NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470485 |
2al3   |
6761 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2al3
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 1006
_Distance_constraint_stats_list.Viol_count 1130
_Distance_constraint_stats_list.Viol_total 1881.605
_Distance_constraint_stats_list.Viol_max 0.882
_Distance_constraint_stats_list.Viol_rms 0.0324
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0833
_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 10 SER 0.971 0.206 13 0 "[ . 1 . 2]"
1 11 ALA 3.041 0.206 13 0 "[ . 1 . 2]"
1 12 VAL 2.468 0.403 14 0 "[ . 1 . 2]"
1 13 SER 9.666 0.774 9 7 "[ -.** +1 .*** 2]"
1 14 VAL 3.744 0.242 10 0 "[ . 1 . 2]"
1 15 LEU 1.279 0.188 7 0 "[ . 1 . 2]"
1 16 ALA 0.261 0.037 4 0 "[ . 1 . 2]"
1 17 PRO 1.350 0.110 17 0 "[ . 1 . 2]"
1 18 ASN 4.150 0.882 19 3 "[ . - 1* . +2]"
1 19 GLY 1.128 0.110 17 0 "[ . 1 . 2]"
1 20 ARG 4.645 0.882 19 3 "[ . - 1* . +2]"
1 21 ARG 0.502 0.143 2 0 "[ . 1 . 2]"
1 22 HIS 2.936 0.101 11 0 "[ . 1 . 2]"
1 23 THR 0.763 0.072 10 0 "[ . 1 . 2]"
1 24 VAL 6.798 0.403 14 0 "[ . 1 . 2]"
1 25 LYS 3.030 0.262 15 0 "[ . 1 . 2]"
1 26 VAL 2.909 0.196 14 0 "[ . 1 . 2]"
1 27 THR 1.183 0.196 14 0 "[ . 1 . 2]"
1 28 PRO 1.837 0.156 17 0 "[ . 1 . 2]"
1 29 SER 1.567 0.118 2 0 "[ . 1 . 2]"
1 30 THR 2.468 0.136 14 0 "[ . 1 . 2]"
1 31 VAL 2.726 0.279 16 0 "[ . 1 . 2]"
1 32 LEU 1.601 0.498 16 0 "[ . 1 . 2]"
1 33 LEU 2.473 0.212 6 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 1.938 0.117 10 0 "[ . 1 . 2]"
1 36 LEU 2.793 0.117 10 0 "[ . 1 . 2]"
1 37 GLU 1.000 0.113 20 0 "[ . 1 . 2]"
1 38 ASP 0.645 0.087 18 0 "[ . 1 . 2]"
1 39 THR 0.854 0.058 1 0 "[ . 1 . 2]"
1 40 CYS 2.378 0.181 11 0 "[ . 1 . 2]"
1 41 ARG 0.359 0.078 6 0 "[ . 1 . 2]"
1 42 ARG 7.270 0.308 20 0 "[ . 1 . 2]"
1 43 GLN 6.422 0.308 20 0 "[ . 1 . 2]"
1 44 ASP 1.665 0.132 20 0 "[ . 1 . 2]"
1 45 PHE 1.408 0.099 1 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PRO 3.324 0.259 8 0 "[ . 1 . 2]"
1 48 SER 1.156 0.259 8 0 "[ . 1 . 2]"
1 49 GLU 0.016 0.016 7 0 "[ . 1 . 2]"
1 50 TYR 2.420 0.167 9 0 "[ . 1 . 2]"
1 51 ASP 2.748 0.167 18 0 "[ . 1 . 2]"
1 52 LEU 6.511 0.214 5 0 "[ . 1 . 2]"
1 53 LYS 2.465 0.241 20 0 "[ . 1 . 2]"
1 54 PHE 4.926 0.571 20 3 "[ * . 1 - +]"
1 55 GLN 4.477 0.571 20 3 "[ * . 1 - +]"
1 56 ARG 0.037 0.027 19 0 "[ . 1 . 2]"
1 57 THR 0.037 0.027 19 0 "[ . 1 . 2]"
1 58 VAL 8.071 0.241 20 0 "[ . 1 . 2]"
1 59 LEU 3.049 0.128 20 0 "[ . 1 . 2]"
1 60 ASP 3.240 0.149 19 0 "[ . 1 . 2]"
1 61 LEU 4.926 0.498 16 0 "[ . 1 . 2]"
1 62 SER 0.913 0.144 15 0 "[ . 1 . 2]"
1 63 LEU 3.857 0.149 19 0 "[ . 1 . 2]"
1 64 GLN 3.229 0.279 16 0 "[ . 1 . 2]"
1 65 TRP 2.117 0.103 4 0 "[ . 1 . 2]"
1 66 ARG 6.493 0.598 13 1 "[ . 1 + . 2]"
1 67 PHE 0.362 0.236 13 0 "[ . 1 . 2]"
1 68 ALA 1.409 0.598 13 1 "[ . 1 + . 2]"
1 69 ASN 0.023 0.015 6 0 "[ . 1 . 2]"
1 70 LEU 0.453 0.063 12 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 0.023 0.012 4 0 "[ . 1 . 2]"
1 73 ASN 0.060 0.037 16 0 "[ . 1 . 2]"
1 74 ALA 2.324 0.358 17 0 "[ . 1 . 2]"
1 75 LYS 13.189 0.805 6 7 "[ *.+- *1 .*** 2]"
1 76 LEU 5.502 0.805 6 7 "[ *.+- *1 .*** 2]"
1 77 GLU 1.570 0.188 7 0 "[ . 1 . 2]"
1 78 MET 2.385 0.167 18 0 "[ . 1 . 2]"
1 79 VAL 0.931 0.167 9 0 "[ . 1 . 2]"
1 80 PRO 0.970 0.091 5 0 "[ . 1 . 2]"
1 81 VAL 0.320 0.094 17 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.873 0.620 19 1 "[ . 1 . +2]"
1 84 SER 1.163 0.620 19 1 "[ . 1 . +2]"
1 85 ARG 0.304 0.178 1 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 68 ALA MB 1 70 LEU QD . . 4.410 1.997 1.688 2.839 . 0 0 "[ . 1 . 2]" 1
2 1 66 ARG HG2 1 68 ALA H . . 5.500 5.220 4.725 6.098 0.598 13 1 "[ . 1 + . 2]" 1
3 1 47 PRO HG2 1 48 SER H . . 5.000 2.862 2.834 2.895 . 0 0 "[ . 1 . 2]" 1
4 1 20 ARG H 1 20 ARG HG2 . . 5.000 3.636 3.173 4.312 . 0 0 "[ . 1 . 2]" 1
5 1 51 ASP H 1 81 VAL QG . . 5.000 2.925 2.658 3.036 . 0 0 "[ . 1 . 2]" 1
6 1 37 GLU HB2 1 38 ASP H . . 5.000 2.738 2.675 2.820 . 0 0 "[ . 1 . 2]" 1
7 1 35 VAL H 1 36 LEU HB3 . . 5.000 4.686 4.531 4.953 . 0 0 "[ . 1 . 2]" 1
8 1 41 ARG H 1 41 ARG HG3 . . 5.000 3.935 3.304 4.123 . 0 0 "[ . 1 . 2]" 1
9 1 14 VAL MG1 1 15 LEU H . . 5.000 3.075 2.952 3.189 . 0 0 "[ . 1 . 2]" 1
10 1 15 LEU H 1 77 GLU QB . . 5.500 4.580 4.281 4.941 . 0 0 "[ . 1 . 2]" 1
11 1 26 VAL QG 1 65 TRP HE3 . . 4.000 2.299 1.819 2.856 . 0 0 "[ . 1 . 2]" 1
12 1 26 VAL QG 1 65 TRP HZ3 . . 5.000 2.573 1.927 3.267 . 0 0 "[ . 1 . 2]" 1
13 1 66 ARG HG2 1 67 PHE QD . . 4.000 3.473 2.297 4.236 0.236 13 0 "[ . 1 . 2]" 1
14 1 65 TRP HE3 1 70 LEU QD . . 5.000 2.256 1.895 2.546 . 0 0 "[ . 1 . 2]" 1
15 1 65 TRP HZ3 1 70 LEU QD . . 5.000 3.406 2.829 3.925 . 0 0 "[ . 1 . 2]" 1
16 1 65 TRP HH2 1 70 LEU QD . . 5.000 4.606 4.291 4.879 . 0 0 "[ . 1 . 2]" 1
17 1 29 SER H 1 30 THR H . . 4.730 2.077 1.973 2.204 . 0 0 "[ . 1 . 2]" 1
18 1 27 THR HA 1 29 SER H . . 3.960 3.853 3.850 3.858 . 0 0 "[ . 1 . 2]" 1
19 1 29 SER H 1 30 THR HA . . 4.830 4.569 4.503 4.666 . 0 0 "[ . 1 . 2]" 1
20 1 28 PRO QG 1 29 SER H . . 5.500 3.390 3.357 3.396 . 0 0 "[ . 1 . 2]" 1
21 1 27 THR MG 1 29 SER H . . 5.500 3.155 2.719 3.878 . 0 0 "[ . 1 . 2]" 1
22 1 29 SER H 1 66 ARG H . . 5.500 5.578 5.532 5.618 0.118 2 0 "[ . 1 . 2]" 1
23 1 19 GLY H 1 20 ARG H . . 3.670 2.201 2.143 2.270 . 0 0 "[ . 1 . 2]" 1
24 1 18 ASN H 1 19 GLY H . . 3.830 2.573 2.530 2.625 . 0 0 "[ . 1 . 2]" 1
25 1 17 PRO HB2 1 19 GLY H . . 4.770 4.826 4.761 4.880 0.110 17 0 "[ . 1 . 2]" 1
26 1 18 ASN HB3 1 19 GLY H . . 5.500 4.435 4.348 4.604 . 0 0 "[ . 1 . 2]" 1
27 1 18 ASN HB2 1 19 GLY H . . 5.010 4.397 4.238 4.505 . 0 0 "[ . 1 . 2]" 1
28 1 16 ALA H 1 19 GLY H . . 5.450 5.044 4.868 5.189 . 0 0 "[ . 1 . 2]" 1
29 1 17 PRO HB3 1 19 GLY H . . 5.500 5.210 5.156 5.256 . 0 0 "[ . 1 . 2]" 1
30 1 48 SER H 1 83 ARG H . . 5.070 4.768 4.301 5.084 0.014 20 0 "[ . 1 . 2]" 1
31 1 46 ASN HA 1 48 SER H . . 4.780 4.135 4.079 4.170 . 0 0 "[ . 1 . 2]" 1
32 1 48 SER H 1 48 SER HB3 . . 3.350 2.381 2.176 2.646 . 0 0 "[ . 1 . 2]" 1
33 1 46 ASN HB2 1 48 SER H . . 5.310 4.532 4.209 4.755 . 0 0 "[ . 1 . 2]" 1
34 1 46 ASN HB3 1 48 SER H . . 5.140 2.880 2.684 3.285 . 0 0 "[ . 1 . 2]" 1
35 1 48 SER H 1 61 LEU MD1 . . 5.500 4.505 4.305 4.744 . 0 0 "[ . 1 . 2]" 1
36 1 47 PRO QB 1 48 SER H . . 3.570 3.210 3.187 3.235 . 0 0 "[ . 1 . 2]" 1
37 1 18 ASN H 1 20 ARG H . . 4.580 3.176 3.164 3.186 . 0 0 "[ . 1 . 2]" 1
38 1 17 PRO HD3 1 18 ASN H . . 4.760 3.745 3.742 3.751 . 0 0 "[ . 1 . 2]" 1
39 1 17 PRO HB2 1 18 ASN H . . 4.670 3.886 3.879 3.898 . 0 0 "[ . 1 . 2]" 1
40 1 16 ALA MB 1 18 ASN H . . 4.120 2.611 2.527 2.658 . 0 0 "[ . 1 . 2]" 1
41 1 12 VAL H 1 13 SER H . . 4.480 4.448 4.402 4.490 0.010 14 0 "[ . 1 . 2]" 1
42 1 12 VAL H 1 26 VAL H . . 5.130 2.518 2.175 2.858 . 0 0 "[ . 1 . 2]" 1
43 1 12 VAL H 1 13 SER HA . . 5.500 4.809 4.772 4.852 . 0 0 "[ . 1 . 2]" 1
44 1 11 ALA HA 1 12 VAL H . . 3.300 2.287 2.259 2.357 . 0 0 "[ . 1 . 2]" 1
45 1 12 VAL H 1 25 LYS HA . . 4.330 1.883 1.801 2.035 . 0 0 "[ . 1 . 2]" 1
46 1 12 VAL H 1 24 VAL HA . . 5.500 4.908 4.719 5.035 . 0 0 "[ . 1 . 2]" 1
47 1 12 VAL H 1 25 LYS HB2 . . 4.650 4.191 4.033 4.403 . 0 0 "[ . 1 . 2]" 1
48 1 11 ALA MB 1 12 VAL H . . 3.580 2.933 2.752 3.038 . 0 0 "[ . 1 . 2]" 1
49 1 12 VAL H 1 24 VAL QG . . 4.200 4.250 3.628 4.368 0.168 12 0 "[ . 1 . 2]" 1
50 1 12 VAL H 1 12 VAL QG . . 3.680 2.760 2.017 2.997 . 0 0 "[ . 1 . 2]" 1
51 1 12 VAL H 1 26 VAL QG . . 4.890 3.108 2.635 3.536 . 0 0 "[ . 1 . 2]" 1
52 1 62 SER H 1 63 LEU QD . . 4.610 3.220 2.254 4.012 . 0 0 "[ . 1 . 2]" 1
53 1 61 LEU MD2 1 62 SER H . . 4.840 4.864 4.717 4.984 0.144 15 0 "[ . 1 . 2]" 1
54 1 61 LEU HB3 1 62 SER H . . 4.560 3.903 3.717 4.538 . 0 0 "[ . 1 . 2]" 1
55 1 62 SER H 1 63 LEU HB2 . . 4.840 4.527 3.580 4.716 . 0 0 "[ . 1 . 2]" 1
56 1 61 LEU HG 1 62 SER H . . 4.650 4.342 3.903 4.595 . 0 0 "[ . 1 . 2]" 1
57 1 60 ASP HB2 1 62 SER H . . 5.500 4.173 3.666 4.295 . 0 0 "[ . 1 . 2]" 1
58 1 60 ASP HB3 1 62 SER H . . 5.400 2.444 2.024 2.569 . 0 0 "[ . 1 . 2]" 1
59 1 64 GLN H 1 66 ARG H . . 5.300 5.351 5.165 5.461 0.161 17 0 "[ . 1 . 2]" 1
60 1 66 ARG H 1 67 PHE H . . 4.430 2.720 2.676 2.735 . 0 0 "[ . 1 . 2]" 1
61 1 66 ARG H 1 68 ALA H . . 5.190 4.636 4.441 4.783 . 0 0 "[ . 1 . 2]" 1
62 1 66 ARG H 1 67 PHE QD . . 5.500 4.792 4.275 5.152 . 0 0 "[ . 1 . 2]" 1
63 1 65 TRP HD1 1 66 ARG H . . 4.970 3.504 3.137 3.687 . 0 0 "[ . 1 . 2]" 1
64 1 64 GLN HA 1 66 ARG H . . 4.830 4.199 4.062 4.377 . 0 0 "[ . 1 . 2]" 1
65 1 28 PRO HA 1 66 ARG H . . 4.960 4.698 4.559 4.958 . 0 0 "[ . 1 . 2]" 1
66 1 65 TRP HB3 1 66 ARG H . . 4.080 2.752 2.688 2.833 . 0 0 "[ . 1 . 2]" 1
67 1 65 TRP HB2 1 66 ARG H . . 4.390 4.032 3.986 4.102 . 0 0 "[ . 1 . 2]" 1
68 1 64 GLN HB3 1 66 ARG H . . 4.110 2.819 2.724 3.064 . 0 0 "[ . 1 . 2]" 1
69 1 66 ARG H 1 66 ARG HG3 . . 3.840 3.153 2.546 3.512 . 0 0 "[ . 1 . 2]" 1
70 1 66 ARG H 1 66 ARG HG2 . . 4.220 2.223 1.931 2.727 . 0 0 "[ . 1 . 2]" 1
71 1 68 ALA H 1 69 ASN H . . 4.000 2.656 2.568 2.737 . 0 0 "[ . 1 . 2]" 1
72 1 67 PHE HA 1 69 ASN H . . 5.260 3.769 3.697 3.896 . 0 0 "[ . 1 . 2]" 1
73 1 68 ALA MB 1 69 ASN H . . 4.080 3.107 3.021 3.261 . 0 0 "[ . 1 . 2]" 1
74 1 69 ASN H 1 70 LEU QD . . 5.470 3.592 2.911 4.739 . 0 0 "[ . 1 . 2]" 1
75 1 37 GLU H 1 39 THR H . . 5.500 4.346 4.303 4.415 . 0 0 "[ . 1 . 2]" 1
76 1 43 GLN H 1 45 PHE H . . 5.370 4.233 4.184 4.294 . 0 0 "[ . 1 . 2]" 1
77 1 43 GLN H 1 45 PHE QD . . 5.500 5.454 5.408 5.512 0.012 11 0 "[ . 1 . 2]" 1
78 1 39 THR H 1 39 THR HB . . 3.720 2.633 2.165 3.493 . 0 0 "[ . 1 . 2]" 1
79 1 40 CYS HA 1 43 GLN H . . 5.360 3.441 3.356 3.471 . 0 0 "[ . 1 . 2]" 1
80 1 35 VAL HA 1 39 THR H . . 5.070 3.830 3.593 4.030 . 0 0 "[ . 1 . 2]" 1
81 1 39 THR HA 1 43 GLN H . . 5.500 3.393 3.324 3.624 . 0 0 "[ . 1 . 2]" 1
82 1 36 LEU HA 1 39 THR H . . 4.260 3.586 3.537 3.681 . 0 0 "[ . 1 . 2]" 1
83 1 39 THR H 1 42 ARG HD3 . . 5.500 3.203 3.088 3.303 . 0 0 "[ . 1 . 2]" 1
84 1 40 CYS HB2 1 43 GLN H . . 5.500 5.524 5.501 5.532 0.032 18 0 "[ . 1 . 2]" 1
85 1 38 ASP HB2 1 39 THR H . . 4.010 2.595 2.448 2.695 . 0 0 "[ . 1 . 2]" 1
86 1 35 VAL HB 1 39 THR H . . 5.500 5.014 4.833 5.224 . 0 0 "[ . 1 . 2]" 1
87 1 43 GLN H 1 43 GLN HG3 . . 4.090 3.918 3.827 3.994 . 0 0 "[ . 1 . 2]" 1
88 1 39 THR H 1 42 ARG HG3 . . 5.110 4.999 4.920 5.071 . 0 0 "[ . 1 . 2]" 1
89 1 42 ARG HB3 1 43 GLN H . . 3.890 4.152 4.136 4.198 0.308 20 0 "[ . 1 . 2]" 1
90 1 42 ARG HG2 1 43 GLN H . . 4.190 2.052 2.017 2.143 . 0 0 "[ . 1 . 2]" 1
91 1 39 THR H 1 39 THR MG . . 4.420 2.907 1.859 3.675 . 0 0 "[ . 1 . 2]" 1
92 1 39 THR MG 1 43 GLN H . . 5.500 4.239 3.524 5.288 . 0 0 "[ . 1 . 2]" 1
93 1 26 VAL HA 1 27 THR H . . 3.560 2.519 2.505 2.522 . 0 0 "[ . 1 . 2]" 1
94 1 27 THR H 1 30 THR HB . . 4.150 2.224 2.040 2.520 . 0 0 "[ . 1 . 2]" 1
95 1 27 THR H 1 28 PRO QD . . 5.180 4.339 4.334 4.341 . 0 0 "[ . 1 . 2]" 1
96 1 26 VAL HB 1 27 THR H . . 3.660 2.592 2.422 3.856 0.196 14 0 "[ . 1 . 2]" 1
97 1 27 THR H 1 27 THR MG . . 4.000 3.484 2.842 3.708 . 0 0 "[ . 1 . 2]" 1
98 1 26 VAL QG 1 27 THR H . . 4.300 2.830 1.777 3.053 . 0 0 "[ . 1 . 2]" 1
99 1 26 VAL H 1 27 THR H . . 4.430 4.474 4.425 4.526 0.096 13 0 "[ . 1 . 2]" 1
100 1 11 ALA HA 1 26 VAL H . . 3.820 2.445 1.907 2.920 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL HA 1 26 VAL H . . 4.870 4.716 4.373 4.998 0.128 15 0 "[ . 1 . 2]" 1
102 1 25 LYS HA 1 26 VAL H . . 3.190 2.185 2.176 2.250 . 0 0 "[ . 1 . 2]" 1
103 1 10 SER HB2 1 26 VAL H . . 5.500 5.123 4.254 5.683 0.183 12 0 "[ . 1 . 2]" 1
104 1 11 ALA MB 1 26 VAL H . . 4.350 4.030 3.646 4.466 0.116 19 0 "[ . 1 . 2]" 1
105 1 26 VAL H 1 26 VAL QG . . 3.540 2.136 1.961 2.993 . 0 0 "[ . 1 . 2]" 1
106 1 13 SER H 1 76 LEU H . . 4.650 3.127 2.949 3.387 . 0 0 "[ . 1 . 2]" 1
107 1 13 SER H 1 24 VAL H . . 5.010 4.433 4.204 4.591 . 0 0 "[ . 1 . 2]" 1
108 1 13 SER H 1 74 ALA H . . 5.500 5.222 4.973 5.415 . 0 0 "[ . 1 . 2]" 1
109 1 13 SER H 1 75 LYS HA . . 4.050 2.357 2.209 2.513 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL HA 1 13 SER H . . 3.390 2.258 2.212 2.327 . 0 0 "[ . 1 . 2]" 1
111 1 13 SER H 1 14 VAL HA . . 4.990 4.751 4.649 4.844 . 0 0 "[ . 1 . 2]" 1
112 1 13 SER H 1 75 LYS HB2 . . 4.630 4.902 4.492 5.404 0.774 9 7 "[ -.** +1 .*** 2]" 1
113 1 13 SER H 1 75 LYS QG . . 5.500 4.705 3.672 5.301 . 0 0 "[ . 1 . 2]" 1
114 1 13 SER H 1 74 ALA MB . . 5.000 3.394 3.069 3.509 . 0 0 "[ . 1 . 2]" 1
115 1 12 VAL QG 1 13 SER H . . 4.040 2.524 2.271 2.829 . 0 0 "[ . 1 . 2]" 1
116 1 13 SER H 1 76 LEU QD . . 4.060 2.147 1.848 3.131 . 0 0 "[ . 1 . 2]" 1
117 1 45 PHE H 1 45 PHE HB2 . . 4.050 2.337 2.319 2.365 . 0 0 "[ . 1 . 2]" 1
118 1 40 CYS HB3 1 45 PHE H . . 4.830 2.731 2.587 2.792 . 0 0 "[ . 1 . 2]" 1
119 1 40 CYS HA 1 45 PHE H . . 4.110 2.369 2.229 2.623 . 0 0 "[ . 1 . 2]" 1
120 1 44 ASP HA 1 45 PHE H . . 3.620 2.545 2.523 2.562 . 0 0 "[ . 1 . 2]" 1
121 1 45 PHE H 1 45 PHE QD . . 4.800 3.510 3.477 3.550 . 0 0 "[ . 1 . 2]" 1
122 1 44 ASP H 1 45 PHE H . . 4.090 3.265 3.175 3.361 . 0 0 "[ . 1 . 2]" 1
123 1 45 PHE H 1 46 ASN H . . 5.350 4.482 4.474 4.488 . 0 0 "[ . 1 . 2]" 1
124 1 31 VAL QG 1 34 GLN H . . 3.860 2.362 1.858 3.150 . 0 0 "[ . 1 . 2]" 1
125 1 33 LEU HG 1 34 GLN H . . 3.880 1.967 1.921 2.070 . 0 0 "[ . 1 . 2]" 1
126 1 34 GLN H 1 34 GLN HB2 . . 3.660 3.531 3.514 3.552 . 0 0 "[ . 1 . 2]" 1
127 1 34 GLN H 1 34 GLN QG . . 3.200 2.469 2.368 2.526 . 0 0 "[ . 1 . 2]" 1
128 1 34 GLN H 1 35 VAL HA . . 5.500 5.165 5.153 5.182 . 0 0 "[ . 1 . 2]" 1
129 1 32 LEU HA 1 34 GLN H . . 5.010 4.212 4.095 4.270 . 0 0 "[ . 1 . 2]" 1
130 1 34 GLN H 1 35 VAL H . . 3.750 2.590 2.578 2.611 . 0 0 "[ . 1 . 2]" 1
131 1 33 LEU H 1 34 GLN H . . 4.200 2.670 2.646 2.696 . 0 0 "[ . 1 . 2]" 1
132 1 43 GLN HG2 1 44 ASP H . . 5.120 3.327 3.114 3.503 . 0 0 "[ . 1 . 2]" 1
133 1 42 ARG H 1 42 ARG HG3 . . 4.830 3.235 3.174 3.253 . 0 0 "[ . 1 . 2]" 1
134 1 39 THR HA 1 42 ARG H . . 5.500 3.286 3.259 3.333 . 0 0 "[ . 1 . 2]" 1
135 1 42 ARG H 1 42 ARG HD2 . . 5.340 2.641 2.486 2.754 . 0 0 "[ . 1 . 2]" 1
136 1 41 ARG HD2 1 42 ARG H . . 5.500 4.493 3.411 4.813 . 0 0 "[ . 1 . 2]" 1
137 1 52 LEU H 1 53 LYS H . . 4.840 4.409 4.400 4.424 . 0 0 "[ . 1 . 2]" 1
138 1 52 LEU H 1 58 VAL HA . . 5.500 5.665 5.599 5.714 0.214 5 0 "[ . 1 . 2]" 1
139 1 51 ASP HB3 1 52 LEU H . . 3.930 2.947 2.896 2.966 . 0 0 "[ . 1 . 2]" 1
140 1 51 ASP HB2 1 52 LEU H . . 4.110 4.187 4.132 4.204 0.094 1 0 "[ . 1 . 2]" 1
141 1 52 LEU H 1 58 VAL HB . . 5.370 5.390 5.321 5.444 0.074 19 0 "[ . 1 . 2]" 1
142 1 52 LEU H 1 52 LEU HB2 . . 4.010 2.747 2.640 2.822 . 0 0 "[ . 1 . 2]" 1
143 1 52 LEU H 1 52 LEU QD . . 3.790 2.483 1.899 3.368 . 0 0 "[ . 1 . 2]" 1
144 1 57 THR H 1 57 THR HB . . 3.310 2.449 2.410 2.508 . 0 0 "[ . 1 . 2]" 1
145 1 53 LYS HA 1 57 THR H . . 5.500 5.130 5.020 5.190 . 0 0 "[ . 1 . 2]" 1
146 1 37 GLU HA 1 40 CYS H . . 5.070 3.356 3.244 3.468 . 0 0 "[ . 1 . 2]" 1
147 1 40 CYS H 1 40 CYS HB3 . . 4.140 3.500 3.490 3.508 . 0 0 "[ . 1 . 2]" 1
148 1 40 CYS H 1 40 CYS HB2 . . 3.960 2.229 2.212 2.245 . 0 0 "[ . 1 . 2]" 1
149 1 56 ARG HB3 1 57 THR H . . 4.420 4.384 4.345 4.447 0.027 19 0 "[ . 1 . 2]" 1
150 1 56 ARG QG 1 57 THR H . . 4.670 4.545 4.463 4.652 . 0 0 "[ . 1 . 2]" 1
151 1 40 CYS H 1 42 ARG HG2 . . 4.570 4.134 4.114 4.154 . 0 0 "[ . 1 . 2]" 1
152 1 57 THR H 1 57 THR MG . . 4.190 3.750 3.679 3.803 . 0 0 "[ . 1 . 2]" 1
153 1 57 THR H 1 58 VAL QG . . 4.680 4.507 4.439 4.566 . 0 0 "[ . 1 . 2]" 1
154 1 39 THR H 1 40 CYS H . . 4.040 2.661 2.594 2.726 . 0 0 "[ . 1 . 2]" 1
155 1 40 CYS H 1 41 ARG H . . 4.600 2.514 2.511 2.522 . 0 0 "[ . 1 . 2]" 1
156 1 37 GLU H 1 40 CYS H . . 5.500 4.471 4.396 4.566 . 0 0 "[ . 1 . 2]" 1
157 1 40 CYS H 1 45 PHE H . . 5.500 4.804 4.703 4.981 . 0 0 "[ . 1 . 2]" 1
158 1 81 VAL QG 1 84 SER H . . 5.500 4.653 3.753 5.187 . 0 0 "[ . 1 . 2]" 1
159 1 64 GLN H 1 64 GLN HG2 . . 3.980 3.985 3.868 4.077 0.097 17 0 "[ . 1 . 2]" 1
160 1 64 GLN H 1 64 GLN HB3 . . 3.870 3.615 3.575 3.641 . 0 0 "[ . 1 . 2]" 1
161 1 64 GLN H 1 64 GLN HB2 . . 3.830 2.484 2.402 2.620 . 0 0 "[ . 1 . 2]" 1
162 1 32 LEU HB2 1 64 GLN H . . 5.500 5.331 5.072 5.594 0.094 19 0 "[ . 1 . 2]" 1
163 1 64 GLN H 1 67 PHE HB3 . . 5.500 3.911 3.509 4.155 . 0 0 "[ . 1 . 2]" 1
164 1 63 LEU HA 1 64 GLN H . . 3.290 2.200 2.181 2.254 . 0 0 "[ . 1 . 2]" 1
165 1 64 GLN H 1 67 PHE QD . . 4.390 3.082 2.329 3.992 . 0 0 "[ . 1 . 2]" 1
166 1 32 LEU H 1 64 GLN H . . 5.440 4.977 4.849 5.131 . 0 0 "[ . 1 . 2]" 1
167 1 63 LEU HB3 1 64 GLN H . . 4.300 3.823 3.699 4.030 . 0 0 "[ . 1 . 2]" 1
168 1 63 LEU QD 1 64 GLN H . . 4.000 3.619 3.226 3.844 . 0 0 "[ . 1 . 2]" 1
169 1 49 GLU H 1 49 GLU QG . . 3.610 3.105 2.933 3.216 . 0 0 "[ . 1 . 2]" 1
170 1 46 ASN HB3 1 49 GLU H . . 5.210 2.782 2.617 3.145 . 0 0 "[ . 1 . 2]" 1
171 1 46 ASN HB2 1 49 GLU H . . 5.370 3.899 3.425 4.370 . 0 0 "[ . 1 . 2]" 1
172 1 48 SER HB2 1 49 GLU H . . 4.560 4.379 4.217 4.513 . 0 0 "[ . 1 . 2]" 1
173 1 47 PRO HA 1 49 GLU H . . 5.130 3.354 3.313 3.375 . 0 0 "[ . 1 . 2]" 1
174 1 49 GLU H 1 50 TYR QD . . 4.600 4.293 4.167 4.480 . 0 0 "[ . 1 . 2]" 1
175 1 69 ASN H 1 70 LEU H . . 4.020 3.568 3.473 3.616 . 0 0 "[ . 1 . 2]" 1
176 1 65 TRP HH2 1 70 LEU H . . 5.500 5.370 5.013 5.539 0.039 4 0 "[ . 1 . 2]" 1
177 1 65 TRP HZ3 1 70 LEU H . . 5.500 5.431 5.034 5.557 0.057 12 0 "[ . 1 . 2]" 1
178 1 67 PHE H 1 67 PHE QD . . 4.600 3.416 2.872 3.701 . 0 0 "[ . 1 . 2]" 1
179 1 50 TYR H 1 50 TYR QD . . 4.120 3.844 3.793 3.894 . 0 0 "[ . 1 . 2]" 1
180 1 49 GLU H 1 50 TYR H . . 3.630 1.898 1.832 1.938 . 0 0 "[ . 1 . 2]" 1
181 1 50 TYR H 1 51 ASP H . . 5.040 4.323 4.308 4.351 . 0 0 "[ . 1 . 2]" 1
182 1 67 PHE H 1 67 PHE HB3 . . 4.160 3.475 3.424 3.524 . 0 0 "[ . 1 . 2]" 1
183 1 69 ASN HA 1 70 LEU H . . 3.650 2.338 2.313 2.406 . 0 0 "[ . 1 . 2]" 1
184 1 70 LEU H 1 71 PRO HD3 . . 5.190 4.805 4.792 4.820 . 0 0 "[ . 1 . 2]" 1
185 1 69 ASN HB2 1 70 LEU H . . 4.630 4.060 3.998 4.187 . 0 0 "[ . 1 . 2]" 1
186 1 67 PHE H 1 67 PHE HB2 . . 3.920 2.217 2.134 2.275 . 0 0 "[ . 1 . 2]" 1
187 1 64 GLN HB3 1 67 PHE H . . 4.910 3.612 3.356 3.823 . 0 0 "[ . 1 . 2]" 1
188 1 69 ASN HB3 1 70 LEU H . . 5.230 4.601 4.570 4.631 . 0 0 "[ . 1 . 2]" 1
189 1 50 TYR H 1 50 TYR QB . . 3.910 2.532 2.472 2.563 . 0 0 "[ . 1 . 2]" 1
190 1 49 GLU QG 1 50 TYR H . . 4.480 4.433 4.372 4.496 0.016 7 0 "[ . 1 . 2]" 1
191 1 49 GLU HB3 1 50 TYR H . . 4.650 4.299 4.203 4.367 . 0 0 "[ . 1 . 2]" 1
192 1 70 LEU H 1 70 LEU HG . . 4.670 3.590 2.137 4.374 . 0 0 "[ . 1 . 2]" 1
193 1 70 LEU H 1 74 ALA MB . . 4.860 4.302 4.125 4.625 . 0 0 "[ . 1 . 2]" 1
194 1 67 PHE H 1 68 ALA MB . . 4.240 3.844 3.719 3.964 . 0 0 "[ . 1 . 2]" 1
195 1 70 LEU H 1 70 LEU HB2 . . 3.660 2.459 2.206 2.729 . 0 0 "[ . 1 . 2]" 1
196 1 70 LEU H 1 70 LEU QD . . 3.690 2.568 1.878 3.411 . 0 0 "[ . 1 . 2]" 1
197 1 66 ARG HG2 1 67 PHE H . . 4.640 3.136 2.621 3.818 . 0 0 "[ . 1 . 2]" 1
198 1 38 ASP H 1 39 THR H . . 3.870 2.767 2.705 2.803 . 0 0 "[ . 1 . 2]" 1
199 1 41 ARG H 1 42 ARG H . . 4.070 2.668 2.656 2.703 . 0 0 "[ . 1 . 2]" 1
200 1 40 CYS HB2 1 41 ARG H . . 4.270 2.944 2.929 2.960 . 0 0 "[ . 1 . 2]" 1
201 1 37 GLU HA 1 41 ARG H . . 5.190 3.970 3.778 4.160 . 0 0 "[ . 1 . 2]" 1
202 1 40 CYS HB3 1 41 ARG H . . 4.320 3.621 3.599 3.640 . 0 0 "[ . 1 . 2]" 1
203 1 41 ARG H 1 42 ARG HG2 . . 4.250 3.586 3.552 3.604 . 0 0 "[ . 1 . 2]" 1
204 1 41 ARG H 1 41 ARG HB3 . . 3.490 2.058 2.035 2.066 . 0 0 "[ . 1 . 2]" 1
205 1 38 ASP H 1 38 ASP HB3 . . 3.380 3.398 3.352 3.467 0.087 18 0 "[ . 1 . 2]" 1
206 1 38 ASP H 1 38 ASP HB2 . . 3.530 2.089 2.049 2.181 . 0 0 "[ . 1 . 2]" 1
207 1 38 ASP H 1 42 ARG HD3 . . 5.500 5.110 4.974 5.221 . 0 0 "[ . 1 . 2]" 1
208 1 38 ASP H 1 39 THR HA . . 5.300 5.301 5.251 5.330 0.030 6 0 "[ . 1 . 2]" 1
209 1 37 GLU HB3 1 38 ASP H . . 3.920 3.643 3.539 3.786 . 0 0 "[ . 1 . 2]" 1
210 1 36 LEU QD 1 38 ASP H . . 5.500 4.948 4.567 5.183 . 0 0 "[ . 1 . 2]" 1
211 1 34 GLN HA 1 38 ASP H . . 4.460 3.891 3.724 3.991 . 0 0 "[ . 1 . 2]" 1
212 1 37 GLU H 1 38 ASP H . . 4.030 2.638 2.594 2.709 . 0 0 "[ . 1 . 2]" 1
213 1 72 ASN HA 1 73 ASN H . . 3.630 3.610 3.580 3.642 0.012 4 0 "[ . 1 . 2]" 1
214 1 73 ASN H 1 74 ALA HA . . 5.500 4.803 4.748 4.834 . 0 0 "[ . 1 . 2]" 1
215 1 72 ASN HB2 1 73 ASN H . . 4.270 2.185 1.998 2.464 . 0 0 "[ . 1 . 2]" 1
216 1 73 ASN H 1 74 ALA MB . . 4.970 4.711 4.629 4.749 . 0 0 "[ . 1 . 2]" 1
217 1 11 ALA MB 1 73 ASN H . . 5.230 4.048 3.828 4.306 . 0 0 "[ . 1 . 2]" 1
218 1 50 TYR HA 1 51 ASP H . . 3.540 2.248 2.247 2.249 . 0 0 "[ . 1 . 2]" 1
219 1 51 ASP H 1 80 PRO HA . . 4.620 3.325 3.177 3.456 . 0 0 "[ . 1 . 2]" 1
220 1 51 ASP H 1 52 LEU HA . . 4.700 4.708 4.705 4.710 0.010 13 0 "[ . 1 . 2]" 1
221 1 50 TYR QD 1 51 ASP H . . 4.660 3.588 3.546 3.651 . 0 0 "[ . 1 . 2]" 1
222 1 51 ASP H 1 81 VAL H . . 4.740 3.774 3.637 3.912 . 0 0 "[ . 1 . 2]" 1
223 1 51 ASP H 1 52 LEU H . . 5.500 4.423 4.422 4.425 . 0 0 "[ . 1 . 2]" 1
224 1 50 TYR QB 1 51 ASP H . . 4.270 3.105 3.097 3.112 . 0 0 "[ . 1 . 2]" 1
225 1 51 ASP H 1 51 ASP HB2 . . 3.780 2.492 2.486 2.513 . 0 0 "[ . 1 . 2]" 1
226 1 51 ASP H 1 78 MET QG . . 4.850 4.414 4.029 5.017 0.167 18 0 "[ . 1 . 2]" 1
227 1 51 ASP H 1 81 VAL HB . . 5.470 5.085 4.938 5.469 . 0 0 "[ . 1 . 2]" 1
228 1 51 ASP H 1 79 VAL QG . . 3.840 2.649 2.587 2.745 . 0 0 "[ . 1 . 2]" 1
229 1 33 LEU H 1 37 GLU H . . 5.500 5.492 5.401 5.549 0.049 10 0 "[ . 1 . 2]" 1
230 1 36 LEU H 1 37 GLU H . . 3.840 2.683 2.626 2.743 . 0 0 "[ . 1 . 2]" 1
231 1 34 GLN HA 1 37 GLU H . . 4.170 3.551 3.465 3.622 . 0 0 "[ . 1 . 2]" 1
232 1 37 GLU H 1 37 GLU HG3 . . 3.810 3.266 3.099 3.373 . 0 0 "[ . 1 . 2]" 1
233 1 37 GLU H 1 37 GLU HB3 . . 3.690 3.534 3.517 3.552 . 0 0 "[ . 1 . 2]" 1
234 1 37 GLU H 1 37 GLU HG2 . . 3.610 2.441 2.264 2.596 . 0 0 "[ . 1 . 2]" 1
235 1 36 LEU QD 1 37 GLU H . . 4.280 3.661 2.886 4.004 . 0 0 "[ . 1 . 2]" 1
236 1 35 VAL MG2 1 37 GLU H . . 4.870 4.126 4.058 4.248 . 0 0 "[ . 1 . 2]" 1
237 1 36 LEU HB2 1 37 GLU H . . 4.410 3.969 3.735 4.103 . 0 0 "[ . 1 . 2]" 1
238 1 33 LEU H 1 35 VAL H . . 5.050 3.980 3.944 4.063 . 0 0 "[ . 1 . 2]" 1
239 1 33 LEU H 1 34 GLN QG . . 4.840 4.279 4.133 4.368 . 0 0 "[ . 1 . 2]" 1
240 1 32 LEU HB2 1 33 LEU H . . 3.970 3.242 3.217 3.272 . 0 0 "[ . 1 . 2]" 1
241 1 33 LEU H 1 33 LEU HB3 . . 3.240 2.390 2.267 2.489 . 0 0 "[ . 1 . 2]" 1
242 1 31 VAL QG 1 33 LEU H . . 3.370 2.785 1.864 3.216 . 0 0 "[ . 1 . 2]" 1
243 1 79 VAL H 1 79 VAL QG . . 3.500 2.448 2.271 2.589 . 0 0 "[ . 1 . 2]" 1
244 1 78 MET ME 1 79 VAL H . . 3.630 3.313 2.980 3.726 0.096 12 0 "[ . 1 . 2]" 1
245 1 50 TYR QB 1 79 VAL H . . 5.030 4.306 4.183 4.529 . 0 0 "[ . 1 . 2]" 1
246 1 79 VAL H 1 79 VAL HB . . 4.180 3.445 3.017 3.929 . 0 0 "[ . 1 . 2]" 1
247 1 78 MET HB3 1 79 VAL H . . 4.690 3.735 3.652 3.841 . 0 0 "[ . 1 . 2]" 1
248 1 33 LEU H 1 33 LEU HG . . 4.530 2.363 2.209 2.574 . 0 0 "[ . 1 . 2]" 1
249 1 79 VAL H 1 80 PRO HD2 . . 5.500 4.960 4.941 4.980 . 0 0 "[ . 1 . 2]" 1
250 1 78 MET HA 1 79 VAL H . . 3.290 2.246 2.222 2.264 . 0 0 "[ . 1 . 2]" 1
251 1 50 TYR HA 1 79 VAL H . . 4.320 4.324 4.178 4.487 0.167 9 0 "[ . 1 . 2]" 1
252 1 50 TYR QD 1 79 VAL H . . 4.820 4.452 4.343 4.588 . 0 0 "[ . 1 . 2]" 1
253 1 78 MET H 1 79 VAL H . . 5.220 4.568 4.533 4.591 . 0 0 "[ . 1 . 2]" 1
254 1 51 ASP H 1 79 VAL H . . 4.230 2.670 2.527 2.804 . 0 0 "[ . 1 . 2]" 1
255 1 52 LEU H 1 79 VAL H . . 5.500 4.926 4.854 4.985 . 0 0 "[ . 1 . 2]" 1
256 1 73 ASN H 1 74 ALA H . . 4.060 2.704 2.661 2.726 . 0 0 "[ . 1 . 2]" 1
257 1 72 ASN H 1 74 ALA H . . 5.070 3.547 3.514 3.580 . 0 0 "[ . 1 . 2]" 1
258 1 72 ASN HA 1 74 ALA H . . 3.920 3.757 3.697 3.820 . 0 0 "[ . 1 . 2]" 1
259 1 71 PRO HD2 1 74 ALA H . . 4.400 3.660 3.597 3.712 . 0 0 "[ . 1 . 2]" 1
260 1 71 PRO QG 1 74 ALA H . . 4.540 3.096 3.003 3.147 . 0 0 "[ . 1 . 2]" 1
261 1 74 ALA H 1 74 ALA MB . . 3.210 2.592 2.475 2.640 . 0 0 "[ . 1 . 2]" 1
262 1 34 GLN HB2 1 35 VAL H . . 4.200 4.035 3.971 4.073 . 0 0 "[ . 1 . 2]" 1
263 1 34 GLN QG 1 35 VAL H . . 3.420 1.760 1.673 1.828 . 0 0 "[ . 1 . 2]" 1
264 1 35 VAL H 1 35 VAL MG2 . . 3.280 2.602 2.567 2.635 . 0 0 "[ . 1 . 2]" 1
265 1 31 VAL QG 1 35 VAL H . . 4.640 3.999 3.599 4.686 0.046 8 0 "[ . 1 . 2]" 1
266 1 26 VAL QG 1 35 VAL H . . 5.500 4.526 4.219 4.775 . 0 0 "[ . 1 . 2]" 1
267 1 32 LEU HA 1 35 VAL H . . 4.310 3.039 2.990 3.068 . 0 0 "[ . 1 . 2]" 1
268 1 35 VAL H 1 37 GLU H . . 5.210 3.880 3.773 4.023 . 0 0 "[ . 1 . 2]" 1
269 1 16 ALA H 1 20 ARG H . . 4.930 3.880 3.709 4.001 . 0 0 "[ . 1 . 2]" 1
270 1 18 ASN HA 1 20 ARG H . . 4.640 4.653 4.605 4.695 0.055 17 0 "[ . 1 . 2]" 1
271 1 20 ARG H 1 20 ARG QD . . 4.770 4.619 4.375 4.806 0.036 16 0 "[ . 1 . 2]" 1
272 1 18 ASN HB2 1 20 ARG H . . 5.280 4.574 4.214 4.735 . 0 0 "[ . 1 . 2]" 1
273 1 20 ARG H 1 20 ARG QB . . 3.330 2.342 2.277 2.476 . 0 0 "[ . 1 . 2]" 1
274 1 80 PRO HB2 1 81 VAL H . . 3.640 3.554 3.551 3.558 . 0 0 "[ . 1 . 2]" 1
275 1 50 TYR QB 1 81 VAL H . . 5.250 4.295 4.226 4.385 . 0 0 "[ . 1 . 2]" 1
276 1 80 PRO HB3 1 81 VAL H . . 4.100 3.901 3.898 3.903 . 0 0 "[ . 1 . 2]" 1
277 1 80 PRO HD2 1 81 VAL H . . 5.500 5.493 5.492 5.494 . 0 0 "[ . 1 . 2]" 1
278 1 80 PRO HA 1 81 VAL H . . 3.400 2.173 2.173 2.174 . 0 0 "[ . 1 . 2]" 1
279 1 50 TYR HA 1 81 VAL H . . 3.830 2.315 2.239 2.429 . 0 0 "[ . 1 . 2]" 1
280 1 50 TYR QD 1 81 VAL H . . 4.900 3.661 3.492 3.800 . 0 0 "[ . 1 . 2]" 1
281 1 67 PHE H 1 68 ALA H . . 3.480 2.324 2.170 2.449 . 0 0 "[ . 1 . 2]" 1
282 1 67 PHE QD 1 68 ALA H . . 4.600 4.217 4.137 4.304 . 0 0 "[ . 1 . 2]" 1
283 1 67 PHE HB3 1 68 ALA H . . 4.880 2.889 2.774 3.093 . 0 0 "[ . 1 . 2]" 1
284 1 67 PHE HB2 1 68 ALA H . . 4.640 2.262 2.144 2.396 . 0 0 "[ . 1 . 2]" 1
285 1 68 ALA H 1 68 ALA MB . . 3.270 2.079 1.933 2.162 . 0 0 "[ . 1 . 2]" 1
286 1 63 LEU QD 1 68 ALA H . . 4.460 4.328 4.118 4.445 . 0 0 "[ . 1 . 2]" 1
287 1 68 ALA H 1 70 LEU QD . . 5.500 4.003 3.605 4.935 . 0 0 "[ . 1 . 2]" 1
288 1 81 VAL H 1 81 VAL QG . . 3.170 2.817 2.539 2.901 . 0 0 "[ . 1 . 2]" 1
289 1 35 VAL HB 1 36 LEU H . . 3.890 3.956 3.928 4.007 0.117 10 0 "[ . 1 . 2]" 1
290 1 36 LEU H 1 36 LEU HB3 . . 3.910 2.439 2.293 2.702 . 0 0 "[ . 1 . 2]" 1
291 1 36 LEU H 1 37 GLU HG2 . . 4.680 4.674 4.567 4.757 0.077 3 0 "[ . 1 . 2]" 1
292 1 36 LEU H 1 36 LEU HB2 . . 3.890 2.442 2.197 2.591 . 0 0 "[ . 1 . 2]" 1
293 1 36 LEU H 1 36 LEU QD . . 4.120 3.673 3.594 3.711 . 0 0 "[ . 1 . 2]" 1
294 1 35 VAL MG2 1 36 LEU H . . 3.510 1.909 1.862 2.038 . 0 0 "[ . 1 . 2]" 1
295 1 34 GLN H 1 36 LEU H . . 5.310 4.169 4.068 4.208 . 0 0 "[ . 1 . 2]" 1
296 1 32 LEU HB2 1 63 LEU H . . 4.880 3.754 3.323 4.059 . 0 0 "[ . 1 . 2]" 1
297 1 60 ASP HB2 1 63 LEU H . . 5.350 5.388 5.340 5.449 0.099 10 0 "[ . 1 . 2]" 1
298 1 63 LEU H 1 63 LEU HB3 . . 3.790 3.818 3.686 3.902 0.112 18 0 "[ . 1 . 2]" 1
299 1 63 LEU H 1 63 LEU QD . . 3.910 3.121 2.468 3.659 . 0 0 "[ . 1 . 2]" 1
300 1 60 ASP HB3 1 63 LEU H . . 4.890 4.016 3.917 4.153 . 0 0 "[ . 1 . 2]" 1
301 1 61 LEU HA 1 63 LEU H . . 4.340 3.551 3.486 3.700 . 0 0 "[ . 1 . 2]" 1
302 1 63 LEU H 1 64 GLN HA . . 5.160 4.381 4.281 4.474 . 0 0 "[ . 1 . 2]" 1
303 1 60 ASP HA 1 63 LEU H . . 5.500 5.607 5.511 5.649 0.149 19 0 "[ . 1 . 2]" 1
304 1 63 LEU H 1 64 GLN H . . 4.810 3.928 3.767 4.012 . 0 0 "[ . 1 . 2]" 1
305 1 60 ASP H 1 63 LEU H . . 5.500 3.981 3.681 4.129 . 0 0 "[ . 1 . 2]" 1
306 1 61 LEU H 1 63 LEU H . . 5.310 4.264 4.204 4.671 . 0 0 "[ . 1 . 2]" 1
307 1 62 SER H 1 63 LEU H . . 3.540 3.136 2.488 3.211 . 0 0 "[ . 1 . 2]" 1
308 1 60 ASP H 1 60 ASP HB3 . . 3.750 3.021 2.981 3.084 . 0 0 "[ . 1 . 2]" 1
309 1 60 ASP H 1 60 ASP HB2 . . 3.780 2.925 2.872 3.011 . 0 0 "[ . 1 . 2]" 1
310 1 59 LEU HB3 1 60 ASP H . . 4.090 3.588 3.466 3.638 . 0 0 "[ . 1 . 2]" 1
311 1 59 LEU HA 1 60 ASP H . . 3.320 2.178 2.176 2.186 . 0 0 "[ . 1 . 2]" 1
312 1 59 LEU H 1 60 ASP H . . 4.980 4.305 4.271 4.346 . 0 0 "[ . 1 . 2]" 1
313 1 60 ASP H 1 61 LEU HA . . 5.040 4.768 4.718 4.804 . 0 0 "[ . 1 . 2]" 1
314 1 74 ALA HA 1 75 LYS H . . 3.270 2.324 2.277 2.415 . 0 0 "[ . 1 . 2]" 1
315 1 13 SER HB2 1 75 LYS H . . 5.500 5.417 5.081 5.679 0.179 10 0 "[ . 1 . 2]" 1
316 1 75 LYS H 1 75 LYS QE . . 5.150 3.666 1.810 4.621 . 0 0 "[ . 1 . 2]" 1
317 1 75 LYS H 1 75 LYS QG . . 3.920 2.181 2.026 2.554 . 0 0 "[ . 1 . 2]" 1
318 1 74 ALA MB 1 75 LYS H . . 3.830 3.690 3.642 3.749 . 0 0 "[ . 1 . 2]" 1
319 1 75 LYS H 1 76 LEU QD . . 5.240 3.191 2.943 4.319 . 0 0 "[ . 1 . 2]" 1
320 1 70 LEU HB3 1 75 LYS H . . 5.500 4.963 4.787 5.274 . 0 0 "[ . 1 . 2]" 1
321 1 13 SER H 1 75 LYS H . . 5.500 4.233 4.083 4.331 . 0 0 "[ . 1 . 2]" 1
322 1 75 LYS H 1 76 LEU H . . 5.270 4.462 4.400 4.534 . 0 0 "[ . 1 . 2]" 1
323 1 74 ALA H 1 75 LYS H . . 4.000 3.649 3.482 3.764 . 0 0 "[ . 1 . 2]" 1
324 1 12 VAL QG 1 75 LYS H . . 5.500 4.679 4.511 4.913 . 0 0 "[ . 1 . 2]" 1
325 1 76 LEU HB2 1 77 GLU H . . 3.550 3.483 3.369 3.565 0.015 16 0 "[ . 1 . 2]" 1
326 1 77 GLU H 1 77 GLU QG . . 4.240 2.607 2.218 3.033 . 0 0 "[ . 1 . 2]" 1
327 1 53 LYS HB3 1 77 GLU H . . 4.440 4.400 4.240 4.517 0.077 6 0 "[ . 1 . 2]" 1
328 1 76 LEU HB3 1 77 GLU H . . 3.810 2.903 2.835 2.972 . 0 0 "[ . 1 . 2]" 1
329 1 76 LEU QD 1 77 GLU H . . 4.030 3.901 3.859 3.964 . 0 0 "[ . 1 . 2]" 1
330 1 14 VAL HA 1 77 GLU H . . 5.500 5.026 4.725 5.207 . 0 0 "[ . 1 . 2]" 1
331 1 76 LEU HA 1 77 GLU H . . 3.330 2.355 2.325 2.368 . 0 0 "[ . 1 . 2]" 1
332 1 15 LEU H 1 77 GLU H . . 5.360 4.890 4.735 5.010 . 0 0 "[ . 1 . 2]" 1
333 1 52 LEU HA 1 53 LYS H . . 3.290 2.224 2.218 2.236 . 0 0 "[ . 1 . 2]" 1
334 1 53 LYS H 1 53 LYS HB3 . . 3.790 2.861 2.766 2.941 . 0 0 "[ . 1 . 2]" 1
335 1 53 LYS H 1 76 LEU HB2 . . 4.450 4.363 4.090 4.520 0.070 4 0 "[ . 1 . 2]" 1
336 1 53 LYS H 1 53 LYS HB2 . . 4.010 3.423 3.288 3.602 . 0 0 "[ . 1 . 2]" 1
337 1 53 LYS H 1 59 LEU QD . . 4.140 3.775 3.228 4.061 . 0 0 "[ . 1 . 2]" 1
338 1 53 LYS H 1 77 GLU QG . . 4.970 2.998 2.136 4.471 . 0 0 "[ . 1 . 2]" 1
339 1 53 LYS H 1 53 LYS HE2 . . 5.310 4.951 4.545 5.211 . 0 0 "[ . 1 . 2]" 1
340 1 46 ASN H 1 46 ASN HB3 . . 3.650 3.369 3.008 3.632 . 0 0 "[ . 1 . 2]" 1
341 1 40 CYS HB3 1 46 ASN H . . 5.500 5.023 4.939 5.080 . 0 0 "[ . 1 . 2]" 1
342 1 53 LYS H 1 58 VAL HA . . 5.500 4.827 4.748 4.896 . 0 0 "[ . 1 . 2]" 1
343 1 53 LYS H 1 76 LEU HA . . 5.120 4.397 4.274 4.526 . 0 0 "[ . 1 . 2]" 1
344 1 53 LYS H 1 79 VAL H . . 5.500 5.040 4.920 5.123 . 0 0 "[ . 1 . 2]" 1
345 1 46 ASN H 1 46 ASN HB2 . . 3.890 2.446 2.378 2.614 . 0 0 "[ . 1 . 2]" 1
346 1 45 PHE HB2 1 46 ASN H . . 4.460 4.137 4.133 4.145 . 0 0 "[ . 1 . 2]" 1
347 1 46 ASN H 1 47 PRO HD3 . . 5.210 4.632 4.608 4.657 . 0 0 "[ . 1 . 2]" 1
348 1 46 ASN H 1 50 TYR QE . . 4.670 2.732 2.529 3.011 . 0 0 "[ . 1 . 2]" 1
349 1 45 PHE QD 1 46 ASN H . . 4.870 3.868 3.853 3.889 . 0 0 "[ . 1 . 2]" 1
350 1 46 ASN H 1 49 GLU H . . 5.500 4.396 4.342 4.462 . 0 0 "[ . 1 . 2]" 1
351 1 46 ASN H 1 49 GLU HB2 . . 5.310 3.480 3.378 3.569 . 0 0 "[ . 1 . 2]" 1
352 1 20 ARG HG2 1 21 ARG H . . 5.360 4.367 3.590 4.768 . 0 0 "[ . 1 . 2]" 1
353 1 20 ARG H 1 21 ARG H . . 5.500 4.284 4.264 4.303 . 0 0 "[ . 1 . 2]" 1
354 1 77 GLU HA 1 78 MET H . . 3.340 2.247 2.220 2.316 . 0 0 "[ . 1 . 2]" 1
355 1 27 THR H 1 30 THR H . . 4.460 3.823 3.638 4.031 . 0 0 "[ . 1 . 2]" 1
356 1 15 LEU H 1 78 MET H . . 4.190 3.363 3.180 3.619 . 0 0 "[ . 1 . 2]" 1
357 1 77 GLU H 1 78 MET H . . 4.850 4.505 4.456 4.550 . 0 0 "[ . 1 . 2]" 1
358 1 77 GLU QB 1 78 MET H . . 3.690 3.232 2.902 3.433 . 0 0 "[ . 1 . 2]" 1
359 1 78 MET H 1 78 MET HB2 . . 3.960 2.169 2.102 2.289 . 0 0 "[ . 1 . 2]" 1
360 1 30 THR H 1 65 TRP HB2 . . 4.960 4.921 4.757 5.017 0.057 18 0 "[ . 1 . 2]" 1
361 1 30 THR H 1 65 TRP HB3 . . 4.980 3.731 3.551 3.836 . 0 0 "[ . 1 . 2]" 1
362 1 15 LEU QD 1 78 MET H . . 4.170 3.003 2.426 3.410 . 0 0 "[ . 1 . 2]" 1
363 1 30 THR H 1 31 VAL QG . . 4.910 4.969 4.949 4.989 0.079 6 0 "[ . 1 . 2]" 1
364 1 17 PRO HD3 1 78 MET H . . 3.980 2.986 2.730 3.142 . 0 0 "[ . 1 . 2]" 1
365 1 77 GLU QG 1 78 MET H . . 5.050 3.767 3.039 4.534 . 0 0 "[ . 1 . 2]" 1
366 1 48 SER HA 1 83 ARG H . . 5.500 2.600 2.252 3.105 . 0 0 "[ . 1 . 2]" 1
367 1 75 LYS HB2 1 76 LEU H . . 3.540 3.769 3.384 4.345 0.805 6 7 "[ *.+- *1 .*** 2]" 1
368 1 75 LYS QG 1 76 LEU H . . 4.570 4.367 4.148 4.537 . 0 0 "[ . 1 . 2]" 1
369 1 76 LEU H 1 76 LEU HB3 . . 4.120 3.767 3.729 3.798 . 0 0 "[ . 1 . 2]" 1
370 1 12 VAL QG 1 76 LEU H . . 4.400 3.850 3.626 4.229 . 0 0 "[ . 1 . 2]" 1
371 1 13 SER HB2 1 76 LEU H . . 5.150 4.897 4.475 5.128 . 0 0 "[ . 1 . 2]" 1
372 1 14 VAL HA 1 76 LEU H . . 4.520 2.840 2.562 3.079 . 0 0 "[ . 1 . 2]" 1
373 1 75 LYS HA 1 76 LEU H . . 3.380 2.181 2.176 2.194 . 0 0 "[ . 1 . 2]" 1
374 1 14 VAL H 1 76 LEU H . . 5.500 4.456 4.333 4.574 . 0 0 "[ . 1 . 2]" 1
375 1 53 LYS HA 1 54 PHE H . . 3.410 2.263 2.235 2.277 . 0 0 "[ . 1 . 2]" 1
376 1 54 PHE H 1 58 VAL HA . . 4.430 3.213 3.109 3.359 . 0 0 "[ . 1 . 2]" 1
377 1 54 PHE H 1 54 PHE QD . . 4.750 3.690 3.255 3.957 . 0 0 "[ . 1 . 2]" 1
378 1 53 LYS H 1 54 PHE H . . 5.070 4.295 4.258 4.317 . 0 0 "[ . 1 . 2]" 1
379 1 54 PHE H 1 57 THR H . . 4.830 3.232 3.163 3.310 . 0 0 "[ . 1 . 2]" 1
380 1 53 LYS QG 1 54 PHE H . . 3.960 2.326 2.205 2.475 . 0 0 "[ . 1 . 2]" 1
381 1 53 LYS HB2 1 54 PHE H . . 4.460 4.083 3.880 4.238 . 0 0 "[ . 1 . 2]" 1
382 1 54 PHE H 1 55 GLN HB2 . . 5.500 5.480 4.944 6.071 0.571 20 3 "[ * . 1 - +]" 1
383 1 54 PHE H 1 70 LEU QD . . 5.500 4.907 4.282 5.374 . 0 0 "[ . 1 . 2]" 1
384 1 22 HIS HB2 1 23 THR H . . 5.380 3.112 3.081 3.183 . 0 0 "[ . 1 . 2]" 1
385 1 22 HIS HB3 1 23 THR H . . 5.500 4.178 4.116 4.247 . 0 0 "[ . 1 . 2]" 1
386 1 60 ASP HA 1 61 LEU H . . 3.260 3.059 2.958 3.127 . 0 0 "[ . 1 . 2]" 1
387 1 23 THR H 1 24 VAL HA . . 5.500 4.855 4.849 4.864 . 0 0 "[ . 1 . 2]" 1
388 1 60 ASP HB2 1 61 LEU H . . 4.640 3.396 3.320 3.511 . 0 0 "[ . 1 . 2]" 1
389 1 60 ASP HB3 1 61 LEU H . . 4.930 2.068 1.928 2.280 . 0 0 "[ . 1 . 2]" 1
390 1 61 LEU H 1 61 LEU HG . . 3.480 2.464 2.037 2.714 . 0 0 "[ . 1 . 2]" 1
391 1 61 LEU H 1 61 LEU HB2 . . 3.880 2.488 2.368 2.702 . 0 0 "[ . 1 . 2]" 1
392 1 33 LEU HB3 1 61 LEU H . . 5.210 5.320 5.278 5.422 0.212 6 0 "[ . 1 . 2]" 1
393 1 61 LEU H 1 61 LEU HB3 . . 4.060 3.603 3.577 3.622 . 0 0 "[ . 1 . 2]" 1
394 1 61 LEU H 1 61 LEU MD2 . . 3.940 3.739 3.379 3.969 0.029 10 0 "[ . 1 . 2]" 1
395 1 36 LEU QD 1 61 LEU H . . 4.070 3.690 3.388 3.948 . 0 0 "[ . 1 . 2]" 1
396 1 61 LEU H 1 62 SER H . . 4.060 2.259 2.211 2.552 . 0 0 "[ . 1 . 2]" 1
397 1 60 ASP H 1 61 LEU H . . 5.020 4.129 4.051 4.227 . 0 0 "[ . 1 . 2]" 1
398 1 14 VAL H 1 14 VAL HB . . 3.880 2.998 2.933 3.099 . 0 0 "[ . 1 . 2]" 1
399 1 65 TRP H 1 65 TRP HB2 . . 3.760 2.587 2.525 2.686 . 0 0 "[ . 1 . 2]" 1
400 1 65 TRP H 1 65 TRP HB3 . . 3.840 2.345 2.260 2.402 . 0 0 "[ . 1 . 2]" 1
401 1 64 GLN HG2 1 65 TRP H . . 4.870 4.794 4.434 4.929 0.059 17 0 "[ . 1 . 2]" 1
402 1 64 GLN HB3 1 65 TRP H . . 4.130 2.802 2.611 3.012 . 0 0 "[ . 1 . 2]" 1
403 1 64 GLN HB2 1 65 TRP H . . 4.740 3.871 3.606 4.071 . 0 0 "[ . 1 . 2]" 1
404 1 31 VAL QG 1 65 TRP H . . 4.430 4.156 3.731 4.359 . 0 0 "[ . 1 . 2]" 1
405 1 13 SER HB3 1 14 VAL H . . 4.120 4.134 3.973 4.362 0.242 10 0 "[ . 1 . 2]" 1
406 1 14 VAL H 1 23 THR HA . . 4.160 2.158 2.004 2.335 . 0 0 "[ . 1 . 2]" 1
407 1 13 SER HA 1 14 VAL H . . 3.390 2.258 2.234 2.281 . 0 0 "[ . 1 . 2]" 1
408 1 65 TRP H 1 65 TRP HD1 . . 5.500 4.714 4.596 4.784 . 0 0 "[ . 1 . 2]" 1
409 1 65 TRP H 1 65 TRP HE3 . . 5.260 4.876 4.801 4.990 . 0 0 "[ . 1 . 2]" 1
410 1 64 GLN H 1 65 TRP H . . 4.820 4.599 4.579 4.625 . 0 0 "[ . 1 . 2]" 1
411 1 65 TRP H 1 66 ARG H . . 4.260 2.605 2.586 2.635 . 0 0 "[ . 1 . 2]" 1
412 1 14 VAL H 1 24 VAL H . . 4.650 3.419 3.321 3.493 . 0 0 "[ . 1 . 2]" 1
413 1 13 SER H 1 14 VAL H . . 5.260 4.364 4.250 4.425 . 0 0 "[ . 1 . 2]" 1
414 1 65 TRP H 1 67 PHE H . . 5.500 3.876 3.791 3.989 . 0 0 "[ . 1 . 2]" 1
415 1 14 VAL H 1 14 VAL MG2 . . 3.660 2.139 2.050 2.227 . 0 0 "[ . 1 . 2]" 1
416 1 14 VAL H 1 76 LEU QD . . 4.700 3.946 3.547 4.689 . 0 0 "[ . 1 . 2]" 1
417 1 32 LEU MD2 1 65 TRP H . . 4.820 3.891 2.122 4.855 0.035 6 0 "[ . 1 . 2]" 1
418 1 10 SER HB2 1 11 ALA H . . 4.110 4.010 3.432 4.316 0.206 13 0 "[ . 1 . 2]" 1
419 1 22 HIS H 1 22 HIS HB3 . . 4.060 3.257 3.152 3.346 . 0 0 "[ . 1 . 2]" 1
420 1 14 VAL HB 1 22 HIS H . . 4.840 3.976 3.772 4.231 . 0 0 "[ . 1 . 2]" 1
421 1 21 ARG QB 1 22 HIS H . . 3.940 3.599 3.253 3.740 . 0 0 "[ . 1 . 2]" 1
422 1 22 HIS H 1 23 THR MG . . 5.500 5.151 3.781 5.391 . 0 0 "[ . 1 . 2]" 1
423 1 14 VAL MG2 1 22 HIS H . . 4.580 4.605 4.548 4.668 0.088 17 0 "[ . 1 . 2]" 1
424 1 21 ARG HG2 1 22 HIS H . . 5.280 4.204 3.420 5.037 . 0 0 "[ . 1 . 2]" 1
425 1 22 HIS H 1 22 HIS HB2 . . 3.920 3.876 3.848 3.898 . 0 0 "[ . 1 . 2]" 1
426 1 21 ARG HA 1 22 HIS H . . 3.370 2.228 2.225 2.241 . 0 0 "[ . 1 . 2]" 1
427 1 22 HIS H 1 22 HIS HD2 . . 5.500 5.045 4.922 5.178 . 0 0 "[ . 1 . 2]" 1
428 1 22 HIS H 1 23 THR H . . 5.500 4.328 4.300 4.341 . 0 0 "[ . 1 . 2]" 1
429 1 21 ARG H 1 22 HIS H . . 5.500 4.346 4.322 4.418 . 0 0 "[ . 1 . 2]" 1
430 1 14 VAL H 1 22 HIS H . . 4.400 3.879 3.823 3.984 . 0 0 "[ . 1 . 2]" 1
431 1 11 ALA H 1 72 ASN HB2 . . 5.500 4.370 4.104 4.571 . 0 0 "[ . 1 . 2]" 1
432 1 11 ALA H 1 25 LYS HB2 . . 5.500 5.603 5.480 5.684 0.184 6 0 "[ . 1 . 2]" 1
433 1 11 ALA H 1 74 ALA MB . . 5.500 3.487 3.165 3.677 . 0 0 "[ . 1 . 2]" 1
434 1 11 ALA H 1 73 ASN HA . . 4.880 3.230 2.928 3.521 . 0 0 "[ . 1 . 2]" 1
435 1 10 SER HA 1 11 ALA H . . 3.420 2.360 2.224 2.544 . 0 0 "[ . 1 . 2]" 1
436 1 11 ALA H 1 26 VAL H . . 5.500 4.636 4.017 4.926 . 0 0 "[ . 1 . 2]" 1
437 1 11 ALA H 1 12 VAL H . . 5.050 4.322 4.292 4.388 . 0 0 "[ . 1 . 2]" 1
438 1 11 ALA H 1 73 ASN H . . 5.100 4.515 4.272 4.780 . 0 0 "[ . 1 . 2]" 1
439 1 11 ALA H 1 12 VAL QG . . 5.500 4.275 3.591 4.766 . 0 0 "[ . 1 . 2]" 1
440 1 11 ALA H 1 26 VAL QG . . 5.140 4.603 3.808 5.011 . 0 0 "[ . 1 . 2]" 1
441 1 24 VAL QG 1 25 LYS H . . 3.480 2.666 2.467 2.811 . 0 0 "[ . 1 . 2]" 1
442 1 12 VAL QG 1 25 LYS H . . 5.260 4.674 4.262 4.926 . 0 0 "[ . 1 . 2]" 1
443 1 25 LYS H 1 26 VAL QG . . 5.500 3.895 3.594 4.525 . 0 0 "[ . 1 . 2]" 1
444 1 25 LYS H 1 25 LYS HG2 . . 4.480 2.253 1.912 3.042 . 0 0 "[ . 1 . 2]" 1
445 1 25 LYS H 1 25 LYS QE . . 5.500 3.861 2.485 4.510 . 0 0 "[ . 1 . 2]" 1
446 1 24 VAL HA 1 25 LYS H . . 3.110 2.205 2.188 2.245 . 0 0 "[ . 1 . 2]" 1
447 1 25 LYS H 1 26 VAL H . . 5.100 4.436 4.297 4.609 . 0 0 "[ . 1 . 2]" 1
448 1 24 VAL H 1 25 LYS H . . 4.990 4.368 4.322 4.435 . 0 0 "[ . 1 . 2]" 1
449 1 24 VAL H 1 24 VAL HB . . 3.880 2.576 2.489 3.570 . 0 0 "[ . 1 . 2]" 1
450 1 12 VAL HB 1 24 VAL H . . 5.250 4.353 3.419 5.127 . 0 0 "[ . 1 . 2]" 1
451 1 13 SER HA 1 24 VAL H . . 4.270 2.419 2.273 2.557 . 0 0 "[ . 1 . 2]" 1
452 1 23 THR HA 1 24 VAL H . . 3.330 2.175 2.158 2.190 . 0 0 "[ . 1 . 2]" 1
453 1 24 VAL H 1 25 LYS HA . . 5.140 4.768 4.732 4.831 . 0 0 "[ . 1 . 2]" 1
454 1 23 THR HB 1 24 VAL H . . 4.990 4.171 3.375 4.322 . 0 0 "[ . 1 . 2]" 1
455 1 13 SER HB3 1 24 VAL H . . 5.270 5.399 5.189 5.514 0.244 2 0 "[ . 1 . 2]" 1
456 1 57 THR HA 1 58 VAL H . . 3.190 2.170 2.151 2.199 . 0 0 "[ . 1 . 2]" 1
457 1 53 LYS HA 1 58 VAL H . . 5.360 4.706 4.630 4.769 . 0 0 "[ . 1 . 2]" 1
458 1 12 VAL H 1 24 VAL H . . 4.310 4.125 4.059 4.195 . 0 0 "[ . 1 . 2]" 1
459 1 31 VAL QG 1 32 LEU H . . 3.610 3.201 2.080 3.593 . 0 0 "[ . 1 . 2]" 1
460 1 32 LEU H 1 32 LEU HB3 . . 3.950 3.509 3.482 3.529 . 0 0 "[ . 1 . 2]" 1
461 1 32 LEU H 1 33 LEU HG . . 4.930 4.501 4.188 4.752 . 0 0 "[ . 1 . 2]" 1
462 1 32 LEU H 1 32 LEU HG . . 3.620 2.809 2.313 3.688 0.068 16 0 "[ . 1 . 2]" 1
463 1 32 LEU H 1 64 GLN HB3 . . 4.720 4.323 3.879 4.720 0.000 11 0 "[ . 1 . 2]" 1
464 1 32 LEU H 1 32 LEU HB2 . . 3.690 2.307 2.208 2.407 . 0 0 "[ . 1 . 2]" 1
465 1 32 LEU H 1 33 LEU HA . . 5.230 5.133 5.004 5.162 . 0 0 "[ . 1 . 2]" 1
466 1 32 LEU H 1 64 GLN HA . . 3.390 2.385 2.176 2.572 . 0 0 "[ . 1 . 2]" 1
467 1 32 LEU H 1 35 VAL H . . 5.110 4.873 4.850 4.923 . 0 0 "[ . 1 . 2]" 1
468 1 32 LEU H 1 34 GLN H . . 5.500 4.496 4.374 4.540 . 0 0 "[ . 1 . 2]" 1
469 1 32 LEU H 1 65 TRP H . . 5.170 3.403 3.178 3.853 . 0 0 "[ . 1 . 2]" 1
470 1 30 THR HA 1 31 VAL H . . 3.150 2.223 2.217 2.225 . 0 0 "[ . 1 . 2]" 1
471 1 58 VAL H 1 58 VAL QG . . 3.340 1.892 1.858 1.957 . 0 0 "[ . 1 . 2]" 1
472 1 53 LYS QD 1 58 VAL H . . 4.910 4.943 4.457 5.151 0.241 20 0 "[ . 1 . 2]" 1
473 1 57 THR MG 1 58 VAL H . . 3.650 2.663 2.476 2.835 . 0 0 "[ . 1 . 2]" 1
474 1 31 VAL H 1 34 GLN HB3 . . 4.270 4.020 3.821 4.224 . 0 0 "[ . 1 . 2]" 1
475 1 31 VAL H 1 31 VAL HB . . 3.580 3.223 2.517 3.533 . 0 0 "[ . 1 . 2]" 1
476 1 58 VAL QG 1 59 LEU H . . 3.350 3.440 3.357 3.478 0.128 20 0 "[ . 1 . 2]" 1
477 1 52 LEU HB2 1 59 LEU H . . 3.680 3.694 3.563 3.794 0.114 11 0 "[ . 1 . 2]" 1
478 1 58 VAL HB 1 59 LEU H . . 4.720 3.062 3.042 3.101 . 0 0 "[ . 1 . 2]" 1
479 1 51 ASP HB3 1 59 LEU H . . 5.500 5.141 5.012 5.253 . 0 0 "[ . 1 . 2]" 1
480 1 59 LEU H 1 59 LEU HB2 . . 4.010 2.425 2.387 2.461 . 0 0 "[ . 1 . 2]" 1
481 1 58 VAL HA 1 59 LEU H . . 3.440 2.260 2.259 2.262 . 0 0 "[ . 1 . 2]" 1
482 1 53 LYS HA 1 59 LEU H . . 4.070 2.035 1.974 2.131 . 0 0 "[ . 1 . 2]" 1
483 1 31 VAL H 1 35 VAL H . . 5.500 5.163 5.075 5.361 . 0 0 "[ . 1 . 2]" 1
484 1 30 THR H 1 31 VAL H . . 5.020 4.593 4.589 4.597 . 0 0 "[ . 1 . 2]" 1
485 1 31 VAL H 1 65 TRP H . . 5.500 5.445 5.128 5.603 0.103 4 0 "[ . 1 . 2]" 1
486 1 59 LEU H 1 59 LEU HB3 . . 3.650 3.598 3.572 3.624 . 0 0 "[ . 1 . 2]" 1
487 1 57 THR H 1 58 VAL H . . 5.290 4.384 4.307 4.452 . 0 0 "[ . 1 . 2]" 1
488 1 52 LEU H 1 59 LEU H . . 5.460 3.741 3.669 3.780 . 0 0 "[ . 1 . 2]" 1
489 1 15 LEU H 1 76 LEU H . . 4.700 3.977 3.782 4.133 . 0 0 "[ . 1 . 2]" 1
490 1 14 VAL H 1 15 LEU H . . 5.400 4.264 4.261 4.266 . 0 0 "[ . 1 . 2]" 1
491 1 15 LEU H 1 77 GLU HA . . 3.750 2.765 2.513 3.016 . 0 0 "[ . 1 . 2]" 1
492 1 16 ALA H 1 21 ARG HA . . 4.080 2.439 2.277 2.558 . 0 0 "[ . 1 . 2]" 1
493 1 14 VAL HA 1 15 LEU H . . 3.450 2.182 2.182 2.183 . 0 0 "[ . 1 . 2]" 1
494 1 14 VAL HB 1 15 LEU H . . 4.400 4.051 3.980 4.099 . 0 0 "[ . 1 . 2]" 1
495 1 15 LEU H 1 15 LEU HB2 . . 3.790 3.691 3.676 3.716 . 0 0 "[ . 1 . 2]" 1
496 1 15 LEU H 1 15 LEU HB3 . . 3.890 2.661 2.549 2.717 . 0 0 "[ . 1 . 2]" 1
497 1 15 LEU H 1 15 LEU QD . . 4.240 2.528 1.654 3.109 . 0 0 "[ . 1 . 2]" 1
498 1 16 ALA H 1 17 PRO HD2 . . 5.270 5.048 5.047 5.049 . 0 0 "[ . 1 . 2]" 1
499 1 16 ALA H 1 16 ALA MB . . 3.490 2.159 2.102 2.246 . 0 0 "[ . 1 . 2]" 1
500 1 16 ALA H 1 78 MET HB2 . . 4.110 3.963 3.733 4.127 0.017 10 0 "[ . 1 . 2]" 1
501 1 16 ALA H 1 17 PRO HD3 . . 5.300 4.598 4.569 4.639 . 0 0 "[ . 1 . 2]" 1
502 1 15 LEU HA 1 16 ALA H . . 3.340 2.183 2.177 2.185 . 0 0 "[ . 1 . 2]" 1
503 1 16 ALA H 1 17 PRO HA . . 5.330 5.334 5.300 5.365 0.035 2 0 "[ . 1 . 2]" 1
504 1 16 ALA H 1 18 ASN H . . 5.500 4.976 4.911 5.015 . 0 0 "[ . 1 . 2]" 1
505 1 15 LEU QD 1 16 ALA H . . 3.830 3.471 2.950 3.760 . 0 0 "[ . 1 . 2]" 1
506 1 81 VAL HB 1 82 SER H . . 4.920 3.177 1.733 3.638 . 0 0 "[ . 1 . 2]" 1
507 1 81 VAL QG 1 82 SER H . . 4.370 1.885 1.626 2.874 . 0 0 "[ . 1 . 2]" 1
508 1 12 VAL H 1 24 VAL HB . . 5.500 4.919 4.715 5.903 0.403 14 0 "[ . 1 . 2]" 1
509 1 11 ALA HA 1 12 VAL QG . . 5.500 3.895 2.943 4.278 . 0 0 "[ . 1 . 2]" 1
510 1 11 ALA HA 1 26 VAL QG . . 5.290 3.673 3.145 4.276 . 0 0 "[ . 1 . 2]" 1
511 1 11 ALA MB 1 26 VAL QG . . 5.500 4.532 4.117 4.958 . 0 0 "[ . 1 . 2]" 1
512 1 11 ALA MB 1 72 ASN HB2 . . 5.500 4.053 3.648 4.472 . 0 0 "[ . 1 . 2]" 1
513 1 12 VAL HA 1 24 VAL H . . 5.500 4.961 4.835 5.100 . 0 0 "[ . 1 . 2]" 1
514 1 12 VAL HB 1 74 ALA MB . . 5.500 3.588 3.217 4.022 . 0 0 "[ . 1 . 2]" 1
515 1 12 VAL HB 1 13 SER H . . 4.980 4.224 3.462 4.505 . 0 0 "[ . 1 . 2]" 1
516 1 12 VAL QG 1 26 VAL QG . . 4.730 1.785 1.502 2.205 . 0 0 "[ . 1 . 2]" 1
517 1 12 VAL QG 1 65 TRP HZ3 . . 4.860 1.896 1.740 1.990 . 0 0 "[ . 1 . 2]" 1
518 1 12 VAL QG 1 65 TRP HH2 . . 4.990 3.697 3.223 4.016 . 0 0 "[ . 1 . 2]" 1
519 1 12 VAL QG 1 65 TRP HE3 . . 5.500 2.724 2.462 2.936 . 0 0 "[ . 1 . 2]" 1
520 1 12 VAL QG 1 74 ALA H . . 5.440 4.497 4.413 4.669 . 0 0 "[ . 1 . 2]" 1
521 1 61 LEU H 1 61 LEU MD1 . . 5.180 3.406 2.987 3.789 . 0 0 "[ . 1 . 2]" 1
522 1 12 VAL QG 1 24 VAL HB . . 4.490 2.877 2.268 4.003 . 0 0 "[ . 1 . 2]" 1
523 1 12 VAL QG 1 24 VAL H . . 5.500 3.002 2.274 4.091 . 0 0 "[ . 1 . 2]" 1
524 1 12 VAL QG 1 76 LEU QD . . 4.180 1.600 1.559 1.645 . 0 0 "[ . 1 . 2]" 1
525 1 12 VAL QG 1 74 ALA MB . . 5.500 1.759 1.644 2.034 . 0 0 "[ . 1 . 2]" 1
526 1 12 VAL HB 1 13 SER HA . . 5.500 5.134 4.238 5.587 0.087 12 0 "[ . 1 . 2]" 1
527 1 13 SER HA 1 24 VAL HB . . 5.500 4.751 4.579 5.779 0.279 14 0 "[ . 1 . 2]" 1
528 1 13 SER HA 1 76 LEU QD . . 5.500 3.770 3.454 4.479 . 0 0 "[ . 1 . 2]" 1
529 1 13 SER HA 1 14 VAL MG2 . . 5.130 3.112 3.069 3.162 . 0 0 "[ . 1 . 2]" 1
530 1 13 SER HA 1 76 LEU H . . 5.500 4.531 4.411 4.696 . 0 0 "[ . 1 . 2]" 1
531 1 13 SER HA 1 23 THR HB . . 5.500 3.030 2.338 3.404 . 0 0 "[ . 1 . 2]" 1
532 1 13 SER HB2 1 14 VAL H . . 5.500 4.279 4.020 4.410 . 0 0 "[ . 1 . 2]" 1
533 1 13 SER HB2 1 24 VAL H . . 5.500 4.564 4.290 4.803 . 0 0 "[ . 1 . 2]" 1
534 1 13 SER HB3 1 75 LYS QG . . 5.500 3.825 2.105 4.738 . 0 0 "[ . 1 . 2]" 1
535 1 13 SER HB2 1 14 VAL MG2 . . 5.470 5.101 5.031 5.134 . 0 0 "[ . 1 . 2]" 1
536 1 14 VAL HA 1 76 LEU HB3 . . 5.490 4.782 4.402 5.014 . 0 0 "[ . 1 . 2]" 1
537 1 13 SER HA 1 14 VAL HA . . 5.500 4.410 4.407 4.413 . 0 0 "[ . 1 . 2]" 1
538 1 51 ASP HB3 1 79 VAL HB . . 5.500 5.013 4.679 5.325 . 0 0 "[ . 1 . 2]" 1
539 1 14 VAL HB 1 24 VAL QG . . 4.380 4.412 3.824 4.531 0.151 7 0 "[ . 1 . 2]" 1
540 1 14 VAL HB 1 76 LEU HB2 . . 5.500 5.169 4.499 5.569 0.069 11 0 "[ . 1 . 2]" 1
541 1 14 VAL MG2 1 76 LEU H . . 5.500 3.890 3.671 4.098 . 0 0 "[ . 1 . 2]" 1
542 1 14 VAL MG2 1 24 VAL H . . 5.390 2.936 2.813 3.099 . 0 0 "[ . 1 . 2]" 1
543 1 14 VAL MG2 1 76 LEU HB2 . . 4.590 3.569 3.168 3.802 . 0 0 "[ . 1 . 2]" 1
544 1 14 VAL MG2 1 24 VAL HB . . 5.500 3.210 3.057 4.258 . 0 0 "[ . 1 . 2]" 1
545 1 14 VAL MG2 1 76 LEU HB3 . . 5.180 5.004 4.540 5.290 0.110 11 0 "[ . 1 . 2]" 1
546 1 14 VAL MG1 1 78 MET H . . 5.500 3.539 3.393 3.711 . 0 0 "[ . 1 . 2]" 1
547 1 14 VAL MG1 1 76 LEU H . . 5.500 3.876 3.417 4.239 . 0 0 "[ . 1 . 2]" 1
548 1 14 VAL MG1 1 16 ALA MB . . 5.500 4.464 4.197 4.877 . 0 0 "[ . 1 . 2]" 1
549 1 14 VAL MG1 1 76 LEU QD . . 4.660 2.736 2.055 3.203 . 0 0 "[ . 1 . 2]" 1
550 1 14 VAL MG1 1 76 LEU HB2 . . 4.790 2.466 1.936 2.895 . 0 0 "[ . 1 . 2]" 1
551 1 15 LEU QD 1 20 ARG H . . 5.500 5.221 4.604 5.505 0.005 6 0 "[ . 1 . 2]" 1
552 1 15 LEU QD 1 19 GLY H . . 5.500 4.903 4.384 5.131 . 0 0 "[ . 1 . 2]" 1
553 1 61 LEU HA 1 61 LEU MD1 . . 4.340 3.929 3.855 4.006 . 0 0 "[ . 1 . 2]" 1
554 1 15 LEU HG 1 21 ARG QD . . 5.500 4.979 3.751 5.538 0.038 1 0 "[ . 1 . 2]" 1
555 1 16 ALA HA 1 78 MET QG . . 4.750 3.865 3.553 4.046 . 0 0 "[ . 1 . 2]" 1
556 1 16 ALA HA 1 78 MET HB3 . . 5.500 2.080 1.991 2.229 . 0 0 "[ . 1 . 2]" 1
557 1 16 ALA HA 1 78 MET HB2 . . 5.360 2.364 2.051 2.594 . 0 0 "[ . 1 . 2]" 1
558 1 16 ALA HA 1 78 MET ME . . 5.500 4.269 3.856 4.642 . 0 0 "[ . 1 . 2]" 1
559 1 14 VAL MG1 1 16 ALA HA . . 5.500 4.646 4.381 5.030 . 0 0 "[ . 1 . 2]" 1
560 1 16 ALA MB 1 18 ASN HB3 . . 5.500 3.858 3.704 4.242 . 0 0 "[ . 1 . 2]" 1
561 1 16 ALA MB 1 78 MET QG . . 3.990 3.666 3.003 4.027 0.037 4 0 "[ . 1 . 2]" 1
562 1 16 ALA MB 1 20 ARG QB . . 4.680 1.928 1.833 2.367 . 0 0 "[ . 1 . 2]" 1
563 1 16 ALA MB 1 19 GLY H . . 5.500 3.416 3.328 3.579 . 0 0 "[ . 1 . 2]" 1
564 1 16 ALA MB 1 20 ARG H . . 5.150 2.065 2.008 2.174 . 0 0 "[ . 1 . 2]" 1
565 1 17 PRO HA 1 19 GLY H . . 5.500 3.090 3.033 3.140 . 0 0 "[ . 1 . 2]" 1
566 1 17 PRO HB2 1 18 ASN HB3 . . 5.500 5.257 5.190 5.406 . 0 0 "[ . 1 . 2]" 1
567 1 16 ALA MB 1 17 PRO HD2 . . 4.500 2.760 2.622 2.840 . 0 0 "[ . 1 . 2]" 1
568 1 17 PRO HD2 1 78 MET HB3 . . 5.350 2.632 2.490 2.813 . 0 0 "[ . 1 . 2]" 1
569 1 17 PRO HD2 1 78 MET HB2 . . 5.470 4.062 3.840 4.294 . 0 0 "[ . 1 . 2]" 1
570 1 17 PRO HD3 1 78 MET ME . . 5.460 4.438 4.101 4.874 . 0 0 "[ . 1 . 2]" 1
571 1 17 PRO HD3 1 78 MET HB3 . . 5.130 2.254 2.065 2.493 . 0 0 "[ . 1 . 2]" 1
572 1 16 ALA MB 1 17 PRO HD3 . . 4.440 3.403 3.340 3.444 . 0 0 "[ . 1 . 2]" 1
573 1 17 PRO HD2 1 18 ASN H . . 5.500 2.530 2.522 2.544 . 0 0 "[ . 1 . 2]" 1
574 1 17 PRO HG3 1 78 MET HB3 . . 4.930 4.133 3.907 4.446 . 0 0 "[ . 1 . 2]" 1
575 1 17 PRO HG2 1 78 MET ME . . 5.500 4.997 4.586 5.527 0.027 9 0 "[ . 1 . 2]" 1
576 1 17 PRO HG3 1 18 ASN H . . 5.500 4.595 4.587 4.609 . 0 0 "[ . 1 . 2]" 1
577 1 18 ASN HB2 1 20 ARG HG2 . . 5.500 5.439 4.673 6.382 0.882 19 3 "[ . - 1* . +2]" 1
578 1 20 ARG QB 1 21 ARG H . . 5.500 3.570 3.474 3.798 . 0 0 "[ . 1 . 2]" 1
579 1 48 SER H 1 83 ARG QD . . 5.500 4.597 3.712 5.409 . 0 0 "[ . 1 . 2]" 1
580 1 20 ARG QD 1 21 ARG H . . 5.500 4.011 3.029 5.511 0.011 6 0 "[ . 1 . 2]" 1
581 1 20 ARG H 1 20 ARG HG3 . . 5.500 3.936 3.022 4.444 . 0 0 "[ . 1 . 2]" 1
582 1 20 ARG HG3 1 21 ARG H . . 5.500 5.296 3.202 5.643 0.143 2 0 "[ . 1 . 2]" 1
583 1 21 ARG HA 1 22 HIS HB3 . . 5.500 4.593 4.499 4.678 . 0 0 "[ . 1 . 2]" 1
584 1 15 LEU QD 1 21 ARG HA . . 5.410 4.438 3.871 4.714 . 0 0 "[ . 1 . 2]" 1
585 1 15 LEU QD 1 21 ARG QB . . 5.450 4.902 4.441 5.085 . 0 0 "[ . 1 . 2]" 1
586 1 15 LEU QD 1 21 ARG QD . . 5.170 3.509 2.839 4.309 . 0 0 "[ . 1 . 2]" 1
587 1 15 LEU QD 1 21 ARG HG3 . . 5.240 3.841 2.868 4.819 . 0 0 "[ . 1 . 2]" 1
588 1 15 LEU QD 1 21 ARG HG2 . . 5.310 4.097 3.132 4.669 . 0 0 "[ . 1 . 2]" 1
589 1 25 LYS H 1 25 LYS QD . . 5.500 2.694 1.810 3.979 . 0 0 "[ . 1 . 2]" 1
590 1 21 ARG HG3 1 22 HIS H . . 5.500 4.189 3.254 5.512 0.012 14 0 "[ . 1 . 2]" 1
591 1 21 ARG H 1 21 ARG HG2 . . 5.500 4.426 3.474 4.820 . 0 0 "[ . 1 . 2]" 1
592 1 22 HIS HA 1 24 VAL QG . . 5.500 5.012 4.816 5.221 . 0 0 "[ . 1 . 2]" 1
593 1 22 HIS HA 1 23 THR HB . . 5.500 4.555 4.396 5.572 0.072 10 0 "[ . 1 . 2]" 1
594 1 14 VAL MG2 1 22 HIS HB3 . . 5.500 5.544 5.489 5.601 0.101 11 0 "[ . 1 . 2]" 1
595 1 22 HIS HB3 1 23 THR MG . . 5.500 5.482 5.130 5.562 0.062 11 0 "[ . 1 . 2]" 1
596 1 14 VAL MG2 1 22 HIS HB2 . . 5.500 4.778 4.577 4.988 . 0 0 "[ . 1 . 2]" 1
597 1 14 VAL HB 1 22 HIS HB2 . . 5.500 5.273 4.939 5.543 0.043 9 0 "[ . 1 . 2]" 1
598 1 13 SER HA 1 23 THR HA . . 4.550 1.830 1.701 1.911 . 0 0 "[ . 1 . 2]" 1
599 1 22 HIS HB2 1 23 THR MG . . 4.680 4.667 4.573 4.728 0.048 7 0 "[ . 1 . 2]" 1
600 1 13 SER HA 1 23 THR MG . . 5.500 4.038 2.793 4.365 . 0 0 "[ . 1 . 2]" 1
601 1 22 HIS HD2 1 39 THR MG . . 5.060 3.724 2.722 4.810 . 0 0 "[ . 1 . 2]" 1
602 1 23 THR MG 1 24 VAL H . . 4.550 4.096 4.000 4.311 . 0 0 "[ . 1 . 2]" 1
603 1 14 VAL H 1 23 THR MG . . 5.500 4.674 3.115 5.029 . 0 0 "[ . 1 . 2]" 1
604 1 24 VAL QG 1 25 LYS HA . . 5.500 3.839 3.676 4.002 . 0 0 "[ . 1 . 2]" 1
605 1 24 VAL QG 1 35 VAL HA . . 4.280 4.275 4.111 4.361 0.081 17 0 "[ . 1 . 2]" 1
606 1 24 VAL QG 1 38 ASP HB2 . . 5.030 4.865 4.700 4.991 . 0 0 "[ . 1 . 2]" 1
607 1 24 VAL QG 1 26 VAL QG . . 4.640 2.115 1.826 2.588 . 0 0 "[ . 1 . 2]" 1
608 1 12 VAL HB 1 24 VAL QG . . 5.500 3.966 2.899 4.703 . 0 0 "[ . 1 . 2]" 1
609 1 24 VAL QG 1 35 VAL HB . . 5.500 3.209 3.062 3.342 . 0 0 "[ . 1 . 2]" 1
610 1 11 ALA MB 1 25 LYS HA . . 4.910 2.927 2.264 3.404 . 0 0 "[ . 1 . 2]" 1
611 1 25 LYS HA 1 26 VAL QG . . 5.500 3.247 3.064 3.931 . 0 0 "[ . 1 . 2]" 1
612 1 25 LYS HB3 1 26 VAL H . . 5.500 4.363 4.208 4.431 . 0 0 "[ . 1 . 2]" 1
613 1 25 LYS QD 1 26 VAL H . . 5.500 5.395 4.411 5.580 0.080 5 0 "[ . 1 . 2]" 1
614 1 25 LYS HG2 1 26 VAL H . . 5.500 4.809 4.094 5.666 0.166 15 0 "[ . 1 . 2]" 1
615 1 25 LYS HG3 1 26 VAL H . . 5.500 5.011 4.543 5.490 . 0 0 "[ . 1 . 2]" 1
616 1 25 LYS H 1 25 LYS HG3 . . 5.500 3.276 1.999 3.779 . 0 0 "[ . 1 . 2]" 1
617 1 26 VAL HB 1 35 VAL MG2 . . 5.500 3.758 3.303 4.290 . 0 0 "[ . 1 . 2]" 1
618 1 26 VAL HB 1 30 THR HB . . 5.500 3.696 3.422 5.636 0.136 14 0 "[ . 1 . 2]" 1
619 1 26 VAL QG 1 35 VAL MG2 . . 3.870 2.235 1.874 2.499 . 0 0 "[ . 1 . 2]" 1
620 1 26 VAL QG 1 30 THR MG . . 4.040 3.274 2.333 3.773 . 0 0 "[ . 1 . 2]" 1
621 1 26 VAL QG 1 70 LEU QD . . 4.900 3.355 2.955 3.752 . 0 0 "[ . 1 . 2]" 1
622 1 24 VAL HB 1 26 VAL QG . . 5.500 3.332 3.103 4.698 . 0 0 "[ . 1 . 2]" 1
623 1 12 VAL HB 1 26 VAL QG . . 5.500 2.064 1.669 2.982 . 0 0 "[ . 1 . 2]" 1
624 1 10 SER HB2 1 26 VAL QG . . 4.860 4.343 3.757 4.776 . 0 0 "[ . 1 . 2]" 1
625 1 27 THR HB 1 28 PRO QD . . 4.200 2.891 2.389 3.108 . 0 0 "[ . 1 . 2]" 1
626 1 27 THR HB 1 29 SER H . . 5.500 2.378 2.216 2.536 . 0 0 "[ . 1 . 2]" 1
627 1 27 THR MG 1 30 THR HA . . 5.500 5.314 5.046 5.545 0.045 6 0 "[ . 1 . 2]" 1
628 1 27 THR MG 1 28 PRO QD . . 4.950 1.971 1.763 2.623 . 0 0 "[ . 1 . 2]" 1
629 1 26 VAL QG 1 27 THR MG . . 5.500 4.668 4.221 4.825 . 0 0 "[ . 1 . 2]" 1
630 1 28 PRO HA 1 65 TRP HD1 . . 4.520 3.051 2.774 3.255 . 0 0 "[ . 1 . 2]" 1
631 1 28 PRO HA 1 66 ARG HB3 . . 5.500 5.460 5.237 5.656 0.156 17 0 "[ . 1 . 2]" 1
632 1 28 PRO HA 1 65 TRP HB3 . . 5.170 2.718 2.552 2.951 . 0 0 "[ . 1 . 2]" 1
633 1 28 PRO HA 1 65 TRP HB2 . . 5.480 3.581 3.423 3.771 . 0 0 "[ . 1 . 2]" 1
634 1 28 PRO HB2 1 66 ARG HA . . 5.500 4.490 4.214 4.679 . 0 0 "[ . 1 . 2]" 1
635 1 28 PRO HB2 1 66 ARG HB3 . . 5.190 5.242 4.871 5.314 0.124 18 0 "[ . 1 . 2]" 1
636 1 27 THR HB 1 29 SER HB2 . . 5.500 4.931 4.771 5.170 . 0 0 "[ . 1 . 2]" 1
637 1 27 THR H 1 30 THR HA . . 5.500 5.201 5.099 5.382 . 0 0 "[ . 1 . 2]" 1
638 1 30 THR HB 1 65 TRP HB2 . . 5.500 5.491 5.203 5.597 0.097 4 0 "[ . 1 . 2]" 1
639 1 30 THR HB 1 65 TRP HB3 . . 5.500 4.923 4.729 5.059 . 0 0 "[ . 1 . 2]" 1
640 1 26 VAL QG 1 30 THR HB . . 5.500 3.471 2.640 4.268 . 0 0 "[ . 1 . 2]" 1
641 1 30 THR HB 1 31 VAL H . . 5.500 4.320 4.261 4.403 . 0 0 "[ . 1 . 2]" 1
642 1 30 THR HB 1 65 TRP H . . 6.000 5.854 5.716 5.965 . 0 0 "[ . 1 . 2]" 1
643 1 30 THR MG 1 35 VAL H . . 5.500 3.453 3.357 3.670 . 0 0 "[ . 1 . 2]" 1
644 1 30 THR MG 1 31 VAL H . . 4.020 2.456 2.270 2.579 . 0 0 "[ . 1 . 2]" 1
645 1 27 THR H 1 30 THR MG . . 4.870 2.975 2.745 3.259 . 0 0 "[ . 1 . 2]" 1
646 1 30 THR MG 1 34 GLN HB2 . . 4.810 4.040 3.834 4.237 . 0 0 "[ . 1 . 2]" 1
647 1 30 THR MG 1 34 GLN HB3 . . 4.440 3.798 3.562 4.012 . 0 0 "[ . 1 . 2]" 1
648 1 31 VAL HB 1 34 GLN H . . 5.500 3.067 2.625 3.298 . 0 0 "[ . 1 . 2]" 1
649 1 30 THR HA 1 31 VAL QG . . 5.290 3.312 3.254 3.344 . 0 0 "[ . 1 . 2]" 1
650 1 31 VAL QG 1 64 GLN HG2 . . 5.200 1.896 1.752 2.234 . 0 0 "[ . 1 . 2]" 1
651 1 31 VAL QG 1 64 GLN HG3 . . 4.360 2.064 1.748 2.437 . 0 0 "[ . 1 . 2]" 1
652 1 31 VAL QG 1 64 GLN HB2 . . 5.410 3.826 3.592 4.020 . 0 0 "[ . 1 . 2]" 1
653 1 31 VAL QG 1 33 LEU HG . . 4.230 1.926 1.881 2.051 . 0 0 "[ . 1 . 2]" 1
654 1 32 LEU HA 1 36 LEU H . . 5.490 3.424 3.340 3.546 . 0 0 "[ . 1 . 2]" 1
655 1 32 LEU HA 1 35 VAL MG2 . . 4.150 1.908 1.873 1.946 . 0 0 "[ . 1 . 2]" 1
656 1 32 LEU HB2 1 61 LEU HA . . 5.200 4.143 3.880 4.468 . 0 0 "[ . 1 . 2]" 1
657 1 32 LEU HB2 1 35 VAL MG2 . . 4.930 3.991 3.906 4.055 . 0 0 "[ . 1 . 2]" 1
658 1 32 LEU HB3 1 35 VAL MG2 . . 4.600 2.883 2.777 2.981 . 0 0 "[ . 1 . 2]" 1
659 1 26 VAL QG 1 32 LEU MD2 . . 5.500 2.605 2.172 3.485 . 0 0 "[ . 1 . 2]" 1
660 1 30 THR MG 1 35 VAL MG2 . . 4.240 3.988 3.776 4.243 0.003 8 0 "[ . 1 . 2]" 1
661 1 26 VAL QG 1 35 VAL MG1 . . 5.170 2.220 1.828 2.473 . 0 0 "[ . 1 . 2]" 1
662 1 32 LEU HB2 1 35 VAL MG1 . . 5.470 4.621 4.560 4.690 . 0 0 "[ . 1 . 2]" 1
663 1 32 LEU HA 1 32 LEU MD2 . . 4.160 2.401 1.975 2.913 . 0 0 "[ . 1 . 2]" 1
664 1 30 THR HA 1 35 VAL MG1 . . 5.500 4.760 4.643 5.044 . 0 0 "[ . 1 . 2]" 1
665 1 32 LEU MD2 1 65 TRP HE3 . . 4.800 3.130 2.698 3.701 . 0 0 "[ . 1 . 2]" 1
666 1 32 LEU MD2 1 65 TRP HZ3 . . 5.500 4.623 4.224 5.496 . 0 0 "[ . 1 . 2]" 1
667 1 35 VAL MG1 1 36 LEU H . . 4.830 3.333 3.297 3.392 . 0 0 "[ . 1 . 2]" 1
668 1 34 GLN H 1 35 VAL MG2 . . 5.500 4.424 4.391 4.472 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU MD1 1 61 LEU HA . . 5.500 5.386 5.078 5.998 0.498 16 0 "[ . 1 . 2]" 1
670 1 32 LEU H 1 32 LEU MD1 . . 5.500 3.322 2.603 4.104 . 0 0 "[ . 1 . 2]" 1
671 1 32 LEU MD1 1 65 TRP H . . 5.500 3.638 2.748 5.132 . 0 0 "[ . 1 . 2]" 1
672 1 33 LEU HA 1 33 LEU MD1 . . 4.310 3.556 3.315 3.693 . 0 0 "[ . 1 . 2]" 1
673 1 33 LEU HA 1 61 LEU MD1 . . 4.800 4.558 4.078 4.796 . 0 0 "[ . 1 . 2]" 1
674 1 33 LEU HA 1 61 LEU HB3 . . 5.110 3.288 2.819 3.702 . 0 0 "[ . 1 . 2]" 1
675 1 33 LEU HA 1 61 LEU HB2 . . 5.500 4.731 4.400 5.025 . 0 0 "[ . 1 . 2]" 1
676 1 33 LEU HA 1 36 LEU H . . 5.500 3.543 3.462 3.578 . 0 0 "[ . 1 . 2]" 1
677 1 33 LEU HB3 1 34 GLN H . . 5.500 3.890 3.764 3.994 . 0 0 "[ . 1 . 2]" 1
678 1 33 LEU HB3 1 61 LEU MD2 . . 4.640 3.423 2.945 3.927 . 0 0 "[ . 1 . 2]" 1
679 1 33 LEU MD2 1 34 GLN H . . 5.500 3.713 3.673 3.800 . 0 0 "[ . 1 . 2]" 1
680 1 33 LEU H 1 33 LEU MD2 . . 5.500 3.075 2.768 3.410 . 0 0 "[ . 1 . 2]" 1
681 1 33 LEU MD1 1 36 LEU H . . 5.500 5.306 5.087 5.532 0.032 20 0 "[ . 1 . 2]" 1
682 1 33 LEU MD1 1 34 GLN H . . 5.500 2.553 2.394 2.740 . 0 0 "[ . 1 . 2]" 1
683 1 33 LEU H 1 33 LEU MD1 . . 5.500 3.785 3.710 3.876 . 0 0 "[ . 1 . 2]" 1
684 1 33 LEU HG 1 34 GLN HA . . 5.500 4.031 3.860 4.174 . 0 0 "[ . 1 . 2]" 1
685 1 31 VAL H 1 34 GLN HB2 . . 5.500 5.254 5.158 5.355 . 0 0 "[ . 1 . 2]" 1
686 1 34 GLN HB3 1 35 VAL H . . 5.500 3.838 3.761 3.944 . 0 0 "[ . 1 . 2]" 1
687 1 33 LEU HG 1 34 GLN QG . . 5.500 3.936 3.667 4.112 . 0 0 "[ . 1 . 2]" 1
688 1 31 VAL QG 1 34 GLN QG . . 4.870 2.589 1.876 3.815 . 0 0 "[ . 1 . 2]" 1
689 1 34 GLN QG 1 35 VAL MG2 . . 5.500 3.802 3.721 3.871 . 0 0 "[ . 1 . 2]" 1
690 1 31 VAL H 1 34 GLN QG . . 5.500 2.766 2.540 3.056 . 0 0 "[ . 1 . 2]" 1
691 1 34 GLN HA 1 35 VAL HA . . 5.500 4.743 4.740 4.744 . 0 0 "[ . 1 . 2]" 1
692 1 32 LEU HA 1 35 VAL HB . . 5.500 4.205 4.152 4.310 . 0 0 "[ . 1 . 2]" 1
693 1 26 VAL HB 1 35 VAL HB . . 5.500 3.639 3.292 5.187 . 0 0 "[ . 1 . 2]" 1
694 1 35 VAL MG2 1 36 LEU HA . . 4.290 2.788 2.761 2.815 . 0 0 "[ . 1 . 2]" 1
695 1 36 LEU HA 1 61 LEU MD2 . . 5.430 4.598 4.340 4.866 . 0 0 "[ . 1 . 2]" 1
696 1 36 LEU HB3 1 37 GLU H . . 5.500 2.743 2.600 2.865 . 0 0 "[ . 1 . 2]" 1
697 1 36 LEU HB2 1 52 LEU QD . . 4.990 3.371 2.874 3.881 . 0 0 "[ . 1 . 2]" 1
698 1 36 LEU HB3 1 61 LEU MD1 . . 5.180 4.834 4.464 5.297 0.117 2 0 "[ . 1 . 2]" 1
699 1 36 LEU HB3 1 61 LEU MD2 . . 5.120 2.228 1.904 2.569 . 0 0 "[ . 1 . 2]" 1
700 1 33 LEU HB2 1 36 LEU HB3 . . 5.500 4.808 4.703 4.910 . 0 0 "[ . 1 . 2]" 1
701 1 36 LEU HB2 1 61 LEU MD2 . . 5.240 3.400 2.998 3.692 . 0 0 "[ . 1 . 2]" 1
702 1 36 LEU QD 1 50 TYR QB . . 5.400 3.642 3.450 3.864 . 0 0 "[ . 1 . 2]" 1
703 1 36 LEU QD 1 37 GLU HG2 . . 4.570 3.729 2.435 4.308 . 0 0 "[ . 1 . 2]" 1
704 1 37 GLU HA 1 40 CYS HB2 . . 5.200 2.200 2.015 2.386 . 0 0 "[ . 1 . 2]" 1
705 1 37 GLU HA 1 37 GLU HG2 . . 4.040 2.522 2.464 2.593 . 0 0 "[ . 1 . 2]" 1
706 1 36 LEU HG 1 37 GLU HA . . 5.500 4.381 3.580 5.613 0.113 20 0 "[ . 1 . 2]" 1
707 1 37 GLU HA 1 40 CYS HB3 . . 5.500 3.696 3.497 3.893 . 0 0 "[ . 1 . 2]" 1
708 1 37 GLU HA 1 40 CYS HA . . 5.500 5.132 4.963 5.301 . 0 0 "[ . 1 . 2]" 1
709 1 36 LEU QD 1 37 GLU HA . . 5.500 3.587 2.496 4.142 . 0 0 "[ . 1 . 2]" 1
710 1 34 GLN HA 1 37 GLU HB3 . . 5.380 4.117 3.901 4.383 . 0 0 "[ . 1 . 2]" 1
711 1 34 GLN HA 1 37 GLU HB2 . . 4.980 2.533 2.370 2.735 . 0 0 "[ . 1 . 2]" 1
712 1 41 ARG HB3 1 42 ARG H . . 5.500 3.240 3.138 3.272 . 0 0 "[ . 1 . 2]" 1
713 1 33 LEU HA 1 37 GLU HG3 . . 5.500 3.907 3.758 4.067 . 0 0 "[ . 1 . 2]" 1
714 1 33 LEU HG 1 37 GLU HG3 . . 5.170 5.035 4.845 5.162 . 0 0 "[ . 1 . 2]" 1
715 1 33 LEU MD1 1 37 GLU HG3 . . 5.390 2.744 2.163 3.072 . 0 0 "[ . 1 . 2]" 1
716 1 37 GLU HG3 1 61 LEU MD1 . . 5.500 4.808 4.261 5.297 . 0 0 "[ . 1 . 2]" 1
717 1 37 GLU HG2 1 61 LEU MD1 . . 5.500 4.065 3.423 4.567 . 0 0 "[ . 1 . 2]" 1
718 1 33 LEU MD1 1 37 GLU HG2 . . 5.500 3.919 3.346 4.245 . 0 0 "[ . 1 . 2]" 1
719 1 38 ASP HA 1 42 ARG HD3 . . 5.500 4.039 3.966 4.235 . 0 0 "[ . 1 . 2]" 1
720 1 37 GLU HB3 1 38 ASP HA . . 5.500 4.281 4.197 4.416 . 0 0 "[ . 1 . 2]" 1
721 1 35 VAL HA 1 38 ASP HB3 . . 5.500 3.850 3.508 4.064 . 0 0 "[ . 1 . 2]" 1
722 1 35 VAL HA 1 38 ASP HB2 . . 5.500 2.390 2.159 2.542 . 0 0 "[ . 1 . 2]" 1
723 1 38 ASP HB2 1 39 THR HA . . 5.500 4.708 4.506 4.827 . 0 0 "[ . 1 . 2]" 1
724 1 35 VAL MG2 1 38 ASP HB2 . . 4.940 4.659 4.477 4.795 . 0 0 "[ . 1 . 2]" 1
725 1 24 VAL QG 1 38 ASP HB3 . . 4.950 4.786 4.484 4.924 . 0 0 "[ . 1 . 2]" 1
726 1 35 VAL HB 1 38 ASP HB2 . . 4.570 4.394 4.189 4.580 0.010 7 0 "[ . 1 . 2]" 1
727 1 38 ASP HB3 1 39 THR H . . 5.500 2.862 2.757 3.038 . 0 0 "[ . 1 . 2]" 1
728 1 39 THR HA 1 42 ARG HG3 . . 5.430 2.256 2.213 2.308 . 0 0 "[ . 1 . 2]" 1
729 1 39 THR HA 1 42 ARG HD2 . . 5.500 3.177 3.088 3.231 . 0 0 "[ . 1 . 2]" 1
730 1 39 THR HA 1 43 GLN HG2 . . 5.500 4.660 4.488 4.916 . 0 0 "[ . 1 . 2]" 1
731 1 39 THR HB 1 40 CYS H . . 5.470 3.441 2.836 4.092 . 0 0 "[ . 1 . 2]" 1
732 1 40 CYS HA 1 45 PHE HB2 . . 4.930 1.922 1.868 2.000 . 0 0 "[ . 1 . 2]" 1
733 1 40 CYS HA 1 43 GLN HG3 . . 5.500 3.181 3.029 3.245 . 0 0 "[ . 1 . 2]" 1
734 1 40 CYS HA 1 43 GLN HB2 . . 5.500 4.751 4.652 4.841 . 0 0 "[ . 1 . 2]" 1
735 1 40 CYS HA 1 45 PHE QD . . 5.500 4.161 4.122 4.213 . 0 0 "[ . 1 . 2]" 1
736 1 40 CYS HA 1 44 ASP H . . 5.500 4.041 3.931 4.267 . 0 0 "[ . 1 . 2]" 1
737 1 40 CYS HB2 1 47 PRO HD3 . . 5.500 4.810 4.647 4.903 . 0 0 "[ . 1 . 2]" 1
738 1 40 CYS HB3 1 42 ARG H . . 6.000 5.767 5.736 5.781 . 0 0 "[ . 1 . 2]" 1
739 1 41 ARG HA 1 45 PHE H . . 5.500 4.159 4.025 4.227 . 0 0 "[ . 1 . 2]" 1
740 1 41 ARG HA 1 41 ARG HD2 . . 5.500 4.371 2.849 5.257 . 0 0 "[ . 1 . 2]" 1
741 1 41 ARG HA 1 41 ARG HD3 . . 5.500 4.800 2.865 5.413 . 0 0 "[ . 1 . 2]" 1
742 1 41 ARG H 1 41 ARG HG2 . . 5.500 3.374 3.177 4.108 . 0 0 "[ . 1 . 2]" 1
743 1 42 ARG HB3 1 44 ASP H . . 5.330 5.413 5.400 5.462 0.132 20 0 "[ . 1 . 2]" 1
744 1 42 ARG H 1 42 ARG HG2 . . 5.400 1.622 1.558 1.647 . 0 0 "[ . 1 . 2]" 1
745 1 42 ARG HA 1 42 ARG HD3 . . 5.500 5.220 5.129 5.316 . 0 0 "[ . 1 . 2]" 1
746 1 41 ARG HB2 1 42 ARG HD2 . . 5.500 5.439 5.171 5.578 0.078 6 0 "[ . 1 . 2]" 1
747 1 42 ARG HG2 1 43 GLN HA . . 5.300 4.498 4.450 4.624 . 0 0 "[ . 1 . 2]" 1
748 1 43 GLN HA 1 45 PHE QE . . 5.500 5.530 5.475 5.599 0.099 1 0 "[ . 1 . 2]" 1
749 1 54 PHE H 1 59 LEU HA . . 5.500 5.489 5.309 5.614 0.114 6 0 "[ . 1 . 2]" 1
750 1 43 GLN HB2 1 45 PHE QD . . 5.450 4.205 4.136 4.269 . 0 0 "[ . 1 . 2]" 1
751 1 43 GLN HB2 1 45 PHE QE . . 5.500 4.555 4.505 4.610 . 0 0 "[ . 1 . 2]" 1
752 1 43 GLN HG3 1 45 PHE QE . . 5.340 3.711 3.622 3.858 . 0 0 "[ . 1 . 2]" 1
753 1 43 GLN HG2 1 45 PHE QE . . 5.420 5.121 5.001 5.263 . 0 0 "[ . 1 . 2]" 1
754 1 45 PHE HB3 1 46 ASN H . . 5.500 2.850 2.842 2.864 . 0 0 "[ . 1 . 2]" 1
755 1 40 CYS HA 1 45 PHE HB3 . . 5.500 3.175 3.128 3.254 . 0 0 "[ . 1 . 2]" 1
756 1 40 CYS HB3 1 45 PHE HB2 . . 5.500 3.601 3.476 3.712 . 0 0 "[ . 1 . 2]" 1
757 1 45 PHE HB3 1 78 MET ME . . 5.500 4.690 4.607 4.764 . 0 0 "[ . 1 . 2]" 1
758 1 45 PHE HB2 1 78 MET ME . . 5.500 5.536 5.501 5.572 0.072 12 0 "[ . 1 . 2]" 1
759 1 46 ASN HA 1 47 PRO QB . . 5.230 4.682 4.678 4.684 . 0 0 "[ . 1 . 2]" 1
760 1 45 PHE QD 1 46 ASN HB2 . . 6.000 5.764 5.706 5.839 . 0 0 "[ . 1 . 2]" 1
761 1 46 ASN HB2 1 49 GLU QG . . 5.500 3.329 2.999 3.918 . 0 0 "[ . 1 . 2]" 1
762 1 46 ASN HB3 1 49 GLU QG . . 5.410 3.089 2.763 3.441 . 0 0 "[ . 1 . 2]" 1
763 1 46 ASN HB2 1 49 GLU HB3 . . 5.500 4.459 4.120 4.988 . 0 0 "[ . 1 . 2]" 1
764 1 47 PRO HA 1 50 TYR QB . . 5.500 2.637 2.550 2.686 . 0 0 "[ . 1 . 2]" 1
765 1 36 LEU HG 1 47 PRO HA . . 5.500 5.171 4.806 5.603 0.103 15 0 "[ . 1 . 2]" 1
766 1 36 LEU QD 1 47 PRO HA . . 5.290 3.355 3.098 3.576 . 0 0 "[ . 1 . 2]" 1
767 1 40 CYS HB2 1 47 PRO QB . . 6.000 6.084 5.795 6.181 0.181 11 0 "[ . 1 . 2]" 1
768 1 36 LEU HG 1 47 PRO QB . . 5.060 4.040 3.416 4.789 . 0 0 "[ . 1 . 2]" 1
769 1 36 LEU QD 1 47 PRO QB . . 4.920 2.400 2.051 2.705 . 0 0 "[ . 1 . 2]" 1
770 1 40 CYS HB3 1 47 PRO HD3 . . 5.500 4.136 3.974 4.217 . 0 0 "[ . 1 . 2]" 1
771 1 45 PHE HB3 1 47 PRO HD3 . . 5.500 5.213 5.139 5.287 . 0 0 "[ . 1 . 2]" 1
772 1 46 ASN HB2 1 47 PRO HD3 . . 5.500 4.633 4.519 4.682 . 0 0 "[ . 1 . 2]" 1
773 1 46 ASN HB2 1 47 PRO HD2 . . 5.500 4.215 4.087 4.304 . 0 0 "[ . 1 . 2]" 1
774 1 47 PRO HD2 1 48 SER HB3 . . 3.990 3.923 3.689 4.249 0.259 8 0 "[ . 1 . 2]" 1
775 1 47 PRO HD2 1 48 SER H . . 5.500 2.254 2.253 2.256 . 0 0 "[ . 1 . 2]" 1
776 1 47 PRO HD3 1 48 SER H . . 5.500 3.664 3.661 3.668 . 0 0 "[ . 1 . 2]" 1
777 1 37 GLU HA 1 47 PRO HG3 . . 5.500 5.285 4.922 5.460 . 0 0 "[ . 1 . 2]" 1
778 1 47 PRO HG3 1 48 SER H . . 5.500 4.097 4.079 4.118 . 0 0 "[ . 1 . 2]" 1
779 1 47 PRO QB 1 48 SER HA . . 5.500 3.947 3.936 3.955 . 0 0 "[ . 1 . 2]" 1
780 1 48 SER HA 1 81 VAL QG . . 6.000 4.887 4.697 5.581 . 0 0 "[ . 1 . 2]" 1
781 1 48 SER HA 1 83 ARG QD . . 5.500 3.764 2.846 4.934 . 0 0 "[ . 1 . 2]" 1
782 1 48 SER HA 1 81 VAL H . . 6.000 5.798 5.765 5.823 . 0 0 "[ . 1 . 2]" 1
783 1 47 PRO QB 1 48 SER HB2 . . 5.500 4.706 4.576 5.505 0.005 13 0 "[ . 1 . 2]" 1
784 1 48 SER HB3 1 49 GLU QG . . 5.500 3.348 2.931 4.466 . 0 0 "[ . 1 . 2]" 1
785 1 32 LEU H 1 61 LEU HA . . 5.500 5.423 4.962 5.645 0.145 9 0 "[ . 1 . 2]" 1
786 1 32 LEU HB3 1 61 LEU HA . . 4.800 4.486 4.015 4.804 0.004 9 0 "[ . 1 . 2]" 1
787 1 33 LEU HB3 1 61 LEU HA . . 5.500 2.799 2.613 2.983 . 0 0 "[ . 1 . 2]" 1
788 1 46 ASN HB3 1 49 GLU HB3 . . 5.500 4.624 4.116 5.218 . 0 0 "[ . 1 . 2]" 1
789 1 46 ASN HB3 1 49 GLU HB2 . . 5.500 2.923 2.409 3.575 . 0 0 "[ . 1 . 2]" 1
790 1 50 TYR HA 1 80 PRO HB3 . . 5.140 4.102 3.957 4.231 . 0 0 "[ . 1 . 2]" 1
791 1 50 TYR HA 1 81 VAL HB . . 5.500 5.154 5.016 5.594 0.094 17 0 "[ . 1 . 2]" 1
792 1 50 TYR HA 1 81 VAL QG . . 4.920 3.421 3.126 3.537 . 0 0 "[ . 1 . 2]" 1
793 1 50 TYR HA 1 80 PRO HA . . 5.140 2.035 1.951 2.130 . 0 0 "[ . 1 . 2]" 1
794 1 50 TYR QB 1 79 VAL QG . . 5.500 4.839 4.778 4.950 . 0 0 "[ . 1 . 2]" 1
795 1 50 TYR QB 1 78 MET QG . . 5.500 3.686 3.426 4.038 . 0 0 "[ . 1 . 2]" 1
796 1 49 GLU HB2 1 50 TYR QB . . 5.500 4.326 4.251 4.374 . 0 0 "[ . 1 . 2]" 1
797 1 51 ASP HA 1 52 LEU HG . . 5.500 4.341 3.321 5.464 . 0 0 "[ . 1 . 2]" 1
798 1 51 ASP HA 1 52 LEU QD . . 5.020 2.966 2.420 3.919 . 0 0 "[ . 1 . 2]" 1
799 1 51 ASP HB3 1 58 VAL HB . . 5.500 5.470 5.166 5.562 0.062 2 0 "[ . 1 . 2]" 1
800 1 51 ASP HB2 1 79 VAL QG . . 4.880 1.821 1.760 1.875 . 0 0 "[ . 1 . 2]" 1
801 1 51 ASP HB3 1 79 VAL QG . . 4.870 2.308 2.209 2.413 . 0 0 "[ . 1 . 2]" 1
802 1 52 LEU HA 1 59 LEU HB3 . . 5.290 4.806 4.619 5.038 . 0 0 "[ . 1 . 2]" 1
803 1 36 LEU HA 1 52 LEU QD . . 5.500 4.079 3.609 4.633 . 0 0 "[ . 1 . 2]" 1
804 1 51 ASP H 1 52 LEU QD . . 5.460 3.599 3.055 4.177 . 0 0 "[ . 1 . 2]" 1
805 1 36 LEU H 1 52 LEU QD . . 5.500 5.195 4.805 5.609 0.109 5 0 "[ . 1 . 2]" 1
806 1 53 LYS HA 1 54 PHE HB3 . . 5.500 3.939 3.860 4.048 . 0 0 "[ . 1 . 2]" 1
807 1 53 LYS HA 1 77 GLU H . . 5.500 4.292 4.127 4.413 . 0 0 "[ . 1 . 2]" 1
808 1 53 LYS HB3 1 58 VAL HA . . 5.500 3.876 3.591 4.052 . 0 0 "[ . 1 . 2]" 1
809 1 53 LYS HB3 1 54 PHE H . . 5.500 4.148 4.010 4.305 . 0 0 "[ . 1 . 2]" 1
810 1 53 LYS HB3 1 53 LYS HE2 . . 5.500 2.336 2.001 2.930 . 0 0 "[ . 1 . 2]" 1
811 1 24 VAL QG 1 25 LYS QE . . 5.260 4.731 2.740 5.522 0.262 15 0 "[ . 1 . 2]" 1
812 1 53 LYS QG 1 58 VAL HB . . 5.500 3.818 3.112 4.654 . 0 0 "[ . 1 . 2]" 1
813 1 54 PHE HA 1 59 LEU QD . . 5.300 3.775 3.523 4.096 . 0 0 "[ . 1 . 2]" 1
814 1 54 PHE HB2 1 70 LEU QD . . 5.500 4.369 3.460 5.158 . 0 0 "[ . 1 . 2]" 1
815 1 54 PHE HB3 1 70 LEU QD . . 5.500 3.600 2.810 4.282 . 0 0 "[ . 1 . 2]" 1
816 1 55 GLN HA 1 55 GLN HG2 . . 4.280 2.722 2.145 3.808 . 0 0 "[ . 1 . 2]" 1
817 1 55 GLN HB2 1 56 ARG H . . 5.500 2.636 1.980 3.345 . 0 0 "[ . 1 . 2]" 1
818 1 55 GLN H 1 55 GLN HG3 . . 5.500 4.185 2.976 4.797 . 0 0 "[ . 1 . 2]" 1
819 1 55 GLN HG3 1 56 ARG H . . 5.500 3.726 2.226 4.306 . 0 0 "[ . 1 . 2]" 1
820 1 55 GLN HG2 1 56 ARG H . . 5.500 3.361 1.868 4.415 . 0 0 "[ . 1 . 2]" 1
821 1 55 GLN H 1 55 GLN HG2 . . 5.500 3.737 2.676 5.245 . 0 0 "[ . 1 . 2]" 1
822 1 57 THR HB 1 58 VAL QG . . 5.500 5.037 4.952 5.105 . 0 0 "[ . 1 . 2]" 1
823 1 54 PHE HB3 1 57 THR HB . . 5.500 3.480 2.950 4.104 . 0 0 "[ . 1 . 2]" 1
824 1 54 PHE HB2 1 57 THR HB . . 5.500 4.904 4.573 5.283 . 0 0 "[ . 1 . 2]" 1
825 1 54 PHE QD 1 57 THR HB . . 5.500 2.199 1.985 2.493 . 0 0 "[ . 1 . 2]" 1
826 1 57 THR HB 1 58 VAL H . . 5.270 4.413 4.298 4.530 . 0 0 "[ . 1 . 2]" 1
827 1 53 LYS HB2 1 58 VAL HA . . 5.500 2.526 2.073 2.897 . 0 0 "[ . 1 . 2]" 1
828 1 53 LYS QG 1 58 VAL HA . . 5.210 2.044 1.856 2.614 . 0 0 "[ . 1 . 2]" 1
829 1 53 LYS HA 1 58 VAL HA . . 4.950 2.158 2.087 2.219 . 0 0 "[ . 1 . 2]" 1
830 1 54 PHE HB3 1 58 VAL HA . . 5.500 5.188 5.074 5.421 . 0 0 "[ . 1 . 2]" 1
831 1 57 THR H 1 58 VAL HA . . 5.500 4.808 4.758 4.856 . 0 0 "[ . 1 . 2]" 1
832 1 53 LYS HA 1 58 VAL QG . . 5.500 3.827 3.706 3.923 . 0 0 "[ . 1 . 2]" 1
833 1 53 LYS QD 1 58 VAL QG . . 4.380 2.993 1.893 3.846 . 0 0 "[ . 1 . 2]" 1
834 1 59 LEU HB2 1 60 ASP H . . 5.500 4.501 4.452 4.527 . 0 0 "[ . 1 . 2]" 1
835 1 50 TYR QB 1 78 MET ME . . 4.520 2.566 2.278 2.712 . 0 0 "[ . 1 . 2]" 1
836 1 78 MET HB3 1 78 MET ME . . 4.070 2.898 2.589 3.069 . 0 0 "[ . 1 . 2]" 1
837 1 16 ALA MB 1 78 MET ME . . 4.430 3.430 3.101 3.724 . 0 0 "[ . 1 . 2]" 1
838 1 78 MET HB2 1 78 MET ME . . 4.410 3.897 3.620 4.027 . 0 0 "[ . 1 . 2]" 1
839 1 17 PRO HD2 1 78 MET ME . . 4.570 3.818 3.446 4.302 . 0 0 "[ . 1 . 2]" 1
840 1 45 PHE QD 1 78 MET ME . . 5.200 2.728 2.678 2.792 . 0 0 "[ . 1 . 2]" 1
841 1 50 TYR H 1 78 MET ME . . 5.500 5.330 5.121 5.522 0.022 6 0 "[ . 1 . 2]" 1
842 1 78 MET H 1 78 MET ME . . 5.500 5.208 5.049 5.334 . 0 0 "[ . 1 . 2]" 1
843 1 51 ASP H 1 78 MET ME . . 5.500 3.836 3.565 4.068 . 0 0 "[ . 1 . 2]" 1
844 1 59 LEU HG 1 70 LEU HG . . 5.500 4.379 3.468 5.563 0.063 12 0 "[ . 1 . 2]" 1
845 1 59 LEU HG 1 70 LEU QD . . 5.500 3.183 2.617 4.004 . 0 0 "[ . 1 . 2]" 1
846 1 59 LEU H 1 59 LEU HG . . 5.390 4.318 3.734 4.540 . 0 0 "[ . 1 . 2]" 1
847 1 60 ASP HA 1 62 SER H . . 5.500 4.857 4.160 4.967 . 0 0 "[ . 1 . 2]" 1
848 1 60 ASP HA 1 61 LEU HG . . 5.450 3.856 3.666 4.085 . 0 0 "[ . 1 . 2]" 1
849 1 60 ASP HA 1 63 LEU QD . . 5.500 3.688 3.552 4.288 . 0 0 "[ . 1 . 2]" 1
850 1 36 LEU QD 1 60 ASP HA . . 5.500 2.923 2.505 3.246 . 0 0 "[ . 1 . 2]" 1
851 1 60 ASP HB2 1 63 LEU HG . . 5.240 3.708 3.474 4.707 . 0 0 "[ . 1 . 2]" 1
852 1 60 ASP HB3 1 63 LEU HG . . 4.990 3.457 2.669 4.958 . 0 0 "[ . 1 . 2]" 1
853 1 60 ASP HB3 1 63 LEU QD . . 5.190 2.199 1.762 2.627 . 0 0 "[ . 1 . 2]" 1
854 1 36 LEU QD 1 60 ASP HB2 . . 5.500 4.976 4.544 5.306 . 0 0 "[ . 1 . 2]" 1
855 1 36 LEU QD 1 60 ASP HB3 . . 5.500 4.753 4.330 5.074 . 0 0 "[ . 1 . 2]" 1
856 1 59 LEU HA 1 60 ASP HB3 . . 5.500 4.956 4.926 4.974 . 0 0 "[ . 1 . 2]" 1
857 1 60 ASP HB3 1 61 LEU HG . . 5.500 4.434 4.067 4.699 . 0 0 "[ . 1 . 2]" 1
858 1 60 ASP HB2 1 61 LEU HG . . 5.500 5.370 5.018 5.615 0.115 19 0 "[ . 1 . 2]" 1
859 1 33 LEU MD1 1 61 LEU HB3 . . 4.790 4.347 4.107 4.617 . 0 0 "[ . 1 . 2]" 1
860 1 33 LEU HB2 1 61 LEU HB3 . . 5.330 2.691 2.345 3.054 . 0 0 "[ . 1 . 2]" 1
861 1 33 LEU HA 1 61 LEU MD2 . . 5.310 2.082 1.767 2.588 . 0 0 "[ . 1 . 2]" 1
862 1 33 LEU MD2 1 62 SER HA . . 5.500 3.750 3.548 3.915 . 0 0 "[ . 1 . 2]" 1
863 1 33 LEU HB3 1 62 SER HA . . 5.500 4.263 4.093 4.338 . 0 0 "[ . 1 . 2]" 1
864 1 62 SER HB3 1 63 LEU H . . 5.500 4.699 4.660 4.725 . 0 0 "[ . 1 . 2]" 1
865 1 62 SER HB2 1 63 LEU H . . 5.500 4.546 4.475 4.606 . 0 0 "[ . 1 . 2]" 1
866 1 63 LEU HB2 1 64 GLN H . . 5.500 4.509 4.424 4.597 . 0 0 "[ . 1 . 2]" 1
867 1 36 LEU QD 1 61 LEU MD2 . . 4.080 1.808 1.541 1.990 . 0 0 "[ . 1 . 2]" 1
868 1 61 LEU HA 1 63 LEU QD . . 5.500 4.796 4.084 5.296 . 0 0 "[ . 1 . 2]" 1
869 1 54 PHE HB2 1 59 LEU QD . . 5.500 2.945 2.491 3.346 . 0 0 "[ . 1 . 2]" 1
870 1 52 LEU HB2 1 59 LEU QD . . 4.350 3.655 3.246 3.800 . 0 0 "[ . 1 . 2]" 1
871 1 59 LEU QD 1 60 ASP H . . 5.360 3.294 3.079 4.079 . 0 0 "[ . 1 . 2]" 1
872 1 59 LEU QD 1 70 LEU QD . . 4.040 1.777 1.543 2.263 . 0 0 "[ . 1 . 2]" 1
873 1 63 LEU H 1 63 LEU HG . . 5.500 3.913 3.156 4.812 . 0 0 "[ . 1 . 2]" 1
874 1 64 GLN HB2 1 66 ARG HG3 . . 5.500 2.837 2.234 3.322 . 0 0 "[ . 1 . 2]" 1
875 1 31 VAL QG 1 64 GLN HB3 . . 5.500 2.905 2.687 3.153 . 0 0 "[ . 1 . 2]" 1
876 1 64 GLN HB2 1 66 ARG H . . 5.500 3.586 3.174 3.868 . 0 0 "[ . 1 . 2]" 1
877 1 64 GLN H 1 64 GLN HG3 . . 5.500 3.152 2.677 3.682 . 0 0 "[ . 1 . 2]" 1
878 1 31 VAL H 1 64 GLN HG3 . . 5.500 5.223 4.551 5.607 0.107 16 0 "[ . 1 . 2]" 1
879 1 31 VAL H 1 64 GLN HG2 . . 5.500 5.123 4.396 5.483 . 0 0 "[ . 1 . 2]" 1
880 1 31 VAL HB 1 64 GLN HG3 . . 4.280 3.364 2.435 4.559 0.279 16 0 "[ . 1 . 2]" 1
881 1 32 LEU HG 1 65 TRP HA . . 5.500 4.321 3.952 4.807 . 0 0 "[ . 1 . 2]" 1
882 1 65 TRP HA 1 68 ALA MB . . 4.730 2.801 2.497 3.235 . 0 0 "[ . 1 . 2]" 1
883 1 32 LEU MD2 1 65 TRP HA . . 5.010 4.130 2.569 4.849 . 0 0 "[ . 1 . 2]" 1
884 1 65 TRP HA 1 65 TRP HE3 . . 4.900 4.189 4.034 4.277 . 0 0 "[ . 1 . 2]" 1
885 1 65 TRP HA 1 68 ALA H . . 5.500 3.458 3.224 3.674 . 0 0 "[ . 1 . 2]" 1
886 1 65 TRP HA 1 67 PHE H . . 5.500 3.558 3.472 3.829 . 0 0 "[ . 1 . 2]" 1
887 1 30 THR MG 1 65 TRP HB3 . . 5.500 5.302 4.942 5.490 . 0 0 "[ . 1 . 2]" 1
888 1 64 GLN HB3 1 65 TRP HB3 . . 5.500 4.542 4.360 4.734 . 0 0 "[ . 1 . 2]" 1
889 1 30 THR MG 1 65 TRP HB2 . . 5.500 5.469 5.064 5.591 0.091 16 0 "[ . 1 . 2]" 1
890 1 32 LEU MD2 1 65 TRP HB2 . . 5.500 3.140 2.111 3.858 . 0 0 "[ . 1 . 2]" 1
891 1 32 LEU MD2 1 65 TRP HB3 . . 5.500 4.417 3.121 5.241 . 0 0 "[ . 1 . 2]" 1
892 1 65 TRP HD1 1 66 ARG HA . . 5.500 2.674 2.345 2.862 . 0 0 "[ . 1 . 2]" 1
893 1 66 ARG HD2 1 67 PHE QD . . 5.500 4.088 2.549 5.428 . 0 0 "[ . 1 . 2]" 1
894 1 64 GLN HG2 1 66 ARG HG3 . . 5.310 4.649 4.198 5.026 . 0 0 "[ . 1 . 2]" 1
895 1 66 ARG HG2 1 67 PHE HB2 . . 5.320 4.112 3.609 4.876 . 0 0 "[ . 1 . 2]" 1
896 1 64 GLN HB3 1 66 ARG HG2 . . 5.500 2.147 1.972 2.625 . 0 0 "[ . 1 . 2]" 1
897 1 64 GLN HB3 1 66 ARG HG3 . . 5.500 3.359 2.701 3.794 . 0 0 "[ . 1 . 2]" 1
898 1 66 ARG HG3 1 67 PHE H . . 5.500 2.754 2.244 3.378 . 0 0 "[ . 1 . 2]" 1
899 1 63 LEU QD 1 67 PHE HB2 . . 5.500 4.507 4.124 4.848 . 0 0 "[ . 1 . 2]" 1
900 1 63 LEU QD 1 67 PHE HB3 . . 5.500 4.320 3.949 4.708 . 0 0 "[ . 1 . 2]" 1
901 1 64 GLN H 1 67 PHE HB2 . . 5.500 2.698 2.350 3.004 . 0 0 "[ . 1 . 2]" 1
902 1 63 LEU QD 1 68 ALA HA . . 5.160 4.226 3.976 4.416 . 0 0 "[ . 1 . 2]" 1
903 1 63 LEU HB3 1 68 ALA HA . . 5.500 4.849 4.384 5.396 . 0 0 "[ . 1 . 2]" 1
904 1 67 PHE H 1 68 ALA HA . . 5.500 4.840 4.754 4.936 . 0 0 "[ . 1 . 2]" 1
905 1 67 PHE HB3 1 68 ALA MB . . 5.500 4.066 3.930 4.213 . 0 0 "[ . 1 . 2]" 1
906 1 63 LEU HB2 1 68 ALA MB . . 5.290 3.888 3.528 4.293 . 0 0 "[ . 1 . 2]" 1
907 1 66 ARG H 1 68 ALA MB . . 5.500 5.244 5.064 5.471 . 0 0 "[ . 1 . 2]" 1
908 1 68 ALA MB 1 69 ASN HA . . 5.500 4.437 4.338 4.525 . 0 0 "[ . 1 . 2]" 1
909 1 36 LEU H 1 37 GLU HG3 . . 5.500 5.469 5.336 5.540 0.040 5 0 "[ . 1 . 2]" 1
910 1 73 ASN HB2 1 74 ALA H . . 5.200 3.826 3.528 4.211 . 0 0 "[ . 1 . 2]" 1
911 1 65 TRP HD1 1 69 ASN HB2 . . 5.500 5.290 4.925 5.515 0.015 6 0 "[ . 1 . 2]" 1
912 1 68 ALA MB 1 70 LEU HB3 . . 5.500 5.186 4.941 5.436 . 0 0 "[ . 1 . 2]" 1
913 1 68 ALA MB 1 70 LEU HB2 . . 5.500 4.883 4.528 5.322 . 0 0 "[ . 1 . 2]" 1
914 1 70 LEU HB2 1 74 ALA MB . . 5.500 2.358 1.935 2.854 . 0 0 "[ . 1 . 2]" 1
915 1 65 TRP HH2 1 70 LEU HB3 . . 5.500 4.384 3.824 5.057 . 0 0 "[ . 1 . 2]" 1
916 1 70 LEU QD 1 74 ALA MB . . 4.790 2.749 2.333 3.192 . 0 0 "[ . 1 . 2]" 1
917 1 54 PHE QD 1 70 LEU QD . . 4.990 2.663 2.091 3.377 . 0 0 "[ . 1 . 2]" 1
918 1 70 LEU QD 1 76 LEU HG . . 5.500 3.564 2.767 4.972 . 0 0 "[ . 1 . 2]" 1
919 1 70 LEU QD 1 71 PRO HD2 . . 4.820 3.288 2.383 3.579 . 0 0 "[ . 1 . 2]" 1
920 1 70 LEU HB2 1 71 PRO HD2 . . 5.500 3.469 3.101 3.707 . 0 0 "[ . 1 . 2]" 1
921 1 70 LEU HB3 1 71 PRO HD2 . . 5.110 1.944 1.797 2.034 . 0 0 "[ . 1 . 2]" 1
922 1 70 LEU QD 1 71 PRO HD3 . . 5.140 3.126 2.540 3.491 . 0 0 "[ . 1 . 2]" 1
923 1 70 LEU HB3 1 71 PRO HD3 . . 5.320 2.924 2.657 3.093 . 0 0 "[ . 1 . 2]" 1
924 1 70 LEU HB2 1 71 PRO HD3 . . 5.500 4.206 3.962 4.345 . 0 0 "[ . 1 . 2]" 1
925 1 71 PRO HD3 1 74 ALA MB . . 5.310 3.697 3.493 3.937 . 0 0 "[ . 1 . 2]" 1
926 1 71 PRO HD3 1 74 ALA H . . 5.500 5.008 4.934 5.050 . 0 0 "[ . 1 . 2]" 1
927 1 70 LEU HA 1 71 PRO QG . . 5.500 3.991 3.965 4.042 . 0 0 "[ . 1 . 2]" 1
928 1 71 PRO QG 1 74 ALA MB . . 4.530 3.464 3.379 3.550 . 0 0 "[ . 1 . 2]" 1
929 1 71 PRO QG 1 75 LYS QG . . 4.150 3.396 3.061 4.050 . 0 0 "[ . 1 . 2]" 1
930 1 15 LEU HA 1 21 ARG HG2 . . 5.180 3.291 2.129 3.946 . 0 0 "[ . 1 . 2]" 1
931 1 72 ASN HB3 1 73 ASN H . . 5.500 3.455 3.358 3.596 . 0 0 "[ . 1 . 2]" 1
932 1 72 ASN HB2 1 74 ALA H . . 5.500 4.232 4.130 4.384 . 0 0 "[ . 1 . 2]" 1
933 1 71 PRO QG 1 74 ALA HA . . 4.730 1.870 1.796 1.985 . 0 0 "[ . 1 . 2]" 1
934 1 73 ASN HB3 1 74 ALA HA . . 5.500 4.925 4.689 5.537 0.037 16 0 "[ . 1 . 2]" 1
935 1 65 TRP HH2 1 74 ALA MB . . 5.330 2.347 1.948 2.580 . 0 0 "[ . 1 . 2]" 1
936 1 65 TRP HZ3 1 74 ALA MB . . 5.500 2.091 1.816 2.325 . 0 0 "[ . 1 . 2]" 1
937 1 65 TRP HZ2 1 74 ALA MB . . 5.500 3.841 3.448 4.048 . 0 0 "[ . 1 . 2]" 1
938 1 71 PRO HD2 1 74 ALA MB . . 4.820 2.331 2.161 2.466 . 0 0 "[ . 1 . 2]" 1
939 1 70 LEU HA 1 74 ALA MB . . 5.500 3.762 3.500 4.136 . 0 0 "[ . 1 . 2]" 1
940 1 70 LEU HB3 1 74 ALA MB . . 4.310 1.831 1.728 2.139 . 0 0 "[ . 1 . 2]" 1
941 1 75 LYS HA 1 76 LEU HA . . 5.500 4.368 4.366 4.372 . 0 0 "[ . 1 . 2]" 1
942 1 74 ALA HA 1 75 LYS HB3 . . 5.500 5.180 4.751 5.858 0.358 17 0 "[ . 1 . 2]" 1
943 1 75 LYS QE 1 76 LEU QD . . 5.500 4.632 3.769 5.238 . 0 0 "[ . 1 . 2]" 1
944 1 75 LYS HB2 1 76 LEU HA . . 5.070 4.802 4.662 4.895 . 0 0 "[ . 1 . 2]" 1
945 1 52 LEU QD 1 76 LEU HB3 . . 4.740 4.070 3.621 4.610 . 0 0 "[ . 1 . 2]" 1
946 1 12 VAL HB 1 76 LEU QD . . 5.500 3.490 2.167 3.752 . 0 0 "[ . 1 . 2]" 1
947 1 76 LEU H 1 76 LEU HG . . 5.500 3.766 2.348 4.079 . 0 0 "[ . 1 . 2]" 1
948 1 15 LEU QD 1 77 GLU QB . . 5.280 2.499 2.197 2.887 . 0 0 "[ . 1 . 2]" 1
949 1 15 LEU H 1 77 GLU QG . . 5.500 5.159 4.105 5.688 0.188 7 0 "[ . 1 . 2]" 1
950 1 15 LEU QD 1 77 GLU QG . . 4.550 3.225 1.910 4.022 . 0 0 "[ . 1 . 2]" 1
951 1 53 LYS QG 1 77 GLU QG . . 5.500 4.311 2.786 5.228 . 0 0 "[ . 1 . 2]" 1
952 1 76 LEU HB3 1 77 GLU QG . . 5.310 4.896 4.453 5.311 0.001 17 0 "[ . 1 . 2]" 1
953 1 53 LYS QD 1 77 GLU QG . . 5.350 4.206 3.305 4.966 . 0 0 "[ . 1 . 2]" 1
954 1 52 LEU QD 1 78 MET HA . . 4.490 2.613 1.917 3.771 . 0 0 "[ . 1 . 2]" 1
955 1 53 LYS H 1 78 MET HA . . 5.500 4.134 4.056 4.229 . 0 0 "[ . 1 . 2]" 1
956 1 14 VAL MG1 1 78 MET HB2 . . 5.500 2.758 2.303 3.222 . 0 0 "[ . 1 . 2]" 1
957 1 14 VAL MG1 1 78 MET HB3 . . 5.500 4.102 3.764 4.421 . 0 0 "[ . 1 . 2]" 1
958 1 50 TYR QD 1 78 MET HB3 . . 5.500 5.475 5.202 5.547 0.047 12 0 "[ . 1 . 2]" 1
959 1 50 TYR QD 1 78 MET QG . . 5.500 4.366 4.137 4.712 . 0 0 "[ . 1 . 2]" 1
960 1 78 MET ME 1 79 VAL HA . . 4.590 3.984 3.760 4.180 . 0 0 "[ . 1 . 2]" 1
961 1 78 MET HB3 1 79 VAL HA . . 5.500 4.170 4.124 4.224 . 0 0 "[ . 1 . 2]" 1
962 1 79 VAL HA 1 80 PRO HB2 . . 5.500 5.477 5.462 5.499 . 0 0 "[ . 1 . 2]" 1
963 1 79 VAL QG 1 80 PRO HD3 . . 5.500 3.179 2.661 3.721 . 0 0 "[ . 1 . 2]" 1
964 1 79 VAL QG 1 80 PRO HD2 . . 5.500 2.563 1.866 3.377 . 0 0 "[ . 1 . 2]" 1
965 1 80 PRO HA 1 81 VAL QG . . 4.950 3.639 3.071 3.809 . 0 0 "[ . 1 . 2]" 1
966 1 50 TYR QB 1 80 PRO HA . . 5.500 4.070 4.001 4.157 . 0 0 "[ . 1 . 2]" 1
967 1 80 PRO HB3 1 81 VAL QG . . 5.500 5.129 4.440 5.315 . 0 0 "[ . 1 . 2]" 1
968 1 79 VAL QG 1 80 PRO HB2 . . 5.500 4.848 4.535 5.277 . 0 0 "[ . 1 . 2]" 1
969 1 79 VAL HB 1 80 PRO HD3 . . 4.820 4.011 3.402 4.488 . 0 0 "[ . 1 . 2]" 1
970 1 79 VAL HB 1 80 PRO HD2 . . 4.720 3.493 2.507 4.273 . 0 0 "[ . 1 . 2]" 1
971 1 78 MET HB3 1 80 PRO HD3 . . 5.500 4.941 4.777 5.100 . 0 0 "[ . 1 . 2]" 1
972 1 78 MET ME 1 80 PRO HD2 . . 5.350 5.200 4.986 5.366 0.016 17 0 "[ . 1 . 2]" 1
973 1 78 MET ME 1 80 PRO HD3 . . 5.470 3.980 3.789 4.150 . 0 0 "[ . 1 . 2]" 1
974 1 50 TYR QE 1 80 PRO HG2 . . 5.500 5.548 5.499 5.591 0.091 5 0 "[ . 1 . 2]" 1
975 1 50 TYR QE 1 80 PRO HG3 . . 5.500 4.281 4.225 4.351 . 0 0 "[ . 1 . 2]" 1
976 1 51 ASP HB2 1 81 VAL HA . . 5.500 5.453 5.402 5.525 0.025 10 0 "[ . 1 . 2]" 1
977 1 80 PRO HG2 1 81 VAL QG . . 5.500 4.934 3.971 5.232 . 0 0 "[ . 1 . 2]" 1
978 1 81 VAL QG 1 82 SER HA . . 5.500 3.532 3.324 4.299 . 0 0 "[ . 1 . 2]" 1
979 1 81 VAL QG 1 83 ARG HA . . 5.500 4.563 4.036 5.435 . 0 0 "[ . 1 . 2]" 1
980 1 84 SER HA 1 85 ARG QG . . 5.500 4.745 3.837 5.678 0.178 1 0 "[ . 1 . 2]" 1
981 1 81 VAL QG 1 84 SER HA . . 5.390 4.396 3.487 5.230 . 0 0 "[ . 1 . 2]" 1
982 1 81 VAL QG 1 82 SER QB . . 5.500 3.528 3.097 4.521 . 0 0 "[ . 1 . 2]" 1
983 1 83 ARG HB2 1 84 SER HA . . 5.500 5.159 4.756 6.120 0.620 19 1 "[ . 1 . +2]" 1
984 1 65 TRP HZ2 1 70 LEU HB2 . . 5.500 4.065 3.665 4.417 . 0 0 "[ . 1 . 2]" 1
985 1 45 PHE HB3 1 50 TYR QE . . 5.500 3.436 3.236 3.708 . 0 0 "[ . 1 . 2]" 1
986 1 45 PHE HB2 1 50 TYR QE . . 5.500 4.260 4.076 4.545 . 0 0 "[ . 1 . 2]" 1
987 1 50 TYR QE 1 78 MET QG . . 5.500 5.468 5.322 5.534 0.034 7 0 "[ . 1 . 2]" 1
988 1 50 TYR QE 1 80 PRO HD3 . . 5.500 4.985 4.884 5.065 . 0 0 "[ . 1 . 2]" 1
989 1 50 TYR QE 1 78 MET ME . . 5.500 2.657 2.514 2.804 . 0 0 "[ . 1 . 2]" 1
990 1 14 VAL HB 1 22 HIS HD2 . . 5.500 4.175 3.623 4.591 . 0 0 "[ . 1 . 2]" 1
991 1 22 HIS HD2 1 39 THR HA . . 6.000 6.028 5.935 6.058 0.058 1 0 "[ . 1 . 2]" 1
992 1 65 TRP HZ3 1 70 LEU HB2 . . 5.240 3.384 2.898 3.641 . 0 0 "[ . 1 . 2]" 1
993 1 28 PRO HB3 1 65 TRP HD1 . . 5.500 3.576 3.299 3.712 . 0 0 "[ . 1 . 2]" 1
994 1 28 PRO HB2 1 65 TRP HD1 . . 5.500 3.457 3.143 3.905 . 0 0 "[ . 1 . 2]" 1
995 1 65 TRP HH2 1 70 LEU HB2 . . 5.230 3.863 3.379 4.311 . 0 0 "[ . 1 . 2]" 1
996 1 43 GLN HB3 1 45 PHE QE . . 6.000 5.839 5.797 5.913 . 0 0 "[ . 1 . 2]" 1
997 1 64 GLN HB3 1 67 PHE QD . . 5.500 3.649 2.935 4.613 . 0 0 "[ . 1 . 2]" 1
998 1 64 GLN HB2 1 67 PHE QD . . 5.500 2.110 1.890 3.275 . 0 0 "[ . 1 . 2]" 1
999 1 66 ARG HG3 1 67 PHE QD . . 5.500 2.724 1.969 3.337 . 0 0 "[ . 1 . 2]" 1
1000 1 43 GLN HB3 1 45 PHE QD . . 5.500 5.040 4.995 5.107 . 0 0 "[ . 1 . 2]" 1
1001 1 54 PHE QD 1 59 LEU QD . . 5.500 2.615 2.060 3.038 . 0 0 "[ . 1 . 2]" 1
1002 1 50 TYR QD 1 78 MET ME . . 5.500 2.191 1.906 2.412 . 0 0 "[ . 1 . 2]" 1
1003 1 50 TYR QD 1 80 PRO HB2 . . 5.500 4.332 4.263 4.434 . 0 0 "[ . 1 . 2]" 1
1004 1 49 GLU QG 1 50 TYR QD . . 5.500 5.351 5.208 5.476 . 0 0 "[ . 1 . 2]" 1
1005 1 45 PHE QE 1 50 TYR QD . . 5.500 3.777 3.644 3.985 . 0 0 "[ . 1 . 2]" 1
1006 1 46 ASN H 1 50 TYR QD . . 5.500 2.082 1.949 2.271 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 207
_Distance_constraint_stats_list.Viol_total 156.092
_Distance_constraint_stats_list.Viol_max 0.113
_Distance_constraint_stats_list.Viol_rms 0.0195
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0377
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 11 ALA 1.338 0.070 20 0 "[ . 1 . 2]"
1 12 VAL 0.157 0.014 18 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.028 0.014 11 0 "[ . 1 . 2]"
1 15 LEU 0.890 0.056 17 0 "[ . 1 . 2]"
1 16 ALA 2.044 0.113 18 0 "[ . 1 . 2]"
1 20 ARG 2.044 0.113 18 0 "[ . 1 . 2]"
1 22 HIS 0.028 0.014 11 0 "[ . 1 . 2]"
1 24 VAL 0.157 0.014 18 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 0.010 0.008 17 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.006 0.006 9 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.010 0.008 17 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.006 0.006 9 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PRO 0.023 0.007 11 0 "[ . 1 . 2]"
1 49 GLU 1.711 0.104 1 0 "[ . 1 . 2]"
1 50 TYR 0.023 0.007 11 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 1.152 0.069 20 0 "[ . 1 . 2]"
1 53 LYS 0.446 0.033 17 0 "[ . 1 . 2]"
1 54 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 1.152 0.069 20 0 "[ . 1 . 2]"
1 64 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 1.338 0.070 20 0 "[ . 1 . 2]"
1 76 LEU 0.713 0.056 17 0 "[ . 1 . 2]"
1 77 GLU 0.446 0.033 17 0 "[ . 1 . 2]"
1 78 MET 0.177 0.025 9 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 1.711 0.104 1 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 32 LEU O 1 36 LEU H . . 2.000 1.471 1.421 1.530 . 0 0 "[ . 1 . 2]" 2
2 1 32 LEU O 1 36 LEU N . . 3.000 2.453 2.393 2.518 . 0 0 "[ . 1 . 2]" 2
3 1 33 LEU O 1 37 GLU H . . 2.000 1.758 1.702 1.812 . 0 0 "[ . 1 . 2]" 2
4 1 33 LEU O 1 37 GLU N . . 3.000 2.673 2.607 2.723 . 0 0 "[ . 1 . 2]" 2
5 1 34 GLN O 1 38 ASP H . . 2.000 1.953 1.821 2.008 0.008 17 0 "[ . 1 . 2]" 2
6 1 34 GLN O 1 38 ASP N . . 3.000 2.840 2.710 2.914 . 0 0 "[ . 1 . 2]" 2
7 1 35 VAL O 1 39 THR H . . 2.000 1.785 1.649 1.944 . 0 0 "[ . 1 . 2]" 2
8 1 35 VAL O 1 39 THR N . . 3.000 2.782 2.648 2.933 . 0 0 "[ . 1 . 2]" 2
9 1 36 LEU O 1 40 CYS H . . 2.000 1.832 1.754 2.006 0.006 9 0 "[ . 1 . 2]" 2
10 1 36 LEU O 1 40 CYS N . . 3.000 2.693 2.615 2.870 . 0 0 "[ . 1 . 2]" 2
11 1 37 GLU O 1 41 ARG H . . 2.000 1.850 1.711 1.994 . 0 0 "[ . 1 . 2]" 2
12 1 37 GLU O 1 41 ARG N . . 3.000 2.690 2.566 2.822 . 0 0 "[ . 1 . 2]" 2
13 1 38 ASP O 1 42 ARG H . . 2.000 1.890 1.774 1.987 . 0 0 "[ . 1 . 2]" 2
14 1 38 ASP O 1 42 ARG N . . 3.000 2.857 2.749 2.953 . 0 0 "[ . 1 . 2]" 2
15 1 46 ASN O 1 49 GLU H . . 2.500 2.419 2.407 2.430 . 0 0 "[ . 1 . 2]" 2
16 1 46 ASN O 1 49 GLU N . . 3.500 3.330 3.323 3.342 . 0 0 "[ . 1 . 2]" 2
17 1 47 PRO O 1 50 TYR H . . 2.000 1.989 1.894 2.007 0.007 11 0 "[ . 1 . 2]" 2
18 1 47 PRO O 1 50 TYR N . . 3.000 2.900 2.824 2.933 . 0 0 "[ . 1 . 2]" 2
19 1 64 GLN O 1 68 ALA H . . 2.000 1.529 1.431 1.656 . 0 0 "[ . 1 . 2]" 2
20 1 64 GLN O 1 68 ALA N . . 3.000 2.466 2.359 2.602 . 0 0 "[ . 1 . 2]" 2
21 1 65 TRP O 1 69 ASN H . . 2.000 1.822 1.695 1.952 . 0 0 "[ . 1 . 2]" 2
22 1 65 TRP O 1 69 ASN N . . 3.000 2.583 2.481 2.728 . 0 0 "[ . 1 . 2]" 2
23 1 12 VAL H 1 24 VAL O . . 2.000 1.983 1.830 2.014 0.014 18 0 "[ . 1 . 2]" 2
24 1 12 VAL N 1 24 VAL O . . 3.000 2.739 2.542 2.825 . 0 0 "[ . 1 . 2]" 2
25 1 12 VAL O 1 24 VAL H . . 2.000 1.953 1.778 2.011 0.011 17 0 "[ . 1 . 2]" 2
26 1 12 VAL O 1 24 VAL O . . 3.000 2.127 1.996 2.238 . 0 0 "[ . 1 . 2]" 2
27 1 14 VAL H 1 22 HIS O . . 2.000 1.823 1.757 1.899 . 0 0 "[ . 1 . 2]" 2
28 1 14 VAL N 1 22 HIS O . . 3.000 2.707 2.649 2.764 . 0 0 "[ . 1 . 2]" 2
29 1 14 VAL O 1 22 HIS H . . 2.000 1.966 1.871 2.014 0.014 11 0 "[ . 1 . 2]" 2
30 1 14 VAL O 1 22 HIS N . . 3.000 2.921 2.833 2.973 . 0 0 "[ . 1 . 2]" 2
31 1 16 ALA H 1 20 ARG O . . 2.000 1.668 1.493 1.809 . 0 0 "[ . 1 . 2]" 2
32 1 16 ALA N 1 20 ARG O . . 3.000 2.525 2.403 2.632 . 0 0 "[ . 1 . 2]" 2
33 1 16 ALA O 1 20 ARG H . . 2.500 2.602 2.587 2.613 0.113 18 0 "[ . 1 . 2]" 2
34 1 16 ALA O 1 20 ARG N . . 3.500 3.307 3.288 3.320 . 0 0 "[ . 1 . 2]" 2
35 1 11 ALA O 1 74 ALA H . . 3.000 3.009 3.002 3.018 0.018 20 0 "[ . 1 . 2]" 2
36 1 11 ALA O 1 74 ALA N . . 2.500 2.558 2.544 2.570 0.070 20 0 "[ . 1 . 2]" 2
37 1 13 SER H 1 74 ALA O . . 2.000 1.475 1.366 1.576 . 0 0 "[ . 1 . 2]" 2
38 1 13 SER N 1 74 ALA O . . 3.000 2.399 2.302 2.483 . 0 0 "[ . 1 . 2]" 2
39 1 13 SER O 1 76 LEU H . . 2.000 1.355 1.235 1.460 . 0 0 "[ . 1 . 2]" 2
40 1 13 SER O 1 76 LEU N . . 3.000 2.340 2.213 2.450 . 0 0 "[ . 1 . 2]" 2
41 1 15 LEU H 1 76 LEU O . . 2.000 2.036 2.018 2.056 0.056 17 0 "[ . 1 . 2]" 2
42 1 15 LEU N 1 76 LEU O . . 3.000 2.972 2.938 2.998 . 0 0 "[ . 1 . 2]" 2
43 1 15 LEU O 1 78 MET H . . 2.000 2.002 1.969 2.025 0.025 9 0 "[ . 1 . 2]" 2
44 1 15 LEU O 1 78 MET N . . 3.000 2.993 2.967 3.009 0.009 18 0 "[ . 1 . 2]" 2
45 1 49 GLU H 1 81 VAL O . . 3.000 3.086 3.075 3.104 0.104 1 0 "[ . 1 . 2]" 2
46 1 49 GLU N 1 81 VAL O . . 3.000 2.451 2.427 2.491 . 0 0 "[ . 1 . 2]" 2
47 1 49 GLU O 1 81 VAL H . . 2.000 1.932 1.821 1.996 . 0 0 "[ . 1 . 2]" 2
48 1 49 GLU O 1 81 VAL N . . 3.000 2.798 2.679 2.876 . 0 0 "[ . 1 . 2]" 2
49 1 51 ASP H 1 79 VAL O . . 2.000 1.301 1.257 1.339 . 0 0 "[ . 1 . 2]" 2
50 1 51 ASP N 1 79 VAL O . . 3.000 2.263 2.214 2.290 . 0 0 "[ . 1 . 2]" 2
51 1 51 ASP O 1 79 VAL H . . 2.000 1.764 1.699 1.817 . 0 0 "[ . 1 . 2]" 2
52 1 51 ASP O 1 79 VAL N . . 3.000 2.635 2.563 2.729 . 0 0 "[ . 1 . 2]" 2
53 1 53 LYS H 1 77 GLU O . . 2.000 2.022 2.015 2.033 0.033 17 0 "[ . 1 . 2]" 2
54 1 53 LYS N 1 77 GLU O . . 3.000 2.945 2.923 2.966 . 0 0 "[ . 1 . 2]" 2
55 1 53 LYS O 1 77 GLU H . . 2.000 1.641 1.507 1.786 . 0 0 "[ . 1 . 2]" 2
56 1 53 LYS O 1 77 GLU N . . 3.000 2.595 2.480 2.739 . 0 0 "[ . 1 . 2]" 2
57 1 54 PHE O 1 57 THR H . . 2.000 1.686 1.578 1.909 . 0 0 "[ . 1 . 2]" 2
58 1 54 PHE O 1 57 THR N . . 3.000 2.648 2.543 2.866 . 0 0 "[ . 1 . 2]" 2
59 1 54 PHE H 1 57 THR O . . 2.000 1.476 1.386 1.590 . 0 0 "[ . 1 . 2]" 2
60 1 54 PHE N 1 57 THR O . . 3.000 2.437 2.364 2.525 . 0 0 "[ . 1 . 2]" 2
61 1 52 LEU O 1 59 LEU H . . 2.000 1.302 1.269 1.340 . 0 0 "[ . 1 . 2]" 2
62 1 52 LEU O 1 59 LEU N . . 3.000 2.162 2.128 2.206 . 0 0 "[ . 1 . 2]" 2
63 1 52 LEU H 1 59 LEU O . . 2.000 2.058 2.047 2.069 0.069 20 0 "[ . 1 . 2]" 2
64 1 52 LEU N 1 59 LEU O . . 3.000 2.863 2.809 2.910 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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