 . 0 0 "[ . 1 . 2]" 1
367 1 34 CYS QB 1 58 LEU QD . . 3.630 1.914 1.823 2.097 . 0 0 "[ . 1 . 2]" 1
368 1 34 CYS QB 1 61 LEU MD1 . . 4.710 3.286 3.069 3.675 . 0 0 "[ . 1 . 2]" 1
369 1 34 CYS QB 1 61 LEU HG . . 4.790 2.236 1.978 2.804 . 0 0 "[ . 1 . 2]" 1
370 1 35 VAL H 1 35 VAL HB . . 3.690 2.367 2.014 3.494 . 0 0 "[ . 1 . 2]" 1
371 1 35 VAL H 1 35 VAL MG1 . . 3.240 3.173 2.164 3.818 0.578 18 4 "[ . * .- +*2]" 1
372 1 35 VAL H 1 35 VAL MG2 . . 4.230 3.158 2.092 3.619 . 0 0 "[ . 1 . 2]" 1
373 1 35 VAL H 1 58 LEU QD . . 3.320 3.052 2.640 3.301 . 0 0 "[ . 1 . 2]" 1
374 1 35 VAL HA 1 35 VAL MG1 . . 3.340 2.967 2.364 3.263 . 0 0 "[ . 1 . 2]" 1
375 1 35 VAL HA 1 37 LEU H . . 5.500 4.268 3.645 5.028 . 0 0 "[ . 1 . 2]" 1
376 1 35 VAL HA 1 38 HIS HB2 . . 5.010 4.454 4.200 4.891 . 0 0 "[ . 1 . 2]" 1
377 1 35 VAL HA 1 38 HIS HE1 . . 4.950 4.928 4.523 5.039 0.089 17 0 "[ . 1 . 2]" 1
378 1 35 VAL HA 1 57 LEU QD . . 4.710 3.533 3.297 3.940 . 0 0 "[ . 1 . 2]" 1
379 1 35 VAL HA 1 58 LEU QD . . 5.500 2.810 2.362 3.047 . 0 0 "[ . 1 . 2]" 1
380 1 35 VAL HB 1 36 GLN H . . 3.900 3.529 2.634 3.972 0.072 14 0 "[ . 1 . 2]" 1
381 1 35 VAL MG1 1 36 GLN H . . 4.150 2.926 2.284 3.922 . 0 0 "[ . 1 . 2]" 1
382 1 35 VAL MG2 1 36 GLN H . . 4.460 4.061 2.487 4.493 0.033 13 0 "[ . 1 . 2]" 1
383 1 36 GLN H 1 36 GLN HG2 . . 3.680 2.303 1.999 2.820 . 0 0 "[ . 1 . 2]" 1
384 1 36 GLN H 1 36 GLN HG3 . . 3.310 2.958 2.317 3.360 0.050 1 0 "[ . 1 . 2]" 1
385 1 36 GLN H 1 37 LEU H . . 3.870 3.006 2.749 3.335 . 0 0 "[ . 1 . 2]" 1
386 1 36 GLN H 1 58 LEU QD . . 5.500 4.924 4.550 5.153 . 0 0 "[ . 1 . 2]" 1
387 1 36 GLN HA 1 36 GLN HG2 . . 4.110 3.844 3.692 4.159 0.049 4 0 "[ . 1 . 2]" 1
388 1 36 GLN QB 1 36 GLN HG2 . . 2.400 2.270 2.149 2.434 0.034 17 0 "[ . 1 . 2]" 1
389 1 36 GLN HG2 1 37 LEU H . . 4.250 3.329 2.556 4.249 . 0 0 "[ . 1 . 2]" 1
390 1 36 GLN HG3 1 37 LEU H . . 3.680 2.205 1.649 3.076 . 0 0 "[ . 1 . 2]" 1
391 1 36 GLN HG3 1 37 LEU QD . . 3.940 2.778 2.288 3.905 . 0 0 "[ . 1 . 2]" 1
392 1 37 LEU H 1 37 LEU HB2 . . 3.440 2.159 1.945 3.328 . 0 0 "[ . 1 . 2]" 1
393 1 37 LEU H 1 37 LEU HB3 . . 3.590 3.204 2.235 3.419 . 0 0 "[ . 1 . 2]" 1
394 1 37 LEU H 1 37 LEU QD . . 2.990 2.953 2.570 3.039 0.049 14 0 "[ . 1 . 2]" 1
395 1 37 LEU H 1 40 ASP QB . . 5.380 5.262 5.042 5.307 . 0 0 "[ . 1 . 2]" 1
396 1 37 LEU HA 1 37 LEU QD . . 2.590 1.968 1.875 2.621 0.031 4 0 "[ . 1 . 2]" 1
397 1 37 LEU HA 1 40 ASP H . . 3.800 3.188 2.822 3.410 . 0 0 "[ . 1 . 2]" 1
398 1 37 LEU HA 1 40 ASP QB . . 3.870 2.696 2.520 2.834 . 0 0 "[ . 1 . 2]" 1
399 1 37 LEU HB3 1 38 HIS HA . . 5.490 4.115 3.883 5.462 . 0 0 "[ . 1 . 2]" 1
400 1 37 LEU QD 1 40 ASP H . . 4.550 3.648 3.276 3.892 . 0 0 "[ . 1 . 2]" 1
401 1 37 LEU QD 1 40 ASP QB . . 4.250 2.301 1.972 2.795 . 0 0 "[ . 1 . 2]" 1
402 1 38 HIS H 1 38 HIS HB2 . . 3.600 3.469 3.333 3.585 . 0 0 "[ . 1 . 2]" 1
403 1 38 HIS H 1 38 HIS HB3 . . 3.740 2.221 2.105 2.329 . 0 0 "[ . 1 . 2]" 1
404 1 38 HIS H 1 38 HIS HD2 . . 5.500 5.337 5.109 5.543 0.043 18 0 "[ . 1 . 2]" 1
405 1 38 HIS H 1 57 LEU QD . . 4.010 2.906 2.610 3.140 . 0 0 "[ . 1 . 2]" 1
406 1 38 HIS HA 1 38 HIS HD2 . . 4.000 3.993 3.774 4.080 0.080 19 0 "[ . 1 . 2]" 1
407 1 38 HIS HA 1 40 ASP H . . 4.190 4.062 3.652 4.276 0.086 9 0 "[ . 1 . 2]" 1
408 1 38 HIS HA 1 41 ILE HB . . 3.750 2.221 2.051 2.613 . 0 0 "[ . 1 . 2]" 1
409 1 38 HIS HA 1 54 MET HB3 . . 4.880 4.418 3.828 5.475 0.595 10 1 "[ . + . 2]" 1
410 1 38 HIS HA 1 54 MET QG . . 3.950 3.925 3.208 4.059 0.109 13 0 "[ . 1 . 2]" 1
411 1 38 HIS HA 1 57 LEU QD . . 2.700 2.530 2.354 2.715 0.015 15 0 "[ . 1 . 2]" 1
412 1 38 HIS HB2 1 41 ILE HB . . 4.900 3.772 3.539 4.090 . 0 0 "[ . 1 . 2]" 1
413 1 38 HIS HB2 1 54 MET HB2 . . 4.600 2.445 2.124 3.949 . 0 0 "[ . 1 . 2]" 1
414 1 38 HIS HB2 1 57 LEU QD . . 3.700 2.531 2.324 2.914 . 0 0 "[ . 1 . 2]" 1
415 1 38 HIS HB3 1 39 ASN H . . 5.360 3.796 3.650 4.002 . 0 0 "[ . 1 . 2]" 1
416 1 38 HIS HB3 1 41 ILE HB . . 4.640 4.781 4.557 4.957 0.317 18 0 "[ . 1 . 2]" 1
417 1 38 HIS HB3 1 57 LEU QD . . 4.900 2.349 2.194 2.930 . 0 0 "[ . 1 . 2]" 1
418 1 38 HIS HD2 1 39 ASN H . . 5.200 4.568 4.034 5.095 . 0 0 "[ . 1 . 2]" 1
419 1 38 HIS HD2 1 54 MET HB3 . . 4.370 4.256 3.803 4.757 0.387 10 0 "[ . 1 . 2]" 1
420 1 38 HIS HD2 1 57 LEU QD . . 5.500 4.696 4.474 4.833 . 0 0 "[ . 1 . 2]" 1
421 1 38 HIS HE1 1 39 ASN H . . 5.420 4.477 3.843 4.796 . 0 0 "[ . 1 . 2]" 1
422 1 39 ASN H 1 39 ASN QB . . 3.740 2.426 2.162 2.888 . 0 0 "[ . 1 . 2]" 1
423 1 39 ASN H 1 40 ASP H . . 4.370 2.626 2.449 2.805 . 0 0 "[ . 1 . 2]" 1
424 1 39 ASN HA 1 41 ILE HB . . 5.250 5.242 4.980 5.332 0.082 20 0 "[ . 1 . 2]" 1
425 1 40 ASP H 1 40 ASP QB . . 3.600 2.092 1.955 2.320 . 0 0 "[ . 1 . 2]" 1
426 1 40 ASP H 1 41 ILE H . . 4.330 2.346 2.031 2.596 . 0 0 "[ . 1 . 2]" 1
427 1 40 ASP H 1 41 ILE HB . . 5.210 4.260 3.717 4.868 . 0 0 "[ . 1 . 2]" 1
428 1 40 ASP H 1 42 LEU H . . 4.890 4.082 3.559 4.369 . 0 0 "[ . 1 . 2]" 1
429 1 40 ASP QB 1 41 ILE H . . 4.000 2.735 2.328 3.168 . 0 0 "[ . 1 . 2]" 1
430 1 40 ASP QB 1 42 LEU H . . 5.500 4.747 4.567 4.904 . 0 0 "[ . 1 . 2]" 1
431 1 40 ASP QB 1 43 LEU H . . 5.500 5.171 4.843 5.299 . 0 0 "[ . 1 . 2]" 1
432 1 41 ILE H 1 41 ILE HB . . 3.430 2.353 2.155 2.585 . 0 0 "[ . 1 . 2]" 1
433 1 41 ILE H 1 42 LEU H . . 4.070 3.054 2.642 3.331 . 0 0 "[ . 1 . 2]" 1
434 1 41 ILE H 1 42 LEU QD . . 4.170 3.925 3.598 4.068 . 0 0 "[ . 1 . 2]" 1
435 1 41 ILE H 1 43 LEU H . . 4.880 4.666 4.397 4.944 0.064 2 0 "[ . 1 . 2]" 1
436 1 41 ILE H 1 44 ALA MB . . 4.630 4.727 4.626 4.748 0.118 16 0 "[ . 1 . 2]" 1
437 1 41 ILE HA 1 41 ILE MG . . 3.440 2.589 2.380 2.683 . 0 0 "[ . 1 . 2]" 1
438 1 41 ILE HA 1 42 LEU HA . . 5.500 4.848 4.739 5.002 . 0 0 "[ . 1 . 2]" 1
439 1 41 ILE HA 1 43 LEU H . . 5.270 3.669 3.323 3.962 . 0 0 "[ . 1 . 2]" 1
440 1 41 ILE HA 1 44 ALA H . . 4.470 3.872 3.515 4.278 . 0 0 "[ . 1 . 2]" 1
441 1 41 ILE HA 1 44 ALA HA . . 5.320 3.852 3.081 4.648 . 0 0 "[ . 1 . 2]" 1
442 1 41 ILE HA 1 44 ALA MB . . 3.710 2.272 2.102 2.379 . 0 0 "[ . 1 . 2]" 1
443 1 41 ILE HA 1 50 ALA HA . . 4.840 4.542 4.155 4.885 0.045 2 0 "[ . 1 . 2]" 1
444 1 41 ILE HA 1 50 ALA MB . . 4.940 4.375 4.153 4.564 . 0 0 "[ . 1 . 2]" 1
445 1 41 ILE HB 1 42 LEU H . . 3.880 3.359 2.946 3.627 . 0 0 "[ . 1 . 2]" 1
446 1 41 ILE HB 1 42 LEU HA . . 5.340 4.754 4.253 4.970 . 0 0 "[ . 1 . 2]" 1
447 1 41 ILE HB 1 42 LEU QD . . 4.010 3.690 3.434 3.861 . 0 0 "[ . 1 . 2]" 1
448 1 41 ILE HB 1 51 PHE HA . . 5.060 5.080 4.855 5.153 0.093 2 0 "[ . 1 . 2]" 1
449 1 41 ILE HB 1 54 MET HA . . 3.500 3.435 3.118 3.578 0.078 6 0 "[ . 1 . 2]" 1
450 1 41 ILE HB 1 54 MET QG . . 4.630 4.508 3.529 4.724 0.094 19 0 "[ . 1 . 2]" 1
451 1 41 ILE MG 1 42 LEU H . . 3.850 3.702 3.346 3.936 0.086 17 0 "[ . 1 . 2]" 1
452 1 41 ILE MG 1 44 ALA MB . . 3.580 2.339 2.081 2.808 . 0 0 "[ . 1 . 2]" 1
453 1 41 ILE MG 1 50 ALA HA . . 3.950 2.627 2.296 2.882 . 0 0 "[ . 1 . 2]" 1
454 1 41 ILE MG 1 50 ALA MB . . 3.330 3.136 2.512 3.422 0.092 4 0 "[ . 1 . 2]" 1
455 1 41 ILE MG 1 51 PHE HA . . 5.160 3.306 2.969 4.120 . 0 0 "[ . 1 . 2]" 1
456 1 41 ILE MG 1 54 MET HB3 . . 4.870 2.531 2.017 3.591 . 0 0 "[ . 1 . 2]" 1
457 1 41 ILE MG 1 54 MET QG . . 4.410 3.970 3.501 4.493 0.083 4 0 "[ . 1 . 2]" 1
458 1 42 LEU H 1 42 LEU HB2 . . 3.610 2.570 2.413 2.773 . 0 0 "[ . 1 . 2]" 1
459 1 42 LEU H 1 42 LEU HB3 . . 3.570 3.634 3.522 3.652 0.082 14 0 "[ . 1 . 2]" 1
460 1 42 LEU H 1 42 LEU QD . . 3.170 2.101 1.718 2.718 . 0 0 "[ . 1 . 2]" 1
461 1 42 LEU HA 1 42 LEU QD . . 2.690 2.068 1.957 2.230 . 0 0 "[ . 1 . 2]" 1
462 1 42 LEU HA 1 42 LEU HG . . 3.870 3.489 2.661 3.716 . 0 0 "[ . 1 . 2]" 1
463 1 42 LEU HA 1 44 ALA H . . 4.690 3.903 3.722 4.145 . 0 0 "[ . 1 . 2]" 1
464 1 42 LEU HA 1 51 PHE H . . 4.770 3.791 3.552 4.277 . 0 0 "[ . 1 . 2]" 1
465 1 42 LEU HA 1 51 PHE QB . . 4.540 4.090 3.936 4.402 . 0 0 "[ . 1 . 2]" 1
466 1 42 LEU QD 1 43 LEU H . . 4.200 3.917 3.730 4.008 . 0 0 "[ . 1 . 2]" 1
467 1 42 LEU QD 1 43 LEU QB . . 5.500 5.035 4.664 5.218 . 0 0 "[ . 1 . 2]" 1
468 1 43 LEU H 1 43 LEU QB . . 3.130 2.595 2.487 2.773 . 0 0 "[ . 1 . 2]" 1
469 1 43 LEU H 1 43 LEU QD . . 3.540 3.302 2.729 3.524 . 0 0 "[ . 1 . 2]" 1
470 1 43 LEU H 1 44 ALA H . . 3.690 3.005 2.670 3.203 . 0 0 "[ . 1 . 2]" 1
471 1 43 LEU H 1 44 ALA MB . . 4.070 4.044 3.664 4.177 0.107 5 0 "[ . 1 . 2]" 1
472 1 43 LEU HA 1 43 LEU QD . . 2.400 1.963 1.892 2.040 . 0 0 "[ . 1 . 2]" 1
473 1 43 LEU HA 1 43 LEU HG . . 4.070 3.223 2.601 3.670 . 0 0 "[ . 1 . 2]" 1
474 1 43 LEU HA 1 44 ALA H . . 3.480 2.566 2.498 2.639 . 0 0 "[ . 1 . 2]" 1
475 1 43 LEU QB 1 44 ALA H . . 4.050 3.976 3.834 4.098 0.048 3 0 "[ . 1 . 2]" 1
476 1 43 LEU QD 1 44 ALA H . . 3.930 3.904 3.700 3.965 0.035 10 0 "[ . 1 . 2]" 1
477 1 43 LEU QD 1 46 ASP H . . 5.500 5.365 4.822 5.496 . 0 0 "[ . 1 . 2]" 1
478 1 44 ALA H 1 44 ALA MB . . 2.870 2.345 2.250 2.473 . 0 0 "[ . 1 . 2]" 1
479 1 44 ALA H 1 45 LYS H . . 4.340 2.918 2.346 4.414 0.074 7 0 "[ . 1 . 2]" 1
480 1 44 ALA H 1 46 ASP H . . 5.330 4.311 3.672 4.636 . 0 0 "[ . 1 . 2]" 1
481 1 44 ALA H 1 50 ALA H . . 4.620 4.611 4.096 4.704 0.084 2 0 "[ . 1 . 2]" 1
482 1 44 ALA H 1 50 ALA HA . . 4.810 3.299 2.922 3.793 . 0 0 "[ . 1 . 2]" 1
483 1 44 ALA H 1 50 ALA MB . . 3.500 2.006 1.825 2.171 . 0 0 "[ . 1 . 2]" 1
484 1 44 ALA H 1 51 PHE H . . 5.070 5.156 5.145 5.167 0.097 20 0 "[ . 1 . 2]" 1
485 1 44 ALA HA 1 45 LYS QB . . 4.530 4.449 4.024 4.617 0.087 9 0 "[ . 1 . 2]" 1
486 1 44 ALA MB 1 45 LYS H . . 3.730 2.725 2.168 3.663 . 0 0 "[ . 1 . 2]" 1
487 1 44 ALA MB 1 46 ASP H . . 3.940 3.971 3.786 4.045 0.105 10 0 "[ . 1 . 2]" 1
488 1 44 ALA MB 1 50 ALA H . . 3.800 3.886 3.792 3.914 0.114 7 0 "[ . 1 . 2]" 1
489 1 44 ALA MB 1 50 ALA HA . . 3.400 1.987 1.894 2.065 . 0 0 "[ . 1 . 2]" 1
490 1 44 ALA MB 1 50 ALA MB . . 4.320 2.601 2.177 2.935 . 0 0 "[ . 1 . 2]" 1
491 1 44 ALA MB 1 51 PHE H . . 5.500 4.905 4.754 5.096 . 0 0 "[ . 1 . 2]" 1
492 1 45 LYS H 1 45 LYS QB . . 3.050 2.775 2.461 3.110 0.060 14 0 "[ . 1 . 2]" 1
493 1 45 LYS H 1 45 LYS QD . . 5.330 4.554 3.949 4.862 . 0 0 "[ . 1 . 2]" 1
494 1 45 LYS H 1 45 LYS QG . . 4.480 4.241 3.984 4.429 . 0 0 "[ . 1 . 2]" 1
495 1 45 LYS H 1 46 ASP H . . 3.920 2.663 1.999 3.910 . 0 0 "[ . 1 . 2]" 1
496 1 45 LYS H 1 50 ALA MB . . 5.500 3.016 2.229 4.975 . 0 0 "[ . 1 . 2]" 1
497 1 45 LYS HA 1 45 LYS QB . . 2.410 2.391 2.322 2.494 0.084 10 0 "[ . 1 . 2]" 1
498 1 45 LYS HA 1 45 LYS QD . . 3.080 2.592 2.055 3.175 0.095 15 0 "[ . 1 . 2]" 1
499 1 45 LYS HA 1 45 LYS QG . . 3.100 2.682 2.166 3.154 0.054 18 0 "[ . 1 . 2]" 1
500 1 45 LYS HA 1 46 ASP H . . 3.460 3.537 3.530 3.549 0.089 8 0 "[ . 1 . 2]" 1
501 1 45 LYS QB 1 45 LYS QG . . 2.400 2.019 1.989 2.051 . 0 0 "[ . 1 . 2]" 1
502 1 45 LYS QB 1 46 ASP H . . 3.140 2.219 2.018 2.575 . 0 0 "[ . 1 . 2]" 1
503 1 45 LYS QD 1 45 LYS QE . . 2.400 2.082 2.004 2.123 . 0 0 "[ . 1 . 2]" 1
504 1 45 LYS QD 1 46 ASP H . . 5.300 3.959 2.828 5.014 . 0 0 "[ . 1 . 2]" 1
505 1 45 LYS QG 1 46 ASP H . . 4.240 3.553 2.753 4.321 0.081 15 0 "[ . 1 . 2]" 1
506 1 46 ASP H 1 46 ASP HB2 . . 3.920 2.983 2.375 3.397 . 0 0 "[ . 1 . 2]" 1
507 1 46 ASP H 1 46 ASP HB3 . . 4.000 3.310 2.774 3.871 . 0 0 "[ . 1 . 2]" 1
508 1 46 ASP H 1 47 THR HA . . 4.980 4.760 4.478 5.026 0.046 8 0 "[ . 1 . 2]" 1
509 1 46 ASP H 1 48 THR H . . 5.320 4.692 4.319 5.177 . 0 0 "[ . 1 . 2]" 1
510 1 46 ASP H 1 49 GLU H . . 4.760 4.034 3.669 4.822 0.062 3 0 "[ . 1 . 2]" 1
511 1 46 ASP H 1 50 ALA H . . 4.850 3.089 2.745 3.769 . 0 0 "[ . 1 . 2]" 1
512 1 46 ASP H 1 50 ALA MB . . 5.110 3.066 2.747 3.340 . 0 0 "[ . 1 . 2]" 1
513 1 46 ASP HB2 1 47 THR H . . 4.980 4.050 3.387 4.434 . 0 0 "[ . 1 . 2]" 1
514 1 46 ASP HB2 1 48 THR H . . 4.620 4.268 3.485 4.705 0.085 13 0 "[ . 1 . 2]" 1
515 1 46 ASP HB2 1 49 GLU H . . 4.560 3.978 2.931 4.628 0.068 14 0 "[ . 1 . 2]" 1
516 1 46 ASP HB3 1 47 THR H . . 4.860 3.096 1.976 3.729 . 0 0 "[ . 1 . 2]" 1
517 1 46 ASP HB3 1 47 THR HB . . 5.210 4.868 4.211 5.290 0.080 10 0 "[ . 1 . 2]" 1
518 1 46 ASP HB3 1 48 THR H . . 4.440 2.818 2.253 3.310 . 0 0 "[ . 1 . 2]" 1
519 1 46 ASP HB3 1 49 GLU H . . 4.220 3.191 2.626 4.284 0.064 10 0 "[ . 1 . 2]" 1
520 1 46 ASP HB3 1 49 GLU QB . . 5.210 3.683 2.488 4.466 . 0 0 "[ . 1 . 2]" 1
521 1 46 ASP HB3 1 50 ALA MB . . 4.890 4.829 4.207 4.996 0.106 4 0 "[ . 1 . 2]" 1
522 1 47 THR H 1 48 THR HA . . 5.500 5.451 4.666 5.566 0.066 10 0 "[ . 1 . 2]" 1
523 1 47 THR HA 1 47 THR MG . . 2.970 2.445 2.229 2.649 . 0 0 "[ . 1 . 2]" 1
524 1 47 THR HA 1 50 ALA MB . . 3.750 2.567 2.120 2.956 . 0 0 "[ . 1 . 2]" 1
525 1 47 THR HB 1 48 THR H . . 3.830 2.984 2.565 3.509 . 0 0 "[ . 1 . 2]" 1
526 1 47 THR MG 1 48 THR H . . 3.910 3.822 3.645 3.990 0.080 1 0 "[ . 1 . 2]" 1
527 1 47 THR MG 1 51 PHE QB . . 5.500 3.787 3.028 5.290 . 0 0 "[ . 1 . 2]" 1
528 1 48 THR H 1 48 THR HB . . 3.970 2.464 2.234 2.650 . 0 0 "[ . 1 . 2]" 1
529 1 48 THR H 1 48 THR MG . . 3.800 3.728 3.606 3.810 0.010 13 0 "[ . 1 . 2]" 1
530 1 48 THR H 1 49 GLU H . . 3.710 2.952 2.604 3.208 . 0 0 "[ . 1 . 2]" 1
531 1 48 THR H 1 50 ALA H . . 5.200 3.924 3.666 4.099 . 0 0 "[ . 1 . 2]" 1
532 1 48 THR HA 1 48 THR MG . . 2.580 2.395 2.293 2.533 . 0 0 "[ . 1 . 2]" 1
533 1 48 THR HA 1 49 GLU H . . 3.570 3.604 3.560 3.633 0.063 3 0 "[ . 1 . 2]" 1
534 1 48 THR HA 1 51 PHE QB . . 4.300 4.017 2.809 4.277 . 0 0 "[ . 1 . 2]" 1
535 1 48 THR HA 1 52 GLU QB . . 5.500 4.643 4.444 4.910 . 0 0 "[ . 1 . 2]" 1
536 1 48 THR HB 1 49 GLU H . . 4.530 2.091 1.799 2.375 . 0 0 "[ . 1 . 2]" 1
537 1 48 THR HB 1 49 GLU QG . . 4.820 3.851 2.663 4.892 0.072 2 0 "[ . 1 . 2]" 1
538 1 48 THR MG 1 49 GLU H . . 2.980 2.915 2.546 3.078 0.098 2 0 "[ . 1 . 2]" 1
539 1 48 THR MG 1 49 GLU HA . . 3.500 3.326 2.911 3.584 0.084 16 0 "[ . 1 . 2]" 1
540 1 48 THR MG 1 51 PHE QD . . 4.330 3.872 3.192 4.386 0.056 9 0 "[ . 1 . 2]" 1
541 1 48 THR MG 1 51 PHE QE . . 5.010 4.036 2.918 4.948 . 0 0 "[ . 1 . 2]" 1
542 1 48 THR MG 1 52 GLU QB . . 5.100 3.692 3.343 3.950 . 0 0 "[ . 1 . 2]" 1
543 1 48 THR MG 1 52 GLU HG2 . . 4.070 3.898 3.350 4.164 0.094 7 0 "[ . 1 . 2]" 1
544 1 48 THR MG 1 52 GLU HG3 . . 3.670 2.821 2.256 3.342 . 0 0 "[ . 1 . 2]" 1
545 1 49 GLU H 1 49 GLU QB . . 3.260 2.264 1.966 2.744 . 0 0 "[ . 1 . 2]" 1
546 1 49 GLU H 1 49 GLU QG . . 3.640 2.781 1.974 3.710 0.070 16 0 "[ . 1 . 2]" 1
547 1 49 GLU H 1 50 ALA H . . 3.900 2.839 2.594 3.166 . 0 0 "[ . 1 . 2]" 1
548 1 49 GLU HA 1 49 GLU QG . . 3.040 2.333 2.104 2.636 . 0 0 "[ . 1 . 2]" 1
549 1 49 GLU HA 1 52 GLU H . . 3.920 3.759 3.478 3.976 0.056 19 0 "[ . 1 . 2]" 1
550 1 49 GLU QB 1 49 GLU QG . . 2.400 2.083 1.988 2.128 . 0 0 "[ . 1 . 2]" 1
551 1 49 GLU QG 1 84 LEU QD . . 5.500 2.522 1.963 4.533 . 0 0 "[ . 1 . 2]" 1
552 1 49 GLU QG 1 84 LEU HG . . 5.500 3.470 2.310 5.110 . 0 0 "[ . 1 . 2]" 1
553 1 50 ALA H 1 50 ALA MB . . 3.060 2.100 2.027 2.161 . 0 0 "[ . 1 . 2]" 1
554 1 50 ALA H 1 51 PHE H . . 3.380 2.999 2.662 3.222 . 0 0 "[ . 1 . 2]" 1
555 1 50 ALA H 1 51 PHE QB . . 5.500 4.730 4.121 5.019 . 0 0 "[ . 1 . 2]" 1
556 1 50 ALA H 1 52 GLU H . . 5.310 3.930 3.816 4.129 . 0 0 "[ . 1 . 2]" 1
557 1 50 ALA H 1 52 GLU QB . . 4.150 4.243 4.232 4.260 0.110 3 0 "[ . 1 . 2]" 1
558 1 50 ALA HA 1 52 GLU QB . . 4.910 4.931 4.774 5.008 0.098 18 0 "[ . 1 . 2]" 1
559 1 50 ALA HA 1 54 MET H . . 5.280 4.388 4.176 4.699 . 0 0 "[ . 1 . 2]" 1
560 1 50 ALA MB 1 51 PHE H . . 3.090 1.921 1.840 2.089 . 0 0 "[ . 1 . 2]" 1
561 1 50 ALA MB 1 51 PHE QB . . 4.960 3.388 3.261 3.572 . 0 0 "[ . 1 . 2]" 1
562 1 50 ALA MB 1 52 GLU H . . 4.370 4.087 3.957 4.269 . 0 0 "[ . 1 . 2]" 1
563 1 51 PHE H 1 51 PHE QB . . 3.810 2.139 2.063 2.238 . 0 0 "[ . 1 . 2]" 1
564 1 51 PHE H 1 52 GLU H . . 3.990 2.903 2.733 3.073 . 0 0 "[ . 1 . 2]" 1
565 1 51 PHE H 1 52 GLU QB . . 4.880 4.568 4.352 4.763 . 0 0 "[ . 1 . 2]" 1
566 1 51 PHE H 1 54 MET H . . 4.670 4.691 4.554 4.752 0.082 15 0 "[ . 1 . 2]" 1
567 1 51 PHE HA 1 51 PHE QD . . 3.530 3.312 3.169 3.515 . 0 0 "[ . 1 . 2]" 1
568 1 51 PHE HA 1 54 MET H . . 4.000 3.107 2.929 3.337 . 0 0 "[ . 1 . 2]" 1
569 1 51 PHE HA 1 54 MET HB2 . . 4.240 3.478 2.143 3.942 . 0 0 "[ . 1 . 2]" 1
570 1 51 PHE HA 1 54 MET HB3 . . 4.290 2.120 1.918 2.407 . 0 0 "[ . 1 . 2]" 1
571 1 51 PHE HA 1 54 MET QG . . 5.430 3.355 2.654 4.027 . 0 0 "[ . 1 . 2]" 1
572 1 51 PHE HA 1 55 VAL QG . . 4.820 4.200 3.883 4.484 . 0 0 "[ . 1 . 2]" 1
573 1 51 PHE QB 1 52 GLU H . . 4.460 3.283 2.691 3.451 . 0 0 "[ . 1 . 2]" 1
574 1 51 PHE QD 1 52 GLU HA . . 5.020 3.876 3.460 4.230 . 0 0 "[ . 1 . 2]" 1
575 1 51 PHE QD 1 52 GLU QB . . 4.710 4.127 3.783 4.499 . 0 0 "[ . 1 . 2]" 1
576 1 51 PHE QD 1 54 MET HB3 . . 5.500 4.260 3.367 4.899 . 0 0 "[ . 1 . 2]" 1
577 1 51 PHE QD 1 54 MET QG . . 4.270 3.426 2.716 4.345 0.075 10 0 "[ . 1 . 2]" 1
578 1 51 PHE QD 1 55 VAL HB . . 5.500 5.235 4.634 5.592 0.092 11 0 "[ . 1 . 2]" 1
579 1 51 PHE QD 1 55 VAL QG . . 3.200 2.875 2.598 3.064 . 0 0 "[ . 1 . 2]" 1
580 1 51 PHE QE 1 52 GLU HA . . 4.960 3.685 2.997 4.019 . 0 0 "[ . 1 . 2]" 1
581 1 51 PHE QE 1 52 GLU QB . . 5.110 4.490 4.052 4.920 . 0 0 "[ . 1 . 2]" 1
582 1 51 PHE QE 1 52 GLU HG2 . . 3.450 2.733 2.102 3.508 0.058 16 0 "[ . 1 . 2]" 1
583 1 51 PHE QE 1 52 GLU HG3 . . 3.450 2.971 2.181 3.541 0.091 14 0 "[ . 1 . 2]" 1
584 1 51 PHE QE 1 55 VAL QG . . 4.790 2.333 2.054 2.679 . 0 0 "[ . 1 . 2]" 1
585 1 51 PHE QE 1 85 GLN QG . . 4.630 4.565 4.159 4.748 0.118 3 0 "[ . 1 . 2]" 1
586 1 51 PHE HZ 1 52 GLU HA . . 4.310 4.285 3.981 4.389 0.079 16 0 "[ . 1 . 2]" 1
587 1 51 PHE HZ 1 52 GLU HG2 . . 5.000 4.052 3.279 4.749 . 0 0 "[ . 1 . 2]" 1
588 1 51 PHE HZ 1 55 VAL HB . . 5.410 5.183 4.481 5.478 0.068 9 0 "[ . 1 . 2]" 1
589 1 51 PHE HZ 1 55 VAL QG . . 3.860 3.277 2.459 3.825 . 0 0 "[ . 1 . 2]" 1
590 1 51 PHE HZ 1 85 GLN QG . . 5.150 4.749 3.897 5.221 0.071 14 0 "[ . 1 . 2]" 1
591 1 52 GLU H 1 52 GLU QB . . 3.100 2.177 2.105 2.339 . 0 0 "[ . 1 . 2]" 1
592 1 52 GLU H 1 52 GLU HG2 . . 3.400 3.250 2.643 3.480 0.080 10 0 "[ . 1 . 2]" 1
593 1 52 GLU H 1 52 GLU HG3 . . 3.340 2.521 2.160 3.087 . 0 0 "[ . 1 . 2]" 1
594 1 52 GLU H 1 53 LYS H . . 4.030 2.914 2.757 3.019 . 0 0 "[ . 1 . 2]" 1
595 1 52 GLU HA 1 52 GLU HG2 . . 3.410 2.212 2.095 2.474 . 0 0 "[ . 1 . 2]" 1
596 1 52 GLU HA 1 52 GLU HG3 . . 3.560 3.093 2.763 3.580 0.020 8 0 "[ . 1 . 2]" 1
597 1 52 GLU HA 1 55 VAL H . . 5.050 3.634 3.180 4.128 . 0 0 "[ . 1 . 2]" 1
598 1 52 GLU HA 1 55 VAL HB . . 4.050 3.590 3.079 4.169 0.119 19 0 "[ . 1 . 2]" 1
599 1 52 GLU HA 1 55 VAL QG . . 4.300 3.076 1.762 3.800 . 0 0 "[ . 1 . 2]" 1
600 1 52 GLU HA 1 85 GLN QG . . 4.490 2.842 2.198 3.757 . 0 0 "[ . 1 . 2]" 1
601 1 52 GLU QB 1 85 GLN HA . . 4.370 2.184 1.927 2.810 . 0 0 "[ . 1 . 2]" 1
602 1 52 GLU HG2 1 85 GLN HA . . 4.320 3.918 2.839 4.423 0.103 8 0 "[ . 1 . 2]" 1
603 1 52 GLU HG2 1 85 GLN QG . . 3.990 2.964 2.139 4.065 0.075 18 0 "[ . 1 . 2]" 1
604 1 53 LYS H 1 53 LYS QB . . 3.420 2.220 2.091 2.353 . 0 0 "[ . 1 . 2]" 1
605 1 53 LYS H 1 54 MET H . . 3.960 2.637 2.366 2.790 . 0 0 "[ . 1 . 2]" 1
606 1 53 LYS H 1 54 MET HB3 . . 4.430 4.499 4.483 4.551 0.121 10 0 "[ . 1 . 2]" 1
607 1 53 LYS QB 1 54 MET H . . 3.780 2.936 2.745 3.138 . 0 0 "[ . 1 . 2]" 1
608 1 54 MET H 1 54 MET HB2 . . 3.930 3.212 2.404 3.456 . 0 0 "[ . 1 . 2]" 1
609 1 54 MET H 1 54 MET HB3 . . 3.880 2.148 2.077 2.547 . 0 0 "[ . 1 . 2]" 1
610 1 54 MET H 1 54 MET QG . . 4.030 3.544 3.152 4.072 0.042 6 0 "[ . 1 . 2]" 1
611 1 54 MET H 1 55 VAL QG . . 4.400 4.019 3.341 4.332 . 0 0 "[ . 1 . 2]" 1
612 1 54 MET H 1 57 LEU QD . . 3.860 3.802 3.597 3.861 0.001 8 0 "[ . 1 . 2]" 1
613 1 54 MET HA 1 57 LEU QD . . 3.720 1.890 1.836 1.984 . 0 0 "[ . 1 . 2]" 1
614 1 54 MET HB2 1 55 VAL H . . 4.620 4.345 3.716 4.610 . 0 0 "[ . 1 . 2]" 1
615 1 54 MET HB2 1 55 VAL QG . . 5.010 4.702 4.205 4.949 . 0 0 "[ . 1 . 2]" 1
616 1 54 MET QG 1 55 VAL H . . 3.500 2.963 2.518 3.595 0.095 2 0 "[ . 1 . 2]" 1
617 1 54 MET QG 1 55 VAL HA . . 5.500 3.475 3.206 3.872 . 0 0 "[ . 1 . 2]" 1
618 1 54 MET QG 1 55 VAL QG . . 3.440 2.522 2.077 3.482 0.042 2 0 "[ . 1 . 2]" 1
619 1 54 MET QG 1 56 SER H . . 5.500 4.864 4.463 5.432 . 0 0 "[ . 1 . 2]" 1
620 1 54 MET QG 1 57 LEU QD . . 4.450 3.414 3.106 3.694 . 0 0 "[ . 1 . 2]" 1
621 1 54 MET QG 1 58 LEU H . . 5.500 5.433 4.958 5.605 0.105 12 0 "[ . 1 . 2]" 1
622 1 55 VAL H 1 55 VAL HB . . 3.600 2.558 2.130 3.509 . 0 0 "[ . 1 . 2]" 1
623 1 55 VAL H 1 55 VAL QG . . 3.020 2.281 1.677 2.572 . 0 0 "[ . 1 . 2]" 1
624 1 55 VAL H 1 56 SER H . . 3.730 2.341 2.026 2.668 . 0 0 "[ . 1 . 2]" 1
625 1 55 VAL H 1 57 LEU QD . . 4.670 4.138 3.405 4.374 . 0 0 "[ . 1 . 2]" 1
626 1 55 VAL HA 1 55 VAL QG . . 3.010 2.156 2.073 2.263 . 0 0 "[ . 1 . 2]" 1
627 1 55 VAL HA 1 57 LEU H . . 5.500 4.823 4.622 5.282 . 0 0 "[ . 1 . 2]" 1
628 1 55 VAL HA 1 57 LEU QD . . 5.500 4.129 3.126 4.531 . 0 0 "[ . 1 . 2]" 1
629 1 55 VAL HA 1 58 LEU H . . 4.840 3.794 3.464 4.114 . 0 0 "[ . 1 . 2]" 1
630 1 55 VAL HA 1 59 SER H . . 4.680 4.612 4.060 4.762 0.082 7 0 "[ . 1 . 2]" 1
631 1 55 VAL HA 1 59 SER QB . . 5.460 5.415 4.581 5.552 0.092 16 0 "[ . 1 . 2]" 1
632 1 55 VAL HB 1 56 SER H . . 3.730 3.051 2.654 3.809 0.079 3 0 "[ . 1 . 2]" 1
633 1 55 VAL QG 1 56 SER H . . 4.120 3.249 2.343 3.562 . 0 0 "[ . 1 . 2]" 1
634 1 55 VAL QG 1 56 SER HA . . 4.200 3.675 2.983 4.128 . 0 0 "[ . 1 . 2]" 1
635 1 56 SER H 1 56 SER QB . . 3.370 2.262 1.938 2.873 . 0 0 "[ . 1 . 2]" 1
636 1 56 SER H 1 57 LEU H . . 3.860 2.927 2.680 3.214 . 0 0 "[ . 1 . 2]" 1
637 1 56 SER H 1 57 LEU QD . . 4.250 3.993 3.001 4.152 . 0 0 "[ . 1 . 2]" 1
638 1 56 SER H 1 58 LEU H . . 5.110 4.407 4.097 4.692 . 0 0 "[ . 1 . 2]" 1
639 1 56 SER HA 1 57 LEU HG . . 4.860 4.958 4.947 4.971 0.111 12 0 "[ . 1 . 2]" 1
640 1 56 SER HA 1 59 SER QB . . 4.700 2.754 2.263 3.573 . 0 0 "[ . 1 . 2]" 1
641 1 56 SER HA 1 78 LEU QB . . 4.650 4.461 4.065 4.598 . 0 0 "[ . 1 . 2]" 1
642 1 56 SER HA 1 78 LEU QD . . 3.930 2.851 2.293 3.595 . 0 0 "[ . 1 . 2]" 1
643 1 56 SER QB 1 57 LEU H . . 3.440 2.707 1.837 3.540 0.100 13 0 "[ . 1 . 2]" 1
644 1 56 SER QB 1 78 LEU QD . . 4.340 3.465 2.594 4.330 . 0 0 "[ . 1 . 2]" 1
645 1 57 LEU H 1 57 LEU HB3 . . 4.060 3.101 2.955 3.305 . 0 0 "[ . 1 . 2]" 1
646 1 57 LEU H 1 57 LEU QD . . 3.180 2.505 2.110 2.724 . 0 0 "[ . 1 . 2]" 1
647 1 57 LEU H 1 57 LEU HG . . 4.000 1.904 1.596 2.066 . 0 0 "[ . 1 . 2]" 1
648 1 57 LEU H 1 58 LEU H . . 3.940 2.988 2.673 3.305 . 0 0 "[ . 1 . 2]" 1
649 1 57 LEU H 1 58 LEU QD . . 5.050 4.932 4.798 4.991 . 0 0 "[ . 1 . 2]" 1
650 1 57 LEU HA 1 60 VAL QG . . 2.670 2.299 2.001 2.632 . 0 0 "[ . 1 . 2]" 1
651 1 57 LEU HB2 1 58 LEU QD . . 3.750 2.905 2.785 2.983 . 0 0 "[ . 1 . 2]" 1
652 1 57 LEU HB3 1 58 LEU H . . 5.400 4.033 3.938 4.121 . 0 0 "[ . 1 . 2]" 1
653 1 57 LEU HB3 1 58 LEU QD . . 4.300 4.344 4.263 4.363 0.063 17 0 "[ . 1 . 2]" 1
654 1 57 LEU QD 1 58 LEU H . . 3.760 2.537 1.737 3.056 . 0 0 "[ . 1 . 2]" 1
655 1 57 LEU QD 1 58 LEU QD . . 4.290 2.079 1.911 2.314 . 0 0 "[ . 1 . 2]" 1
656 1 58 LEU H 1 61 LEU H . . 5.500 4.779 4.629 5.012 . 0 0 "[ . 1 . 2]" 1
657 1 58 LEU HA 1 58 LEU QD . . 3.730 2.108 1.993 2.316 . 0 0 "[ . 1 . 2]" 1
658 1 58 LEU HA 1 60 VAL H . . 4.260 4.228 3.551 4.346 0.086 17 0 "[ . 1 . 2]" 1
659 1 58 LEU HA 1 61 LEU H . . 3.950 3.215 3.004 3.408 . 0 0 "[ . 1 . 2]" 1
660 1 58 LEU HA 1 61 LEU QB . . 4.540 2.096 1.985 2.544 . 0 0 "[ . 1 . 2]" 1
661 1 58 LEU HA 1 61 LEU MD1 . . 4.020 2.631 2.384 3.381 . 0 0 "[ . 1 . 2]" 1
662 1 58 LEU HA 1 61 LEU HG . . 3.980 3.414 2.931 3.835 . 0 0 "[ . 1 . 2]" 1
663 1 58 LEU HA 1 62 LEU H . . 4.350 3.866 3.499 4.209 . 0 0 "[ . 1 . 2]" 1
664 1 58 LEU QD 1 61 LEU QB . . 3.910 2.955 2.608 3.340 . 0 0 "[ . 1 . 2]" 1
665 1 58 LEU QD 1 61 LEU MD1 . . 3.360 2.583 2.086 3.122 . 0 0 "[ . 1 . 2]" 1
666 1 58 LEU QD 1 61 LEU HG . . 4.320 2.774 2.230 3.256 . 0 0 "[ . 1 . 2]" 1
667 1 59 SER H 1 59 SER QB . . 3.480 2.294 2.085 2.655 . 0 0 "[ . 1 . 2]" 1
668 1 59 SER H 1 60 VAL H . . 3.770 2.646 2.433 2.959 . 0 0 "[ . 1 . 2]" 1
669 1 59 SER H 1 60 VAL HA . . 5.500 5.310 5.091 5.487 . 0 0 "[ . 1 . 2]" 1
670 1 59 SER H 1 61 LEU H . . 4.950 4.082 3.922 4.443 . 0 0 "[ . 1 . 2]" 1
671 1 59 SER HA 1 60 VAL H . . 3.410 3.491 3.413 3.506 0.096 10 0 "[ . 1 . 2]" 1
672 1 59 SER HA 1 70 ILE MG . . 3.760 3.605 3.263 3.860 0.100 19 0 "[ . 1 . 2]" 1
673 1 59 SER QB 1 60 VAL H . . 4.560 2.818 2.284 3.548 . 0 0 "[ . 1 . 2]" 1
674 1 60 VAL H 1 60 VAL HB . . 2.970 2.760 2.439 3.051 0.081 10 0 "[ . 1 . 2]" 1
675 1 60 VAL H 1 60 VAL QG . . 2.680 2.108 1.866 2.438 . 0 0 "[ . 1 . 2]" 1
676 1 60 VAL H 1 61 LEU H . . 3.520 2.538 1.936 2.729 . 0 0 "[ . 1 . 2]" 1
677 1 60 VAL H 1 61 LEU QB . . 4.330 4.019 3.484 4.186 . 0 0 "[ . 1 . 2]" 1
678 1 60 VAL H 1 70 ILE MG . . 5.330 5.269 4.823 5.428 0.098 12 0 "[ . 1 . 2]" 1
679 1 60 VAL HA 1 60 VAL QG . . 2.870 2.243 2.135 2.336 . 0 0 "[ . 1 . 2]" 1
680 1 60 VAL HA 1 63 SER H . . 5.020 3.820 3.244 4.373 . 0 0 "[ . 1 . 2]" 1
681 1 60 VAL HA 1 70 ILE MG . . 4.440 4.161 3.402 4.529 0.089 16 0 "[ . 1 . 2]" 1
682 1 60 VAL QG 1 61 LEU H . . 3.230 2.621 2.239 3.232 0.002 20 0 "[ . 1 . 2]" 1
683 1 60 VAL QG 1 61 LEU QB . . 4.440 3.382 3.056 4.004 . 0 0 "[ . 1 . 2]" 1
684 1 61 LEU H 1 61 LEU QB . . 3.540 2.008 1.897 2.129 . 0 0 "[ . 1 . 2]" 1
685 1 61 LEU H 1 61 LEU MD1 . . 3.550 3.634 3.480 3.680 0.130 20 0 "[ . 1 . 2]" 1
686 1 61 LEU H 1 62 LEU H . . 3.920 2.664 2.007 2.876 . 0 0 "[ . 1 . 2]" 1
687 1 61 LEU HA 1 61 LEU MD2 . . 3.020 2.657 2.225 2.784 . 0 0 "[ . 1 . 2]" 1
688 1 61 LEU QB 1 62 LEU H . . 4.360 3.061 2.757 3.281 . 0 0 "[ . 1 . 2]" 1
689 1 61 LEU QB 1 63 SER H . . 5.500 4.711 4.536 4.813 . 0 0 "[ . 1 . 2]" 1
690 1 61 LEU MD1 1 62 LEU H . . 3.330 2.904 2.755 3.157 . 0 0 "[ . 1 . 2]" 1
691 1 61 LEU MD1 1 62 LEU HA . . 2.840 2.597 2.452 2.777 . 0 0 "[ . 1 . 2]" 1
692 1 61 LEU MD1 1 63 SER H . . 4.360 4.427 4.295 4.459 0.099 19 0 "[ . 1 . 2]" 1
693 1 61 LEU MD1 1 64 MET HG2 . . 5.500 4.166 3.939 4.334 . 0 0 "[ . 1 . 2]" 1
694 1 61 LEU MD1 1 64 MET HG3 . . 5.500 3.989 3.668 4.288 . 0 0 "[ . 1 . 2]" 1
695 1 61 LEU MD1 1 65 GLN H . . 3.680 3.650 3.516 3.766 0.086 7 0 "[ . 1 . 2]" 1
696 1 61 LEU MD1 1 65 GLN HB2 . . 4.270 2.454 2.139 3.325 . 0 0 "[ . 1 . 2]" 1
697 1 61 LEU MD1 1 65 GLN HG2 . . 3.800 2.964 2.224 3.882 0.082 1 0 "[ . 1 . 2]" 1
698 1 61 LEU MD1 1 65 GLN HG3 . . 5.500 2.647 2.135 3.147 . 0 0 "[ . 1 . 2]" 1
699 1 61 LEU MD2 1 63 SER H . . 5.500 4.894 4.551 5.129 . 0 0 "[ . 1 . 2]" 1
700 1 61 LEU MD2 1 64 MET HG2 . . 3.030 2.669 2.462 3.014 . 0 0 "[ . 1 . 2]" 1
701 1 61 LEU MD2 1 64 MET HG3 . . 3.040 2.478 2.229 3.142 0.102 2 0 "[ . 1 . 2]" 1
702 1 61 LEU MD2 1 65 GLN HG3 . . 5.500 4.040 3.381 4.680 . 0 0 "[ . 1 . 2]" 1
703 1 62 LEU H 1 63 SER H . . 4.390 2.708 2.432 3.016 . 0 0 "[ . 1 . 2]" 1
704 1 62 LEU H 1 67 ALA MB . . 4.640 4.722 4.597 4.754 0.114 1 0 "[ . 1 . 2]" 1
705 1 62 LEU HA 1 65 GLN H . . 4.880 3.175 2.725 3.496 . 0 0 "[ . 1 . 2]" 1
706 1 62 LEU HA 1 65 GLN HA . . 4.870 4.739 4.476 4.878 0.008 3 0 "[ . 1 . 2]" 1
707 1 62 LEU HA 1 65 GLN HB2 . . 4.380 2.146 1.918 2.456 . 0 0 "[ . 1 . 2]" 1
708 1 62 LEU HA 1 65 GLN HB3 . . 4.150 2.663 2.068 3.625 . 0 0 "[ . 1 . 2]" 1
709 1 62 LEU HA 1 65 GLN HG2 . . 4.420 4.179 3.172 4.509 0.089 1 0 "[ . 1 . 2]" 1
710 1 62 LEU HA 1 67 ALA MB . . 4.570 3.896 3.435 4.279 . 0 0 "[ . 1 . 2]" 1
711 1 63 SER H 1 64 MET H . . 4.030 2.886 2.616 3.087 . 0 0 "[ . 1 . 2]" 1
712 1 63 SER H 1 64 MET HG3 . . 5.270 5.312 5.023 5.347 0.077 20 0 "[ . 1 . 2]" 1
713 1 63 SER H 1 67 ALA MB . . 4.440 3.603 3.148 4.045 . 0 0 "[ . 1 . 2]" 1
714 1 63 SER H 1 70 ILE MG . . 5.500 3.711 3.050 4.493 . 0 0 "[ . 1 . 2]" 1
715 1 63 SER HA 1 67 ALA H . . 3.780 2.746 2.073 3.797 0.017 12 0 "[ . 1 . 2]" 1
716 1 63 SER HA 1 67 ALA HA . . 5.180 4.391 4.023 5.040 . 0 0 "[ . 1 . 2]" 1
717 1 63 SER HA 1 67 ALA MB . . 3.360 2.393 1.870 3.321 . 0 0 "[ . 1 . 2]" 1
718 1 63 SER HA 1 70 ILE MG . . 4.140 3.601 2.848 4.240 0.100 11 0 "[ . 1 . 2]" 1
719 1 63 SER QB 1 64 MET H . . 3.270 2.371 2.067 3.325 0.055 12 0 "[ . 1 . 2]" 1
720 1 64 MET H 1 64 MET QB . . 2.970 2.625 2.434 3.049 0.079 12 0 "[ . 1 . 2]" 1
721 1 64 MET H 1 64 MET HG2 . . 3.070 2.097 1.844 2.459 . 0 0 "[ . 1 . 2]" 1
722 1 64 MET H 1 64 MET HG3 . . 3.950 3.216 2.841 3.458 . 0 0 "[ . 1 . 2]" 1
723 1 64 MET H 1 67 ALA H . . 4.530 4.603 4.576 4.617 0.087 16 0 "[ . 1 . 2]" 1
724 1 64 MET HA 1 64 MET HG2 . . 3.730 3.762 3.722 3.821 0.091 15 0 "[ . 1 . 2]" 1
725 1 64 MET HA 1 67 ALA H . . 4.620 4.619 4.443 4.703 0.083 4 0 "[ . 1 . 2]" 1
726 1 64 MET QB 1 64 MET HG2 . . 2.730 2.351 2.221 2.414 . 0 0 "[ . 1 . 2]" 1
727 1 64 MET QB 1 64 MET HG3 . . 2.800 2.413 2.354 2.505 . 0 0 "[ . 1 . 2]" 1
728 1 64 MET QB 1 66 GLY H . . 4.790 4.826 4.610 4.891 0.101 5 0 "[ . 1 . 2]" 1
729 1 64 MET HG3 1 65 GLN H . . 3.090 2.509 1.879 2.774 . 0 0 "[ . 1 . 2]" 1
730 1 64 MET HG3 1 65 GLN HA . . 3.230 3.321 3.316 3.329 0.099 2 0 "[ . 1 . 2]" 1
731 1 64 MET HG3 1 65 GLN HG2 . . 5.210 4.053 2.661 5.033 . 0 0 "[ . 1 . 2]" 1
732 1 65 GLN H 1 66 GLY H . . 3.970 2.667 2.430 3.010 . 0 0 "[ . 1 . 2]" 1
733 1 65 GLN H 1 67 ALA H . . 4.860 4.048 3.729 4.748 . 0 0 "[ . 1 . 2]" 1
734 1 65 GLN HA 1 65 GLN HG2 . . 3.880 2.555 2.318 2.826 . 0 0 "[ . 1 . 2]" 1
735 1 65 GLN HB3 1 66 GLY H . . 5.100 3.231 2.666 3.836 . 0 0 "[ . 1 . 2]" 1
736 1 65 GLN HB3 1 67 ALA H . . 4.630 4.507 3.745 5.527 0.897 12 3 "[ - . 1 + . *]" 1
737 1 66 GLY H 1 67 ALA MB . . 5.010 3.735 3.542 4.039 . 0 0 "[ . 1 . 2]" 1
738 1 67 ALA H 1 67 ALA MB . . 3.200 2.519 2.287 2.716 . 0 0 "[ . 1 . 2]" 1
739 1 67 ALA MB 1 68 VAL H . . 4.380 3.135 1.760 3.776 . 0 0 "[ . 1 . 2]" 1
740 1 67 ALA MB 1 70 ILE H . . 4.080 3.652 2.815 4.187 0.107 10 0 "[ . 1 . 2]" 1
741 1 67 ALA MB 1 70 ILE HB . . 3.970 2.535 2.024 3.696 . 0 0 "[ . 1 . 2]" 1
742 1 68 VAL H 1 68 VAL HB . . 3.710 2.958 2.198 3.804 0.094 2 0 "[ . 1 . 2]" 1
743 1 68 VAL H 1 68 VAL QG . . 2.950 2.137 1.721 2.964 0.014 12 0 "[ . 1 . 2]" 1
744 1 68 VAL HA 1 68 VAL HB . . 2.930 2.427 2.194 2.527 . 0 0 "[ . 1 . 2]" 1
745 1 68 VAL QG 1 69 ASP HA . . 5.180 3.828 3.430 4.191 . 0 0 "[ . 1 . 2]" 1
746 1 68 VAL QG 1 69 ASP HB2 . . 5.500 3.289 2.451 4.439 . 0 0 "[ . 1 . 2]" 1
747 1 68 VAL QG 1 69 ASP HB3 . . 5.500 4.280 3.801 4.835 . 0 0 "[ . 1 . 2]" 1
748 1 69 ASP HA 1 70 ILE HA . . 4.970 4.284 3.928 5.053 0.083 3 0 "[ . 1 . 2]" 1
749 1 69 ASP HA 1 72 ARG H . . 4.410 4.454 4.218 4.500 0.090 8 0 "[ . 1 . 2]" 1
750 1 69 ASP HA 1 72 ARG QB . . 5.110 5.120 4.652 5.197 0.087 9 0 "[ . 1 . 2]" 1
751 1 69 ASP HA 1 73 LEU QD . . 5.100 2.945 2.007 4.037 . 0 0 "[ . 1 . 2]" 1
752 1 69 ASP HB2 1 70 ILE HB . . 5.500 5.107 3.332 5.583 0.083 17 0 "[ . 1 . 2]" 1
753 1 69 ASP HB2 1 73 LEU QD . . 3.420 2.960 2.225 3.385 . 0 0 "[ . 1 . 2]" 1
754 1 69 ASP HB3 1 70 ILE H . . 4.860 4.066 2.110 4.479 . 0 0 "[ . 1 . 2]" 1
755 1 69 ASP HB3 1 70 ILE HA . . 5.040 4.419 3.836 4.991 . 0 0 "[ . 1 . 2]" 1
756 1 69 ASP HB3 1 73 LEU QD . . 4.030 2.063 1.846 2.606 . 0 0 "[ . 1 . 2]" 1
757 1 70 ILE H 1 70 ILE HB . . 4.010 3.036 2.031 3.402 . 0 0 "[ . 1 . 2]" 1
758 1 70 ILE H 1 70 ILE MD . . 4.200 4.120 2.735 4.311 0.111 5 0 "[ . 1 . 2]" 1
759 1 70 ILE H 1 70 ILE MG . . 3.520 2.726 2.243 3.547 0.027 3 0 "[ . 1 . 2]" 1
760 1 70 ILE H 1 71 ASN HA . . 4.920 4.531 4.276 5.024 0.104 3 0 "[ . 1 . 2]" 1
761 1 70 ILE H 1 71 ASN QB . . 4.550 3.723 3.277 4.557 0.007 3 0 "[ . 1 . 2]" 1
762 1 70 ILE HA 1 70 ILE MD . . 3.300 2.183 2.000 3.034 . 0 0 "[ . 1 . 2]" 1
763 1 70 ILE HA 1 70 ILE MG . . 3.220 3.211 2.885 3.277 0.057 16 0 "[ . 1 . 2]" 1
764 1 70 ILE HA 1 71 ASN HA . . 5.160 4.616 4.376 4.925 . 0 0 "[ . 1 . 2]" 1
765 1 70 ILE HA 1 73 LEU QD . . 3.360 2.654 1.942 3.196 . 0 0 "[ . 1 . 2]" 1
766 1 70 ILE HA 1 74 CYS HB2 . . 3.760 3.084 2.362 3.840 0.080 17 0 "[ . 1 . 2]" 1
767 1 70 ILE HB 1 74 CYS HB2 . . 4.760 4.774 4.430 4.850 0.090 9 0 "[ . 1 . 2]" 1
768 1 70 ILE MD 1 74 CYS HB2 . . 5.390 2.941 2.128 5.088 . 0 0 "[ . 1 . 2]" 1
769 1 70 ILE QG 1 70 ILE MG . . 3.280 2.147 2.062 2.384 . 0 0 "[ . 1 . 2]" 1
770 1 70 ILE QG 1 74 CYS HA . . 5.220 4.821 4.025 5.313 0.093 3 0 "[ . 1 . 2]" 1
771 1 70 ILE QG 1 74 CYS HB3 . . 5.500 3.766 3.025 5.120 . 0 0 "[ . 1 . 2]" 1
772 1 70 ILE MG 1 71 ASN H . . 5.420 3.265 2.322 3.899 . 0 0 "[ . 1 . 2]" 1
773 1 70 ILE MG 1 71 ASN HA . . 4.980 3.680 2.828 4.281 . 0 0 "[ . 1 . 2]" 1
774 1 70 ILE MG 1 71 ASN QB . . 3.980 3.933 3.365 4.101 0.121 18 0 "[ . 1 . 2]" 1
775 1 71 ASN H 1 71 ASN QB . . 3.470 2.363 2.138 2.586 . 0 0 "[ . 1 . 2]" 1
776 1 71 ASN H 1 72 ARG H . . 5.420 2.763 2.135 3.590 . 0 0 "[ . 1 . 2]" 1
777 1 71 ASN HA 1 74 CYS H . . 4.460 4.064 3.791 4.248 . 0 0 "[ . 1 . 2]" 1
778 1 71 ASN HA 1 74 CYS HB2 . . 5.100 4.113 3.720 4.723 . 0 0 "[ . 1 . 2]" 1
779 1 71 ASN HA 1 74 CYS HB3 . . 4.050 3.357 2.665 3.918 . 0 0 "[ . 1 . 2]" 1
780 1 71 ASN HA 1 75 GLU H . . 4.560 4.392 4.112 4.638 0.078 16 0 "[ . 1 . 2]" 1
781 1 71 ASN QB 1 72 ARG H . . 3.290 2.290 2.168 2.503 . 0 0 "[ . 1 . 2]" 1
782 1 71 ASN QB 1 72 ARG HA . . 5.080 4.066 3.646 4.525 . 0 0 "[ . 1 . 2]" 1
783 1 71 ASN QB 1 72 ARG QB . . 4.400 4.205 3.937 4.504 0.104 6 0 "[ . 1 . 2]" 1
784 1 71 ASN QB 1 73 LEU QD . . 5.070 4.423 3.949 4.958 . 0 0 "[ . 1 . 2]" 1
785 1 72 ARG H 1 72 ARG QB . . 3.350 2.437 2.285 2.550 . 0 0 "[ . 1 . 2]" 1
786 1 72 ARG H 1 72 ARG HD2 . . 3.960 2.988 1.762 4.046 0.086 11 0 "[ . 1 . 2]" 1
787 1 72 ARG H 1 72 ARG HD3 . . 3.670 3.090 1.735 4.026 0.356 5 0 "[ . 1 . 2]" 1
788 1 72 ARG H 1 72 ARG HG2 . . 3.390 3.472 2.267 4.231 0.841 2 8 "[ + - ***1 * *. *2]" 1
789 1 72 ARG H 1 72 ARG HG3 . . 4.180 3.148 2.014 4.071 . 0 0 "[ . 1 . 2]" 1
790 1 72 ARG HA 1 72 ARG HD2 . . 4.590 3.608 2.076 4.661 0.071 17 0 "[ . 1 . 2]" 1
791 1 72 ARG HA 1 72 ARG HD3 . . 4.690 3.790 2.142 4.658 . 0 0 "[ . 1 . 2]" 1
792 1 72 ARG HA 1 72 ARG HG2 . . 3.320 3.319 2.869 3.412 0.092 6 0 "[ . 1 . 2]" 1
793 1 72 ARG HA 1 72 ARG HG3 . . 3.320 2.694 2.179 3.420 0.100 13 0 "[ . 1 . 2]" 1
794 1 72 ARG HA 1 75 GLU H . . 3.650 3.261 2.715 3.579 . 0 0 "[ . 1 . 2]" 1
795 1 72 ARG HA 1 75 GLU QB . . 2.820 2.847 2.261 2.930 0.110 8 0 "[ . 1 . 2]" 1
796 1 72 ARG HA 1 75 GLU HG2 . . 4.260 3.276 2.016 4.309 0.049 9 0 "[ . 1 . 2]" 1
797 1 72 ARG QB 1 72 ARG HD3 . . 3.370 2.751 2.066 3.693 0.323 16 0 "[ . 1 . 2]" 1
798 1 72 ARG QB 1 73 LEU HB3 . . 5.130 4.455 3.861 5.589 0.459 11 0 "[ . 1 . 2]" 1
799 1 72 ARG QB 1 73 LEU QD . . 3.530 2.661 2.086 3.313 . 0 0 "[ . 1 . 2]" 1
800 1 72 ARG QB 1 74 CYS H . . 4.200 4.275 4.179 4.311 0.111 7 0 "[ . 1 . 2]" 1
801 1 72 ARG HD2 1 72 ARG HG2 . . 2.970 2.879 2.410 3.040 0.070 9 0 "[ . 1 . 2]" 1
802 1 72 ARG HD2 1 72 ARG HG3 . . 2.400 2.501 2.224 2.994 0.594 16 1 "[ . 1 .+ 2]" 1
803 1 72 ARG HD3 1 72 ARG HG2 . . 2.790 2.570 2.309 3.046 0.256 15 0 "[ . 1 . 2]" 1
804 1 72 ARG HD3 1 73 LEU QD . . 5.190 4.489 2.799 6.105 0.915 16 1 "[ . 1 .+ 2]" 1
805 1 73 LEU H 1 73 LEU HG . . 3.520 3.157 2.409 3.607 0.087 3 0 "[ . 1 . 2]" 1
806 1 73 LEU HA 1 73 LEU HG . . 4.080 3.383 2.262 4.158 0.078 10 0 "[ . 1 . 2]" 1
807 1 73 LEU HB2 1 74 CYS H . . 4.850 4.091 2.949 4.527 . 0 0 "[ . 1 . 2]" 1
808 1 73 LEU QD 1 74 CYS H . . 4.670 3.494 2.476 4.113 . 0 0 "[ . 1 . 2]" 1
809 1 73 LEU HG 1 74 CYS H . . 5.070 4.136 3.115 5.161 0.091 6 0 "[ . 1 . 2]" 1
810 1 74 CYS H 1 74 CYS HB2 . . 3.620 2.756 2.543 2.974 . 0 0 "[ . 1 . 2]" 1
811 1 74 CYS H 1 74 CYS HB3 . . 3.630 2.827 2.651 3.021 . 0 0 "[ . 1 . 2]" 1
812 1 74 CYS H 1 75 GLU HG3 . . 4.510 4.125 3.353 4.568 0.058 4 0 "[ . 1 . 2]" 1
813 1 74 CYS H 1 78 LEU QD . . 4.050 4.096 3.913 4.131 0.081 2 0 "[ . 1 . 2]" 1
814 1 74 CYS HA 1 78 LEU QD . . 3.610 3.613 3.319 3.687 0.077 1 0 "[ . 1 . 2]" 1
815 1 74 CYS HB2 1 75 GLU H . . 4.400 4.056 3.575 4.351 . 0 0 "[ . 1 . 2]" 1
816 1 74 CYS HB2 1 78 LEU QD . . 5.500 3.685 3.460 4.045 . 0 0 "[ . 1 . 2]" 1
817 1 74 CYS HB3 1 75 GLU H . . 4.070 3.199 2.673 3.721 . 0 0 "[ . 1 . 2]" 1
818 1 74 CYS HB3 1 78 LEU QD . . 4.410 2.382 2.087 2.758 . 0 0 "[ . 1 . 2]" 1
819 1 75 GLU H 1 75 GLU QB . . 2.830 2.383 2.098 2.616 . 0 0 "[ . 1 . 2]" 1
820 1 75 GLU H 1 75 GLU HG2 . . 2.880 2.876 2.541 2.972 0.092 16 0 "[ . 1 . 2]" 1
821 1 75 GLU H 1 75 GLU HG3 . . 2.870 2.581 2.095 2.942 0.072 20 0 "[ . 1 . 2]" 1
822 1 75 GLU H 1 78 LEU QD . . 4.230 3.274 2.950 3.769 . 0 0 "[ . 1 . 2]" 1
823 1 75 GLU HA 1 75 GLU HG3 . . 3.850 3.526 3.067 3.687 . 0 0 "[ . 1 . 2]" 1
824 1 75 GLU HA 1 78 LEU QB . . 4.420 2.870 2.150 4.112 . 0 0 "[ . 1 . 2]" 1
825 1 75 GLU HA 1 78 LEU QD . . 4.000 2.160 2.004 2.565 . 0 0 "[ . 1 . 2]" 1
826 1 75 GLU HA 1 78 LEU HG . . 4.740 3.577 1.906 4.300 . 0 0 "[ . 1 . 2]" 1
827 1 75 GLU HA 1 79 ASP H . . 4.010 2.803 2.210 3.663 . 0 0 "[ . 1 . 2]" 1
828 1 75 GLU HA 1 79 ASP QB . . 4.260 3.503 2.719 4.301 0.041 9 0 "[ . 1 . 2]" 1
829 1 75 GLU QB 1 75 GLU HG2 . . 2.790 2.287 2.038 2.574 . 0 0 "[ . 1 . 2]" 1
830 1 75 GLU QB 1 78 LEU QD . . 4.590 3.646 3.282 4.023 . 0 0 "[ . 1 . 2]" 1
831 1 76 GLU H 1 76 GLU QB . . 3.910 2.267 2.036 2.438 . 0 0 "[ . 1 . 2]" 1
832 1 76 GLU H 1 78 LEU H . . 5.500 4.076 3.717 4.420 . 0 0 "[ . 1 . 2]" 1
833 1 76 GLU H 1 78 LEU QD . . 4.210 4.162 3.882 4.274 0.064 17 0 "[ . 1 . 2]" 1
834 1 76 GLU HA 1 76 GLU HG2 . . 3.120 2.719 2.215 3.198 0.078 18 0 "[ . 1 . 2]" 1
835 1 76 GLU HA 1 76 GLU HG3 . . 2.930 2.624 2.176 3.005 0.075 2 0 "[ . 1 . 2]" 1
836 1 76 GLU HA 1 77 MET H . . 3.620 3.412 3.182 3.596 . 0 0 "[ . 1 . 2]" 1
837 1 76 GLU HA 1 79 ASP QB . . 4.160 4.044 3.105 4.259 0.099 2 0 "[ . 1 . 2]" 1
838 1 76 GLU HA 1 80 ASN H . . 3.750 3.335 2.820 3.838 0.088 13 0 "[ . 1 . 2]" 1
839 1 76 GLU HA 1 80 ASN QB . . 3.560 2.507 1.921 3.652 0.092 15 0 "[ . 1 . 2]" 1
840 1 77 MET H 1 77 MET QB . . 3.620 2.391 2.029 2.813 . 0 0 "[ . 1 . 2]" 1
841 1 77 MET H 1 78 LEU H . . 4.110 2.202 1.892 2.985 . 0 0 "[ . 1 . 2]" 1
842 1 77 MET H 1 78 LEU QD . . 4.640 3.352 2.137 4.550 . 0 0 "[ . 1 . 2]" 1
843 1 77 MET H 1 78 LEU HG . . 4.850 4.239 2.980 4.951 0.101 10 0 "[ . 1 . 2]" 1
844 1 77 MET HA 1 81 ARG QD . . 3.800 3.460 2.645 3.829 0.029 7 0 "[ . 1 . 2]" 1
845 1 77 MET QB 1 78 LEU H . . 4.720 3.200 2.539 3.639 . 0 0 "[ . 1 . 2]" 1
846 1 77 MET QB 1 79 ASP H . . 5.310 5.270 4.893 5.410 0.100 6 0 "[ . 1 . 2]" 1
847 1 78 LEU H 1 78 LEU QB . . 3.650 2.626 2.378 3.073 . 0 0 "[ . 1 . 2]" 1
848 1 78 LEU H 1 78 LEU QD . . 3.530 2.757 2.004 3.405 . 0 0 "[ . 1 . 2]" 1
849 1 78 LEU H 1 78 LEU HG . . 3.780 3.036 2.218 3.874 0.094 16 0 "[ . 1 . 2]" 1
850 1 78 LEU H 1 79 ASP H . . 3.450 2.427 2.116 2.848 . 0 0 "[ . 1 . 2]" 1
851 1 78 LEU H 1 79 ASP HA . . 5.360 4.964 4.666 5.347 . 0 0 "[ . 1 . 2]" 1
852 1 78 LEU H 1 79 ASP QB . . 4.260 4.135 3.894 4.351 0.091 13 0 "[ . 1 . 2]" 1
853 1 78 LEU H 1 80 ASN H . . 3.840 3.341 2.780 3.894 0.054 13 0 "[ . 1 . 2]" 1
854 1 78 LEU H 1 81 ARG H . . 4.700 3.965 3.138 4.679 . 0 0 "[ . 1 . 2]" 1
855 1 78 LEU H 1 81 ARG QD . . 5.500 4.537 3.406 5.100 . 0 0 "[ . 1 . 2]" 1
856 1 78 LEU HA 1 78 LEU QD . . 3.870 2.659 2.314 3.290 . 0 0 "[ . 1 . 2]" 1
857 1 78 LEU HA 1 78 LEU HG . . 3.970 3.373 2.772 3.991 0.021 8 0 "[ . 1 . 2]" 1
858 1 78 LEU HA 1 79 ASP HA . . 4.840 4.794 4.681 4.895 0.055 17 0 "[ . 1 . 2]" 1
859 1 78 LEU HA 1 80 ASN H . . 5.500 4.759 4.275 5.544 0.044 9 0 "[ . 1 . 2]" 1
860 1 78 LEU HA 1 81 ARG H . . 4.060 3.600 3.058 4.028 . 0 0 "[ . 1 . 2]" 1
861 1 78 LEU HA 1 81 ARG QD . . 4.070 3.239 1.804 3.996 . 0 0 "[ . 1 . 2]" 1
862 1 78 LEU HA 1 82 ALA H . . 5.010 4.829 4.397 5.093 0.083 10 0 "[ . 1 . 2]" 1
863 1 78 LEU HA 1 85 GLN QB . . 3.390 2.533 1.912 3.376 . 0 0 "[ . 1 . 2]" 1
864 1 78 LEU HA 1 85 GLN QG . . 3.480 3.110 2.004 3.577 0.097 1 0 "[ . 1 . 2]" 1
865 1 78 LEU QB 1 79 ASP H . . 3.730 2.261 1.795 3.424 . 0 0 "[ . 1 . 2]" 1
866 1 78 LEU QB 1 79 ASP HA . . 4.940 3.961 3.707 4.711 . 0 0 "[ . 1 . 2]" 1
867 1 78 LEU QB 1 85 GLN QB . . 3.680 2.755 2.129 3.582 . 0 0 "[ . 1 . 2]" 1
868 1 78 LEU QD 1 79 ASP H . . 4.080 3.280 2.494 3.865 . 0 0 "[ . 1 . 2]" 1
869 1 78 LEU QD 1 81 ARG QD . . 4.930 4.094 3.025 4.669 . 0 0 "[ . 1 . 2]" 1
870 1 78 LEU QD 1 85 GLN QG . . 5.500 3.508 2.214 4.865 . 0 0 "[ . 1 . 2]" 1
871 1 78 LEU HG 1 79 ASP H . . 4.490 3.823 1.793 4.400 . 0 0 "[ . 1 . 2]" 1
872 1 79 ASP H 1 79 ASP QB . . 2.750 2.296 1.963 2.572 . 0 0 "[ . 1 . 2]" 1
873 1 79 ASP H 1 80 ASN H . . 3.300 2.670 2.440 2.864 . 0 0 "[ . 1 . 2]" 1
874 1 79 ASP HA 1 79 ASP QB . . 2.670 2.435 2.344 2.540 . 0 0 "[ . 1 . 2]" 1
875 1 79 ASP HA 1 80 ASN HA . . 4.870 4.737 4.641 4.856 . 0 0 "[ . 1 . 2]" 1
876 1 79 ASP HA 1 81 ARG H . . 4.500 3.867 3.545 4.164 . 0 0 "[ . 1 . 2]" 1
877 1 79 ASP HA 1 82 ALA H . . 4.400 4.119 3.471 4.451 0.051 5 0 "[ . 1 . 2]" 1
878 1 79 ASP QB 1 80 ASN H . . 3.170 2.450 2.026 2.857 . 0 0 "[ . 1 . 2]" 1
879 1 79 ASP QB 1 80 ASN HA . . 5.020 4.000 3.792 4.277 . 0 0 "[ . 1 . 2]" 1
880 1 79 ASP QB 1 80 ASN QB . . 3.540 3.544 3.227 3.637 0.097 16 0 "[ . 1 . 2]" 1
881 1 79 ASP QB 1 82 ALA H . . 5.500 5.430 5.119 5.589 0.089 6 0 "[ . 1 . 2]" 1
882 1 79 ASP QB 1 83 THR H . . 5.500 4.689 4.317 4.858 . 0 0 "[ . 1 . 2]" 1
883 1 79 ASP QB 1 83 THR HA . . 4.010 3.893 3.314 4.103 0.093 2 0 "[ . 1 . 2]" 1
884 1 80 ASN H 1 80 ASN QB . . 2.840 2.116 2.029 2.210 . 0 0 "[ . 1 . 2]" 1
885 1 80 ASN H 1 81 ARG H . . 3.680 2.737 2.490 3.049 . 0 0 "[ . 1 . 2]" 1
886 1 80 ASN HA 1 80 ASN QB . . 2.710 2.386 2.275 2.490 . 0 0 "[ . 1 . 2]" 1
887 1 80 ASN HA 1 81 ARG H . . 3.540 3.377 3.149 3.534 . 0 0 "[ . 1 . 2]" 1
888 1 80 ASN HA 1 81 ARG HA . . 5.190 4.810 4.649 4.955 . 0 0 "[ . 1 . 2]" 1
889 1 80 ASN HA 1 82 ALA H . . 4.320 4.279 3.796 4.401 0.081 20 0 "[ . 1 . 2]" 1
890 1 80 ASN HA 1 83 THR H . . 4.360 3.646 3.424 3.897 . 0 0 "[ . 1 . 2]" 1
891 1 80 ASN HA 1 83 THR MG . . 3.380 3.356 3.060 3.496 0.116 15 0 "[ . 1 . 2]" 1
892 1 80 ASN QB 1 81 ARG H . . 3.270 3.254 2.960 3.373 0.103 13 0 "[ . 1 . 2]" 1
893 1 80 ASN QB 1 81 ARG HA . . 5.500 4.290 3.803 4.798 . 0 0 "[ . 1 . 2]" 1
894 1 80 ASN QB 1 83 THR H . . 5.050 5.157 5.140 5.167 0.117 14 0 "[ . 1 . 2]" 1
895 1 81 ARG H 1 81 ARG HB2 . . 3.320 2.320 2.119 2.529 . 0 0 "[ . 1 . 2]" 1
896 1 81 ARG H 1 81 ARG HB3 . . 3.160 2.935 2.436 3.410 0.250 11 0 "[ . 1 . 2]" 1
897 1 81 ARG H 1 81 ARG QD . . 4.720 3.723 2.630 4.174 . 0 0 "[ . 1 . 2]" 1
898 1 81 ARG H 1 82 ALA H . . 3.550 2.483 2.284 2.642 . 0 0 "[ . 1 . 2]" 1
899 1 81 ARG H 1 82 ALA HA . . 5.070 5.074 4.895 5.143 0.073 9 0 "[ . 1 . 2]" 1
900 1 81 ARG H 1 83 THR H . . 4.450 3.436 3.280 3.610 . 0 0 "[ . 1 . 2]" 1
901 1 81 ARG H 1 83 THR MG . . 5.500 4.880 4.633 5.093 . 0 0 "[ . 1 . 2]" 1
902 1 81 ARG HA 1 81 ARG QD . . 3.620 2.687 1.930 3.529 . 0 0 "[ . 1 . 2]" 1
903 1 81 ARG HA 1 81 ARG QG . . 3.260 2.432 2.045 3.076 . 0 0 "[ . 1 . 2]" 1
904 1 81 ARG HB2 1 81 ARG QD . . 3.620 2.201 2.056 2.439 . 0 0 "[ . 1 . 2]" 1
905 1 81 ARG HB2 1 82 ALA H . . 3.710 3.277 2.339 3.739 0.029 10 0 "[ . 1 . 2]" 1
906 1 81 ARG HB2 1 85 GLN QG . . 5.090 3.370 2.448 3.910 . 0 0 "[ . 1 . 2]" 1
907 1 81 ARG HB3 1 81 ARG QD . . 3.840 3.071 2.478 3.295 . 0 0 "[ . 1 . 2]" 1
908 1 81 ARG HB3 1 82 ALA H . . 3.650 2.491 2.105 2.918 . 0 0 "[ . 1 . 2]" 1
909 1 81 ARG QD 1 82 ALA H . . 5.500 4.658 4.074 4.895 . 0 0 "[ . 1 . 2]" 1
910 1 81 ARG QD 1 85 GLN QB . . 5.280 3.905 3.041 4.430 . 0 0 "[ . 1 . 2]" 1
911 1 81 ARG QD 1 85 GLN QG . . 3.970 3.318 2.230 3.938 . 0 0 "[ . 1 . 2]" 1
912 1 82 ALA H 1 82 ALA MB . . 2.980 2.693 2.459 2.915 . 0 0 "[ . 1 . 2]" 1
913 1 82 ALA H 1 83 THR MG . . 4.930 4.054 3.529 4.352 . 0 0 "[ . 1 . 2]" 1
914 1 82 ALA MB 1 83 THR MG . . 5.500 4.606 4.199 4.904 . 0 0 "[ . 1 . 2]" 1
915 1 82 ALA MB 1 84 LEU H . . 4.780 2.984 2.449 3.945 . 0 0 "[ . 1 . 2]" 1
916 1 83 THR H 1 83 THR HA . . 2.900 2.202 2.148 2.251 . 0 0 "[ . 1 . 2]" 1
917 1 83 THR H 1 83 THR HB . . 4.010 3.935 3.722 4.018 0.008 6 0 "[ . 1 . 2]" 1
918 1 83 THR H 1 83 THR MG . . 3.450 2.494 2.243 2.674 . 0 0 "[ . 1 . 2]" 1
919 1 83 THR HA 1 83 THR MG . . 3.410 2.309 2.201 2.574 . 0 0 "[ . 1 . 2]" 1
920 1 83 THR HA 1 84 LEU H . . 3.050 2.817 2.557 3.084 0.034 13 0 "[ . 1 . 2]" 1
921 1 83 THR HA 1 84 LEU HB2 . . 4.790 4.765 4.565 4.868 0.078 13 0 "[ . 1 . 2]" 1
922 1 83 THR HB 1 84 LEU QD . . 5.300 4.523 3.768 5.219 . 0 0 "[ . 1 . 2]" 1
923 1 83 THR MG 1 84 LEU H . . 4.220 4.307 4.269 4.329 0.109 18 0 "[ . 1 . 2]" 1
924 1 84 LEU H 1 84 LEU HB2 . . 2.970 2.880 2.301 3.064 0.094 6 0 "[ . 1 . 2]" 1
925 1 84 LEU H 1 85 GLN H . . 3.340 1.978 1.653 2.534 . 0 0 "[ . 1 . 2]" 1
926 1 84 LEU H 1 85 GLN QG . . 5.150 5.015 4.406 5.261 0.111 15 0 "[ . 1 . 2]" 1
927 1 84 LEU HA 1 84 LEU HB2 . . 2.730 2.746 2.597 2.819 0.089 13 0 "[ . 1 . 2]" 1
928 1 84 LEU HA 1 84 LEU QD . . 2.460 2.030 1.954 2.166 . 0 0 "[ . 1 . 2]" 1
929 1 84 LEU HB2 1 84 LEU QD . . 2.540 2.224 2.079 2.387 . 0 0 "[ . 1 . 2]" 1
930 1 84 LEU HB2 1 85 GLN H . . 3.440 3.458 3.229 3.522 0.082 11 0 "[ . 1 . 2]" 1
931 1 84 LEU HB3 1 84 LEU HG . . 2.400 2.431 2.321 2.484 0.084 15 0 "[ . 1 . 2]" 1
932 1 84 LEU HB3 1 85 GLN H . . 3.460 2.731 1.805 3.462 0.002 13 0 "[ . 1 . 2]" 1
933 1 84 LEU QD 1 85 GLN H . . 4.990 3.958 3.248 4.359 . 0 0 "[ . 1 . 2]" 1
934 1 85 GLN H 1 85 GLN HA . . 2.860 2.658 2.170 2.903 0.043 19 0 "[ . 1 . 2]" 1
935 1 85 GLN H 1 85 GLN QB . . 2.720 2.277 1.995 2.691 . 0 0 "[ . 1 . 2]" 1
936 1 85 GLN HA 1 85 GLN QG . . 2.960 2.318 2.072 2.495 . 0 0 "[ . 1 . 2]" 1
937 1 85 GLN QB 1 85 GLN QG . . 2.480 2.027 1.962 2.086 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 10:00:32 AM GMT (wattos1)