NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521122 |
2lje   |
17931 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lje
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 509
_Distance_constraint_stats_list.Viol_count 1005
_Distance_constraint_stats_list.Viol_total 965.841
_Distance_constraint_stats_list.Viol_max 0.738
_Distance_constraint_stats_list.Viol_rms 0.0363
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0641
_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 21 LYS 13.874 0.738 9 6 "[* - * +1 * *]"
1 22 LEU 2.323 0.137 9 0 "[ . 1 .]"
1 23 LEU 3.764 0.592 15 2 "[ - . 1 +]"
1 24 ILE 0.985 0.111 4 0 "[ . 1 .]"
1 25 THR 3.157 0.098 4 0 "[ . 1 .]"
1 26 ILE 2.554 0.131 8 0 "[ . 1 .]"
1 27 HIS 1.676 0.092 10 0 "[ . 1 .]"
1 28 ASP 1.512 0.092 10 0 "[ . 1 .]"
1 29 ARG 2.389 0.131 8 0 "[ . 1 .]"
1 30 LYS 1.419 0.165 6 0 "[ . 1 .]"
1 31 GLU 1.267 0.194 15 0 "[ . 1 .]"
1 32 PHE 3.455 0.194 15 0 "[ . 1 .]"
1 33 ALA 2.038 0.165 6 0 "[ . 1 .]"
1 34 LYS 2.803 0.133 2 0 "[ . 1 .]"
1 35 PHE 4.362 0.175 4 0 "[ . 1 .]"
1 36 GLU 3.366 0.175 4 0 "[ . 1 .]"
1 37 GLU 2.941 0.142 8 0 "[ . 1 .]"
1 38 GLU 1.452 0.100 15 0 "[ . 1 .]"
1 39 ARG 1.383 0.127 9 0 "[ . 1 .]"
1 40 ALA 2.203 0.114 6 0 "[ . 1 .]"
1 41 ARG 1.177 0.130 15 0 "[ . 1 .]"
1 42 ALA 4.002 0.127 9 0 "[ . 1 .]"
1 43 LYS 4.055 0.152 13 0 "[ . 1 .]"
1 44 TRP 3.206 0.169 10 0 "[ . 1 .]"
1 45 ASP 1.476 0.129 5 0 "[ . 1 .]"
1 46 THR 0.526 0.169 10 0 "[ . 1 .]"
1 47 ALA 0.617 0.114 12 0 "[ . 1 .]"
1 48 ASN 1.409 0.160 10 0 "[ . 1 .]"
1 49 ASN 3.948 0.160 10 0 "[ . 1 .]"
1 50 PRO 3.748 0.167 1 0 "[ . 1 .]"
1 51 LEU 5.855 0.144 4 0 "[ . 1 .]"
1 52 PTR 9.472 0.296 6 0 "[ . 1 .]"
1 53 LYS 7.807 0.296 6 0 "[ . 1 .]"
1 54 GLU 2.768 0.194 15 0 "[ . 1 .]"
1 55 ALA 0.596 0.139 15 0 "[ . 1 .]"
1 56 THR 1.330 0.174 4 0 "[ . 1 .]"
1 57 SER 0.000 0.000 . 0 "[ . 1 .]"
1 58 THR 0.718 0.145 8 0 "[ . 1 .]"
1 59 PHE 0.274 0.099 3 0 "[ . 1 .]"
1 60 THR 0.341 0.099 3 0 "[ . 1 .]"
1 61 ASN 0.200 0.118 13 0 "[ . 1 .]"
1 62 ILE 0.567 0.118 13 0 "[ . 1 .]"
1 63 THR 0.177 0.079 8 0 "[ . 1 .]"
1 64 PTR 0.177 0.079 8 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 LYS H 1 21 LYS HB3 2.735 . 3.670 3.075 2.360 3.767 0.097 11 0 "[ . 1 .]" 1
2 1 21 LYS H 1 21 LYS QD 2.590 . 3.380 3.472 2.301 4.118 0.738 9 2 "[ - +1 .]" 1
3 1 21 LYS H 1 21 LYS QE 3.170 . 4.540 4.651 3.500 5.206 0.666 1 2 "[+ . 1 - .]" 1
4 1 21 LYS H 1 21 LYS QG 2.770 . 3.740 2.980 1.975 4.295 0.555 1 1 "[+ . 1 .]" 1
5 1 21 LYS H 1 22 LEU H 2.765 . 3.730 2.649 1.889 3.382 . 0 0 "[ . 1 .]" 1
6 1 21 LYS H 1 23 LEU H 3.230 . 4.660 4.425 3.225 5.252 0.592 15 2 "[ - . 1 +]" 1
7 1 21 LYS HA 1 21 LYS QD 2.830 . 3.860 3.754 3.588 3.849 . 0 0 "[ . 1 .]" 1
8 1 21 LYS HA 1 21 LYS QE 3.500 . 5.200 4.463 3.884 5.205 0.005 9 0 "[ . 1 .]" 1
9 1 21 LYS HA 1 21 LYS QG 2.725 . 3.650 3.492 3.431 3.520 . 0 0 "[ . 1 .]" 1
10 1 21 LYS HB2 1 21 LYS QE 3.010 . 4.220 2.880 1.944 4.304 0.084 14 0 "[ . 1 .]" 1
11 1 21 LYS HB2 1 22 LEU H 3.040 . 4.280 4.255 3.973 4.410 0.130 1 0 "[ . 1 .]" 1
12 1 21 LYS HB2 1 25 THR H 3.625 . 5.450 4.268 3.741 4.622 . 0 0 "[ . 1 .]" 1
13 1 21 LYS HB3 1 21 LYS QE 3.150 . 4.500 3.850 3.469 4.520 0.020 8 0 "[ . 1 .]" 1
14 1 21 LYS HB3 1 21 LYS QG 2.340 . 2.880 2.222 2.176 2.383 . 0 0 "[ . 1 .]" 1
15 1 21 LYS HB3 1 22 LEU H 3.200 . 4.600 4.474 4.194 4.614 0.014 10 0 "[ . 1 .]" 1
16 1 21 LYS QE 1 21 LYS QG 2.745 . 3.690 2.519 2.090 2.845 . 0 0 "[ . 1 .]" 1
17 1 21 LYS QE 1 22 LEU HB2 2.800 . 3.800 3.854 3.822 3.937 0.137 9 0 "[ . 1 .]" 1
18 1 21 LYS QE 1 25 THR H 3.280 . 4.760 4.394 3.824 4.811 0.051 8 0 "[ . 1 .]" 1
19 1 21 LYS QG 1 22 LEU H 3.070 . 4.340 3.597 3.092 3.958 . 0 0 "[ . 1 .]" 1
20 1 22 LEU H 1 22 LEU HB2 2.585 . 3.370 2.540 2.395 2.686 . 0 0 "[ . 1 .]" 1
21 1 22 LEU H 1 22 LEU HB3 2.445 . 3.090 2.434 2.349 2.555 . 0 0 "[ . 1 .]" 1
22 1 22 LEU H 1 22 LEU MD1 3.020 . 4.240 4.111 3.994 4.214 . 0 0 "[ . 1 .]" 1
23 1 22 LEU H 1 22 LEU QD 2.865 . 3.930 3.711 3.654 3.772 . 0 0 "[ . 1 .]" 1
24 1 22 LEU H 1 22 LEU MD2 3.070 . 4.340 4.226 4.196 4.256 . 0 0 "[ . 1 .]" 1
25 1 22 LEU H 1 22 LEU HG 3.240 . 4.680 4.436 4.379 4.484 . 0 0 "[ . 1 .]" 1
26 1 22 LEU H 1 23 LEU H 2.690 . 3.580 2.651 2.459 2.863 . 0 0 "[ . 1 .]" 1
27 1 22 LEU H 1 25 THR HB 3.595 . 5.390 5.101 4.740 5.322 . 0 0 "[ . 1 .]" 1
28 1 22 LEU H 1 25 THR MG 3.170 . 4.540 4.243 4.043 4.460 . 0 0 "[ . 1 .]" 1
29 1 22 LEU HA 1 22 LEU MD1 2.875 . 3.950 2.104 2.012 2.188 . 0 0 "[ . 1 .]" 1
30 1 22 LEU HA 1 22 LEU MD2 2.950 . 4.100 3.881 3.838 3.924 . 0 0 "[ . 1 .]" 1
31 1 22 LEU HA 1 24 ILE H 3.350 . 4.900 4.207 4.036 4.427 . 0 0 "[ . 1 .]" 1
32 1 22 LEU HA 1 24 ILE HB 3.560 . 5.320 5.317 5.124 5.382 0.062 2 0 "[ . 1 .]" 1
33 1 22 LEU HA 1 25 THR H 2.875 . 3.950 3.263 3.192 3.329 . 0 0 "[ . 1 .]" 1
34 1 22 LEU HB2 1 22 LEU MD1 2.865 . 3.930 2.342 2.292 2.418 . 0 0 "[ . 1 .]" 1
35 1 22 LEU HB2 1 25 THR H 3.650 . 5.500 5.491 5.422 5.543 0.043 8 0 "[ . 1 .]" 1
36 1 22 LEU HB2 1 25 THR MG 2.930 . 4.060 3.768 3.523 4.010 . 0 0 "[ . 1 .]" 1
37 1 22 LEU HB3 1 22 LEU MD1 2.870 . 3.940 3.202 3.192 3.210 . 0 0 "[ . 1 .]" 1
38 1 22 LEU HB3 1 22 LEU MD2 2.820 . 3.840 2.311 2.282 2.395 . 0 0 "[ . 1 .]" 1
39 1 22 LEU HB3 1 23 LEU H 2.525 . 3.250 2.686 2.480 2.975 . 0 0 "[ . 1 .]" 1
40 1 22 LEU HB3 1 23 LEU QD 3.140 . 4.480 3.135 2.415 4.609 0.129 7 0 "[ . 1 .]" 1
41 1 22 LEU HB3 1 25 THR H 3.650 . 5.500 5.462 5.385 5.544 0.044 9 0 "[ . 1 .]" 1
42 1 22 LEU MD1 1 23 LEU H 3.385 . 4.970 4.486 4.345 4.678 . 0 0 "[ . 1 .]" 1
43 1 22 LEU MD1 1 25 THR HB 3.000 . 4.200 4.177 3.920 4.242 0.042 2 0 "[ . 1 .]" 1
44 1 22 LEU HG 1 23 LEU HA 3.030 . 4.260 3.708 3.490 4.027 . 0 0 "[ . 1 .]" 1
45 1 22 LEU HG 1 25 THR H 3.650 . 5.500 5.342 5.206 5.495 . 0 0 "[ . 1 .]" 1
46 1 23 LEU H 1 23 LEU QB 2.535 . 3.270 2.386 2.125 2.494 . 0 0 "[ . 1 .]" 1
47 1 23 LEU H 1 23 LEU MD1 3.110 . 4.420 2.766 1.822 3.855 . 0 0 "[ . 1 .]" 1
48 1 23 LEU H 1 23 LEU QD 2.815 . 3.830 2.438 1.819 3.540 . 0 0 "[ . 1 .]" 1
49 1 23 LEU H 1 23 LEU MD2 3.110 . 4.420 3.614 1.936 4.124 . 0 0 "[ . 1 .]" 1
50 1 23 LEU H 1 23 LEU HG 3.000 . 4.200 3.275 2.227 4.320 0.120 7 0 "[ . 1 .]" 1
51 1 23 LEU H 1 24 ILE QG 3.105 . 4.410 4.169 3.704 4.521 0.111 4 0 "[ . 1 .]" 1
52 1 23 LEU H 1 25 THR MG 3.215 . 4.630 4.356 4.172 4.550 . 0 0 "[ . 1 .]" 1
53 1 23 LEU HA 1 23 LEU QD 2.995 . 4.190 2.414 1.925 2.894 . 0 0 "[ . 1 .]" 1
54 1 23 LEU HA 1 24 ILE MD 3.350 . 4.900 4.902 4.546 4.943 0.043 15 0 "[ . 1 .]" 1
55 1 23 LEU QB 1 24 ILE H 2.915 . 4.030 2.690 2.576 2.914 . 0 0 "[ . 1 .]" 1
56 1 23 LEU QB 1 24 ILE QG 2.850 . 3.900 3.174 3.114 3.319 . 0 0 "[ . 1 .]" 1
57 1 23 LEU QD 1 24 ILE QG 3.085 . 4.370 4.273 3.956 4.415 0.045 10 0 "[ . 1 .]" 1
58 1 24 ILE H 1 24 ILE HB 2.735 . 3.670 2.504 2.436 2.595 . 0 0 "[ . 1 .]" 1
59 1 24 ILE H 1 24 ILE MD 2.985 . 4.170 3.125 1.793 3.295 0.007 4 0 "[ . 1 .]" 1
60 1 24 ILE H 1 24 ILE HG12 3.105 . 4.410 2.393 2.106 3.842 . 0 0 "[ . 1 .]" 1
61 1 24 ILE H 1 24 ILE QG 2.680 . 3.560 2.295 2.092 2.643 . 0 0 "[ . 1 .]" 1
62 1 24 ILE H 1 24 ILE HG13 3.105 . 4.410 3.674 2.693 3.847 . 0 0 "[ . 1 .]" 1
63 1 24 ILE H 1 24 ILE MG 2.840 . 3.880 3.784 3.764 3.804 . 0 0 "[ . 1 .]" 1
64 1 24 ILE H 1 25 THR H 2.965 . 4.130 2.501 2.442 2.589 . 0 0 "[ . 1 .]" 1
65 1 24 ILE H 1 25 THR HA 3.500 . 5.200 5.103 5.052 5.170 . 0 0 "[ . 1 .]" 1
66 1 24 ILE H 1 25 THR MG 3.260 . 4.720 4.181 3.824 4.545 . 0 0 "[ . 1 .]" 1
67 1 24 ILE HA 1 24 ILE MD 2.830 . 3.860 2.090 1.901 3.557 . 0 0 "[ . 1 .]" 1
68 1 24 ILE HA 1 24 ILE QG 2.665 . 3.530 2.935 2.384 3.022 . 0 0 "[ . 1 .]" 1
69 1 24 ILE HA 1 24 ILE MG 2.660 . 3.520 2.425 2.347 2.484 . 0 0 "[ . 1 .]" 1
70 1 24 ILE HA 1 27 HIS H 3.290 . 4.780 3.959 3.592 4.313 . 0 0 "[ . 1 .]" 1
71 1 24 ILE HA 1 27 HIS HB2 3.420 . 5.040 4.160 3.145 4.759 . 0 0 "[ . 1 .]" 1
72 1 24 ILE HB 1 24 ILE MD 2.555 . 3.310 3.172 2.252 3.246 . 0 0 "[ . 1 .]" 1
73 1 24 ILE HB 1 25 THR H 2.800 . 3.800 2.693 2.563 2.775 . 0 0 "[ . 1 .]" 1
74 1 24 ILE HB 1 25 THR HA 3.075 . 4.350 4.198 4.071 4.311 . 0 0 "[ . 1 .]" 1
75 1 24 ILE HB 1 25 THR MG 3.520 . 5.240 4.775 4.535 4.973 . 0 0 "[ . 1 .]" 1
76 1 24 ILE QG 1 24 ILE MG 2.370 . 2.940 2.270 2.117 2.306 . 0 0 "[ . 1 .]" 1
77 1 24 ILE HG12 1 24 ILE MG 2.695 . 3.590 3.143 2.197 3.216 . 0 0 "[ . 1 .]" 1
78 1 24 ILE HG13 1 24 ILE MG 2.695 . 3.590 2.363 2.311 2.768 . 0 0 "[ . 1 .]" 1
79 1 24 ILE MG 1 25 THR H 2.845 . 3.890 3.524 3.368 3.621 . 0 0 "[ . 1 .]" 1
80 1 25 THR H 1 25 THR HB 2.815 . 3.830 2.390 2.305 2.485 . 0 0 "[ . 1 .]" 1
81 1 25 THR H 1 25 THR MG 2.870 . 3.940 2.489 2.227 2.708 . 0 0 "[ . 1 .]" 1
82 1 25 THR H 1 26 ILE H 3.180 . 4.560 2.636 2.566 2.683 . 0 0 "[ . 1 .]" 1
83 1 25 THR H 1 26 ILE QG 3.100 . 4.400 4.012 3.865 4.223 . 0 0 "[ . 1 .]" 1
84 1 25 THR HA 1 25 THR MG 2.715 . 3.630 3.181 3.139 3.203 . 0 0 "[ . 1 .]" 1
85 1 25 THR HA 1 26 ILE HB 3.650 . 5.500 5.534 5.471 5.587 0.087 15 0 "[ . 1 .]" 1
86 1 25 THR HA 1 28 ASP HB2 3.390 . 4.980 3.031 2.312 3.453 . 0 0 "[ . 1 .]" 1
87 1 25 THR HA 1 28 ASP HB3 3.505 . 5.210 4.711 3.394 5.213 0.003 2 0 "[ . 1 .]" 1
88 1 25 THR HB 1 26 ILE H 2.960 . 4.120 4.049 3.833 4.145 0.025 8 0 "[ . 1 .]" 1
89 1 25 THR HB 1 28 ASP H 3.650 . 5.500 5.542 5.493 5.588 0.088 2 0 "[ . 1 .]" 1
90 1 25 THR MG 1 26 ILE H 3.090 . 4.380 2.597 2.391 2.716 . 0 0 "[ . 1 .]" 1
91 1 25 THR MG 1 26 ILE HA 3.115 . 4.430 3.101 3.030 3.185 . 0 0 "[ . 1 .]" 1
92 1 25 THR MG 1 26 ILE HB 3.155 . 4.510 4.455 4.154 4.538 0.028 8 0 "[ . 1 .]" 1
93 1 25 THR MG 1 26 ILE MG 3.175 . 4.550 4.576 4.453 4.624 0.074 12 0 "[ . 1 .]" 1
94 1 25 THR MG 1 29 ARG H 3.030 . 4.260 4.279 3.975 4.358 0.098 4 0 "[ . 1 .]" 1
95 1 25 THR MG 1 29 ARG QD 3.195 . 4.590 3.571 2.674 4.243 . 0 0 "[ . 1 .]" 1
96 1 26 ILE H 1 26 ILE HB 2.705 . 3.610 2.473 2.382 2.534 . 0 0 "[ . 1 .]" 1
97 1 26 ILE H 1 26 ILE MD 2.835 . 3.870 3.561 3.255 3.663 . 0 0 "[ . 1 .]" 1
98 1 26 ILE H 1 26 ILE HG12 2.820 . 3.840 3.344 2.235 3.550 . 0 0 "[ . 1 .]" 1
99 1 26 ILE H 1 26 ILE QG 2.830 . 3.860 2.138 1.991 2.229 . 0 0 "[ . 1 .]" 1
100 1 26 ILE H 1 26 ILE HG13 2.820 . 3.840 2.256 2.008 3.682 . 0 0 "[ . 1 .]" 1
101 1 26 ILE H 1 26 ILE MG 2.950 . 4.100 3.759 3.726 3.783 . 0 0 "[ . 1 .]" 1
102 1 26 ILE H 1 27 HIS H 3.015 . 4.230 2.719 2.670 2.788 . 0 0 "[ . 1 .]" 1
103 1 26 ILE H 1 27 HIS HA 3.600 . 5.400 5.318 5.268 5.405 0.005 14 0 "[ . 1 .]" 1
104 1 26 ILE H 1 27 HIS HB2 3.265 . 4.730 4.737 4.693 4.809 0.079 8 0 "[ . 1 .]" 1
105 1 26 ILE H 1 29 ARG QD 3.425 . 5.050 4.835 4.237 5.181 0.131 8 0 "[ . 1 .]" 1
106 1 26 ILE HA 1 26 ILE MD 3.075 . 4.350 3.706 1.948 3.856 . 0 0 "[ . 1 .]" 1
107 1 26 ILE HA 1 26 ILE HG12 2.845 . 3.890 2.548 2.473 3.037 . 0 0 "[ . 1 .]" 1
108 1 26 ILE HA 1 26 ILE QG 2.605 . 3.410 2.415 2.346 2.907 . 0 0 "[ . 1 .]" 1
109 1 26 ILE HA 1 26 ILE HG13 2.845 . 3.890 2.999 2.853 3.710 . 0 0 "[ . 1 .]" 1
110 1 26 ILE HA 1 26 ILE MG 2.610 . 3.420 2.470 2.409 2.518 . 0 0 "[ . 1 .]" 1
111 1 26 ILE HA 1 28 ASP H 3.305 . 4.810 4.214 3.950 4.483 . 0 0 "[ . 1 .]" 1
112 1 26 ILE HA 1 29 ARG QD 2.815 . 3.830 2.600 1.996 3.301 . 0 0 "[ . 1 .]" 1
113 1 26 ILE HB 1 26 ILE MD 2.575 . 3.350 2.497 2.423 3.241 . 0 0 "[ . 1 .]" 1
114 1 26 ILE HB 1 27 HIS H 3.025 . 4.250 2.748 2.431 2.983 . 0 0 "[ . 1 .]" 1
115 1 26 ILE HB 1 27 HIS HD2 3.645 . 5.490 4.469 2.895 5.543 0.053 12 0 "[ . 1 .]" 1
116 1 26 ILE HB 1 28 ASP H 3.650 . 5.500 5.045 4.696 5.377 . 0 0 "[ . 1 .]" 1
117 1 26 ILE QG 1 26 ILE MG 2.355 . 2.910 2.327 2.282 2.352 . 0 0 "[ . 1 .]" 1
118 1 26 ILE QG 1 27 HIS H 3.505 . 5.210 4.107 3.913 4.188 . 0 0 "[ . 1 .]" 1
119 1 26 ILE HG12 1 26 ILE MG 2.580 . 3.360 2.448 2.371 3.206 . 0 0 "[ . 1 .]" 1
120 1 26 ILE HG13 1 26 ILE MG 2.580 . 3.360 3.146 2.335 3.217 . 0 0 "[ . 1 .]" 1
121 1 26 ILE MG 1 27 HIS H 3.065 . 4.330 3.422 3.306 3.583 . 0 0 "[ . 1 .]" 1
122 1 26 ILE MG 1 27 HIS HB2 3.385 . 4.970 4.723 4.194 5.038 0.068 6 0 "[ . 1 .]" 1
123 1 26 ILE MG 1 27 HIS HD2 3.110 . 4.420 4.038 3.249 4.505 0.085 9 0 "[ . 1 .]" 1
124 1 26 ILE MG 1 28 ASP H 3.425 . 5.050 4.867 4.720 5.066 0.016 6 0 "[ . 1 .]" 1
125 1 26 ILE MG 1 29 ARG QB 2.910 . 4.020 3.609 3.169 4.067 0.047 11 0 "[ . 1 .]" 1
126 1 26 ILE MG 1 29 ARG QD 3.150 . 4.500 3.162 2.194 4.124 . 0 0 "[ . 1 .]" 1
127 1 27 HIS H 1 27 HIS HB2 2.955 . 4.110 2.275 2.228 2.323 . 0 0 "[ . 1 .]" 1
128 1 27 HIS H 1 27 HIS HB3 2.880 . 3.960 3.245 2.697 3.584 . 0 0 "[ . 1 .]" 1
129 1 27 HIS HA 1 27 HIS HD2 2.860 . 3.920 2.821 2.236 3.902 . 0 0 "[ . 1 .]" 1
130 1 27 HIS HB2 1 28 ASP H 3.145 . 4.490 3.206 2.667 3.751 . 0 0 "[ . 1 .]" 1
131 1 27 HIS HB3 1 28 ASP H 2.970 . 4.140 3.251 2.587 3.698 . 0 0 "[ . 1 .]" 1
132 1 27 HIS HB3 1 28 ASP HB2 3.440 . 5.080 4.903 4.364 5.136 0.056 2 0 "[ . 1 .]" 1
133 1 27 HIS HD2 1 28 ASP H 3.650 . 5.500 5.319 4.872 5.592 0.092 10 0 "[ . 1 .]" 1
134 1 28 ASP H 1 28 ASP HB2 2.680 . 3.560 2.408 2.087 2.535 . 0 0 "[ . 1 .]" 1
135 1 28 ASP H 1 28 ASP HB3 2.790 . 3.780 3.636 3.306 3.713 . 0 0 "[ . 1 .]" 1
136 1 28 ASP H 1 29 ARG H 2.815 . 3.830 2.260 2.210 2.337 . 0 0 "[ . 1 .]" 1
137 1 28 ASP HA 1 30 LYS H 3.195 . 4.590 3.959 3.644 4.435 . 0 0 "[ . 1 .]" 1
138 1 28 ASP HB2 1 29 ARG H 3.035 . 4.270 3.376 2.933 3.734 . 0 0 "[ . 1 .]" 1
139 1 28 ASP HB2 1 33 ALA H 3.620 . 5.440 4.816 3.863 5.487 0.047 9 0 "[ . 1 .]" 1
140 1 28 ASP HB2 1 33 ALA MB 3.900 . 6.000 4.614 3.524 5.177 . 0 0 "[ . 1 .]" 1
141 1 28 ASP HB3 1 29 ARG H 3.130 . 4.460 4.020 3.449 4.289 . 0 0 "[ . 1 .]" 1
142 1 28 ASP HB3 1 31 GLU H 3.400 . 5.000 4.611 4.065 4.996 . 0 0 "[ . 1 .]" 1
143 1 28 ASP HB3 1 31 GLU QB 3.215 . 4.630 4.116 3.652 4.661 0.031 14 0 "[ . 1 .]" 1
144 1 28 ASP HB3 1 33 ALA H 3.530 . 5.260 3.990 2.984 4.418 . 0 0 "[ . 1 .]" 1
145 1 29 ARG H 1 29 ARG QB 2.740 . 3.680 2.326 2.168 2.548 . 0 0 "[ . 1 .]" 1
146 1 29 ARG H 1 29 ARG QD 3.050 . 4.300 4.184 3.922 4.387 0.087 7 0 "[ . 1 .]" 1
147 1 29 ARG H 1 30 LYS H 3.225 . 4.650 2.690 2.550 2.964 . 0 0 "[ . 1 .]" 1
148 1 29 ARG H 1 32 PHE H 3.400 . 5.000 5.059 5.015 5.127 0.127 14 0 "[ . 1 .]" 1
149 1 29 ARG HA 1 29 ARG QD 3.470 . 5.140 4.124 3.864 4.560 . 0 0 "[ . 1 .]" 1
150 1 29 ARG HA 1 32 PHE QB 3.635 . 5.470 4.524 3.843 5.009 . 0 0 "[ . 1 .]" 1
151 1 29 ARG QB 1 30 LYS H 2.845 . 3.890 2.996 2.387 3.715 . 0 0 "[ . 1 .]" 1
152 1 29 ARG HB2 1 29 ARG QD 2.970 . 4.140 2.416 2.179 2.878 . 0 0 "[ . 1 .]" 1
153 1 29 ARG QD 1 30 LYS H 3.440 . 5.080 4.602 4.250 4.982 . 0 0 "[ . 1 .]" 1
154 1 29 ARG QD 1 54 GLU HB2 3.350 . 4.900 3.920 2.750 4.785 . 0 0 "[ . 1 .]" 1
155 1 29 ARG QD 1 54 GLU QB 2.975 . 4.150 3.535 2.586 4.249 0.099 9 0 "[ . 1 .]" 1
156 1 29 ARG QD 1 54 GLU HB3 3.350 . 4.900 4.150 2.989 4.970 0.070 2 0 "[ . 1 .]" 1
157 1 30 LYS H 1 30 LYS QG 3.120 . 4.440 3.044 1.797 4.072 0.003 6 0 "[ . 1 .]" 1
158 1 30 LYS H 1 31 GLU H 3.235 . 4.670 2.533 2.421 2.642 . 0 0 "[ . 1 .]" 1
159 1 30 LYS H 1 33 ALA H 3.495 . 5.190 4.896 4.692 5.082 . 0 0 "[ . 1 .]" 1
160 1 30 LYS HA 1 30 LYS QG 2.770 . 3.740 2.666 2.301 3.339 . 0 0 "[ . 1 .]" 1
161 1 30 LYS HA 1 34 LYS H 3.050 . 4.300 4.237 3.832 4.433 0.133 2 0 "[ . 1 .]" 1
162 1 30 LYS QB 1 30 LYS QE 2.775 . 3.750 2.747 1.776 3.786 0.036 8 0 "[ . 1 .]" 1
163 1 30 LYS QB 1 31 GLU H 2.900 . 4.000 3.033 2.587 3.684 . 0 0 "[ . 1 .]" 1
164 1 30 LYS QE 1 33 ALA MB 3.545 . 5.290 5.075 4.213 5.455 0.165 6 0 "[ . 1 .]" 1
165 1 31 GLU H 1 31 GLU HB2 2.820 . 3.840 2.911 2.441 3.729 . 0 0 "[ . 1 .]" 1
166 1 31 GLU H 1 31 GLU HB3 2.820 . 3.840 3.032 2.428 3.779 . 0 0 "[ . 1 .]" 1
167 1 31 GLU H 1 31 GLU QG 3.080 . 4.360 3.063 1.901 4.080 . 0 0 "[ . 1 .]" 1
168 1 31 GLU H 1 32 PHE H 3.085 . 4.370 2.683 2.334 3.005 . 0 0 "[ . 1 .]" 1
169 1 31 GLU H 1 32 PHE QB 3.485 . 5.170 4.527 4.127 4.920 . 0 0 "[ . 1 .]" 1
170 1 31 GLU H 1 33 ALA MB 3.400 . 5.000 4.496 4.171 4.924 . 0 0 "[ . 1 .]" 1
171 1 31 GLU HA 1 31 GLU QG 2.625 . 3.450 2.884 2.408 3.513 0.063 13 0 "[ . 1 .]" 1
172 1 31 GLU QB 1 32 PHE HA 3.095 . 4.390 3.920 3.533 4.241 . 0 0 "[ . 1 .]" 1
173 1 31 GLU QB 1 32 PHE QB 2.920 . 4.040 3.412 2.999 4.061 0.021 5 0 "[ . 1 .]" 1
174 1 31 GLU HB2 1 31 GLU QG 2.235 . 2.670 2.252 2.065 2.352 . 0 0 "[ . 1 .]" 1
175 1 31 GLU HB2 1 32 PHE H 2.830 . 3.860 2.857 1.776 3.641 0.024 2 0 "[ . 1 .]" 1
176 1 31 GLU HB3 1 31 GLU QG 2.235 . 2.670 2.302 2.162 2.432 . 0 0 "[ . 1 .]" 1
177 1 31 GLU HB3 1 32 PHE H 2.830 . 3.860 2.720 1.795 3.888 0.028 5 0 "[ . 1 .]" 1
178 1 31 GLU QG 1 32 PHE H 3.100 . 4.400 2.816 1.739 3.554 0.061 13 0 "[ . 1 .]" 1
179 1 31 GLU QG 1 32 PHE QB 3.070 . 4.340 3.613 2.834 4.534 0.194 15 0 "[ . 1 .]" 1
180 1 31 GLU QG 1 33 ALA H 3.650 . 5.500 4.940 3.839 5.531 0.031 15 0 "[ . 1 .]" 1
181 1 32 PHE H 1 32 PHE QB 2.640 . 3.480 2.258 2.152 2.378 . 0 0 "[ . 1 .]" 1
182 1 32 PHE H 1 32 PHE QD 3.090 . 4.380 4.195 4.132 4.272 . 0 0 "[ . 1 .]" 1
183 1 32 PHE H 1 33 ALA H 2.545 . 3.290 2.561 2.454 2.681 . 0 0 "[ . 1 .]" 1
184 1 32 PHE HA 1 32 PHE QD 3.160 . 4.520 2.337 2.186 2.550 . 0 0 "[ . 1 .]" 1
185 1 32 PHE QB 1 33 ALA H 2.760 . 3.720 2.515 2.339 2.714 . 0 0 "[ . 1 .]" 1
186 1 32 PHE QB 1 33 ALA HA 3.285 . 4.770 4.134 3.992 4.237 . 0 0 "[ . 1 .]" 1
187 1 32 PHE QD 1 33 ALA H 3.175 . 4.550 3.646 3.488 3.782 . 0 0 "[ . 1 .]" 1
188 1 32 PHE QD 1 33 ALA HA 3.255 . 4.710 3.885 3.410 4.094 . 0 0 "[ . 1 .]" 1
189 1 32 PHE QD 1 35 PHE H 3.280 . 4.760 4.739 4.592 4.830 0.070 2 0 "[ . 1 .]" 1
190 1 32 PHE QD 1 35 PHE HB2 2.960 . 4.120 3.601 3.356 4.123 0.003 4 0 "[ . 1 .]" 1
191 1 32 PHE QD 1 35 PHE HB3 3.260 . 4.720 4.580 3.687 4.780 0.060 1 0 "[ . 1 .]" 1
192 1 32 PHE QD 1 36 GLU H 3.280 . 4.760 4.781 4.630 4.868 0.108 7 0 "[ . 1 .]" 1
193 1 32 PHE QD 1 36 GLU QB 3.490 . 5.180 4.898 4.286 5.234 0.054 12 0 "[ . 1 .]" 1
194 1 32 PHE QE 1 33 ALA HA 3.245 . 4.690 4.666 4.552 4.720 0.030 11 0 "[ . 1 .]" 1
195 1 32 PHE QE 1 33 ALA MB 3.575 . 5.350 5.110 4.867 5.364 0.014 7 0 "[ . 1 .]" 1
196 1 32 PHE QE 1 36 GLU QB 3.095 . 4.390 4.082 3.440 4.398 0.008 5 0 "[ . 1 .]" 1
197 1 32 PHE QE 1 36 GLU HG2 3.390 . 4.980 4.851 4.379 5.038 0.058 12 0 "[ . 1 .]" 1
198 1 33 ALA H 1 33 ALA MB 2.435 . 3.070 2.251 2.226 2.279 . 0 0 "[ . 1 .]" 1
199 1 33 ALA H 1 34 LYS H 2.615 . 3.430 2.743 2.594 2.853 . 0 0 "[ . 1 .]" 1
200 1 33 ALA H 1 34 LYS QB 3.335 . 4.870 4.537 4.326 4.877 0.007 8 0 "[ . 1 .]" 1
201 1 33 ALA HA 1 36 GLU QB 3.080 . 4.360 3.903 3.312 4.361 0.001 11 0 "[ . 1 .]" 1
202 1 33 ALA HA 1 37 GLU H 3.045 . 4.290 3.984 3.707 4.168 . 0 0 "[ . 1 .]" 1
203 1 33 ALA MB 1 34 LYS H 2.595 . 3.390 2.651 2.454 2.761 . 0 0 "[ . 1 .]" 1
204 1 33 ALA MB 1 34 LYS HA 2.785 . 3.770 3.800 3.707 3.836 0.066 4 0 "[ . 1 .]" 1
205 1 33 ALA MB 1 34 LYS QB 3.070 . 4.340 4.062 3.795 4.456 0.116 3 0 "[ . 1 .]" 1
206 1 33 ALA MB 1 34 LYS QE 3.285 . 4.770 4.164 2.625 4.787 0.017 14 0 "[ . 1 .]" 1
207 1 33 ALA MB 1 35 PHE H 3.145 . 4.490 4.366 4.311 4.476 . 0 0 "[ . 1 .]" 1
208 1 33 ALA MB 1 37 GLU H 3.305 . 4.810 4.273 4.057 4.514 . 0 0 "[ . 1 .]" 1
209 1 33 ALA MB 1 37 GLU QG 2.905 . 4.010 2.817 2.440 3.281 . 0 0 "[ . 1 .]" 1
210 1 34 LYS H 1 34 LYS QB 2.595 . 3.390 2.286 2.171 2.522 . 0 0 "[ . 1 .]" 1
211 1 34 LYS H 1 34 LYS QD 3.205 . 4.610 4.355 3.896 4.604 . 0 0 "[ . 1 .]" 1
212 1 34 LYS H 1 34 LYS QE 3.100 . 4.400 3.772 2.781 4.401 0.001 15 0 "[ . 1 .]" 1
213 1 34 LYS H 1 34 LYS QG 2.935 . 4.070 3.696 2.125 4.091 0.021 5 0 "[ . 1 .]" 1
214 1 34 LYS H 1 35 PHE H 2.470 . 3.140 2.733 2.631 2.840 . 0 0 "[ . 1 .]" 1
215 1 34 LYS H 1 37 GLU H 3.285 . 4.770 4.706 4.578 4.821 0.051 13 0 "[ . 1 .]" 1
216 1 34 LYS H 1 37 GLU QG 3.330 . 4.860 4.439 4.008 4.877 0.017 2 0 "[ . 1 .]" 1
217 1 34 LYS HA 1 34 LYS QD 2.665 . 3.530 2.754 2.093 3.365 . 0 0 "[ . 1 .]" 1
218 1 34 LYS HA 1 34 LYS QE 3.135 . 4.470 1.963 1.682 2.668 0.118 8 0 "[ . 1 .]" 1
219 1 34 LYS HA 1 35 PHE HB2 3.650 . 5.500 5.543 5.519 5.563 0.063 2 0 "[ . 1 .]" 1
220 1 34 LYS QB 1 34 LYS QE 3.015 . 4.230 2.634 2.030 3.173 . 0 0 "[ . 1 .]" 1
221 1 34 LYS QB 1 35 PHE H 2.680 . 3.560 2.899 2.671 3.054 . 0 0 "[ . 1 .]" 1
222 1 34 LYS QB 1 36 GLU H 3.650 . 5.500 5.154 4.766 5.308 . 0 0 "[ . 1 .]" 1
223 1 34 LYS QB 1 37 GLU H 3.535 . 5.270 5.004 4.835 5.200 . 0 0 "[ . 1 .]" 1
224 1 34 LYS QE 1 37 GLU H 3.650 . 5.500 4.740 4.261 5.520 0.020 6 0 "[ . 1 .]" 1
225 1 34 LYS QE 1 37 GLU QG 3.175 . 4.550 3.816 3.322 4.550 . 0 0 "[ . 1 .]" 1
226 1 34 LYS QE 1 38 GLU H 3.650 . 5.500 5.161 4.578 5.557 0.057 9 0 "[ . 1 .]" 1
227 1 35 PHE H 1 35 PHE HB2 2.600 . 3.400 2.216 2.124 2.302 . 0 0 "[ . 1 .]" 1
228 1 35 PHE H 1 35 PHE HB3 2.685 . 3.570 3.469 2.617 3.579 0.009 12 0 "[ . 1 .]" 1
229 1 35 PHE H 1 35 PHE QD 3.025 . 4.250 2.765 2.145 4.092 . 0 0 "[ . 1 .]" 1
230 1 35 PHE H 1 36 GLU H 2.785 . 3.770 2.654 2.432 2.822 . 0 0 "[ . 1 .]" 1
231 1 35 PHE H 1 36 GLU HG2 3.280 . 4.760 3.970 3.867 4.132 . 0 0 "[ . 1 .]" 1
232 1 35 PHE H 1 37 GLU QB 3.220 . 4.640 4.483 4.345 4.656 0.016 4 0 "[ . 1 .]" 1
233 1 35 PHE H 1 37 GLU QG 3.535 . 5.270 4.950 4.632 5.267 . 0 0 "[ . 1 .]" 1
234 1 35 PHE HA 1 35 PHE QD 3.245 . 4.690 2.566 1.870 3.085 . 0 0 "[ . 1 .]" 1
235 1 35 PHE HA 1 37 GLU H 3.190 . 4.580 4.209 4.079 4.359 . 0 0 "[ . 1 .]" 1
236 1 35 PHE HA 1 37 GLU QB 3.340 . 4.880 4.896 4.670 5.022 0.142 8 0 "[ . 1 .]" 1
237 1 35 PHE QB 1 36 GLU H 2.925 . 4.050 2.229 2.094 2.400 . 0 0 "[ . 1 .]" 1
238 1 35 PHE HB2 1 36 GLU H 2.755 . 3.710 2.361 2.130 3.374 . 0 0 "[ . 1 .]" 1
239 1 35 PHE HB2 1 36 GLU QB 3.250 . 4.700 4.095 3.873 4.875 0.175 4 0 "[ . 1 .]" 1
240 1 35 PHE HB3 1 36 GLU H 2.645 . 3.490 3.033 2.244 3.149 . 0 0 "[ . 1 .]" 1
241 1 35 PHE HB3 1 36 GLU QB 3.075 . 4.350 4.314 3.396 4.409 0.059 10 0 "[ . 1 .]" 1
242 1 35 PHE HB3 1 36 GLU HG2 3.485 . 5.170 5.123 4.429 5.241 0.071 15 0 "[ . 1 .]" 1
243 1 35 PHE HB3 1 37 GLU H 3.430 . 5.060 5.034 4.612 5.111 0.051 8 0 "[ . 1 .]" 1
244 1 35 PHE QD 1 36 GLU H 3.500 . 5.200 4.065 3.681 4.207 . 0 0 "[ . 1 .]" 1
245 1 35 PHE QD 1 37 GLU H 3.650 . 5.500 5.587 5.495 5.627 0.127 13 0 "[ . 1 .]" 1
246 1 36 GLU H 1 36 GLU QB 2.380 . 2.960 2.470 2.271 2.554 . 0 0 "[ . 1 .]" 1
247 1 36 GLU H 1 36 GLU HG2 2.650 . 3.500 2.161 2.068 2.347 . 0 0 "[ . 1 .]" 1
248 1 36 GLU H 1 37 GLU H 2.350 . 2.900 2.560 2.477 2.655 . 0 0 "[ . 1 .]" 1
249 1 36 GLU HA 1 36 GLU QB 2.400 . 3.000 2.167 2.129 2.179 . 0 0 "[ . 1 .]" 1
250 1 36 GLU HA 1 36 GLU HG2 2.765 . 3.730 3.740 3.704 3.769 0.039 4 0 "[ . 1 .]" 1
251 1 36 GLU HA 1 40 ALA H 2.975 . 4.150 4.093 3.916 4.212 0.062 5 0 "[ . 1 .]" 1
252 1 36 GLU QB 1 36 GLU HG2 2.250 . 2.700 2.324 2.285 2.401 . 0 0 "[ . 1 .]" 1
253 1 36 GLU QB 1 37 GLU H 2.725 . 3.650 3.557 3.493 3.595 . 0 0 "[ . 1 .]" 1
254 1 36 GLU QB 1 40 ALA H 3.090 . 4.380 4.310 4.034 4.437 0.057 4 0 "[ . 1 .]" 1
255 1 36 GLU QG 1 37 GLU H 3.010 . 4.220 2.389 2.262 2.486 . 0 0 "[ . 1 .]" 1
256 1 36 GLU HG2 1 37 GLU H 2.685 . 3.570 2.730 2.579 2.912 . 0 0 "[ . 1 .]" 1
257 1 36 GLU HG2 1 37 GLU HA 3.190 . 4.580 4.560 4.435 4.604 0.024 10 0 "[ . 1 .]" 1
258 1 36 GLU HG2 1 40 ALA MB 3.270 . 4.740 4.782 4.525 4.854 0.114 6 0 "[ . 1 .]" 1
259 1 37 GLU H 1 37 GLU QB 2.360 . 2.920 2.293 2.205 2.363 . 0 0 "[ . 1 .]" 1
260 1 37 GLU H 1 37 GLU QG 2.675 . 3.550 2.633 2.483 2.867 . 0 0 "[ . 1 .]" 1
261 1 37 GLU H 1 40 ALA MB 3.070 . 4.340 4.140 3.925 4.354 0.014 1 0 "[ . 1 .]" 1
262 1 37 GLU H 1 41 ARG H 3.580 . 5.360 5.272 4.701 5.490 0.130 15 0 "[ . 1 .]" 1
263 1 37 GLU HA 1 37 GLU QG 2.670 . 3.540 2.248 2.189 2.314 . 0 0 "[ . 1 .]" 1
264 1 37 GLU HA 1 40 ALA H 2.840 . 3.880 3.188 2.866 3.505 . 0 0 "[ . 1 .]" 1
265 1 37 GLU HA 1 40 ALA MB 2.700 . 3.600 2.119 1.771 2.704 0.029 3 0 "[ . 1 .]" 1
266 1 37 GLU QB 1 38 GLU H 2.560 . 3.320 2.894 2.804 2.990 . 0 0 "[ . 1 .]" 1
267 1 37 GLU QB 1 40 ALA MB 3.185 . 4.570 3.993 3.486 4.586 0.016 1 0 "[ . 1 .]" 1
268 1 37 GLU QG 1 40 ALA MB 2.915 . 4.030 3.380 2.867 3.900 . 0 0 "[ . 1 .]" 1
269 1 38 GLU H 1 38 GLU QB 2.615 . 3.430 2.477 2.451 2.512 . 0 0 "[ . 1 .]" 1
270 1 38 GLU H 1 38 GLU QG 2.585 . 3.370 2.143 2.056 2.226 . 0 0 "[ . 1 .]" 1
271 1 38 GLU H 1 40 ALA H 2.950 . 4.100 3.962 3.823 4.048 . 0 0 "[ . 1 .]" 1
272 1 38 GLU HA 1 38 GLU QG 2.545 . 3.290 2.373 2.317 2.422 . 0 0 "[ . 1 .]" 1
273 1 38 GLU QB 1 39 ARG H 2.810 . 3.820 2.335 2.255 2.428 . 0 0 "[ . 1 .]" 1
274 1 38 GLU QB 1 40 ALA H 3.160 . 4.520 4.501 4.412 4.554 0.034 4 0 "[ . 1 .]" 1
275 1 38 GLU QB 1 42 ALA MB 3.145 . 4.490 4.341 4.240 4.455 . 0 0 "[ . 1 .]" 1
276 1 38 GLU QG 1 39 ARG H 2.985 . 4.170 3.933 3.857 4.002 . 0 0 "[ . 1 .]" 1
277 1 38 GLU QG 1 40 ALA H 3.650 . 5.500 5.530 5.455 5.590 0.090 8 0 "[ . 1 .]" 1
278 1 38 GLU QG 1 42 ALA MB 3.650 . 5.500 5.519 5.174 5.600 0.100 15 0 "[ . 1 .]" 1
279 1 39 ARG H 1 39 ARG QB 2.600 . 3.400 2.298 2.225 2.554 . 0 0 "[ . 1 .]" 1
280 1 39 ARG H 1 39 ARG QD 3.385 . 4.970 4.150 2.963 4.599 . 0 0 "[ . 1 .]" 1
281 1 39 ARG H 1 39 ARG QG 2.995 . 4.190 3.706 2.179 4.095 . 0 0 "[ . 1 .]" 1
282 1 39 ARG H 1 42 ALA H 3.245 . 4.690 4.771 4.698 4.817 0.127 9 0 "[ . 1 .]" 1
283 1 39 ARG HA 1 39 ARG QG 2.680 . 3.560 2.866 2.471 3.098 . 0 0 "[ . 1 .]" 1
284 1 39 ARG QB 1 39 ARG QD 2.475 . 3.150 2.533 2.201 2.833 . 0 0 "[ . 1 .]" 1
285 1 39 ARG QB 1 40 ALA H 2.910 . 4.020 2.562 2.463 2.717 . 0 0 "[ . 1 .]" 1
286 1 39 ARG QD 1 42 ALA H 3.395 . 4.990 4.907 4.637 5.045 0.055 15 0 "[ . 1 .]" 1
287 1 40 ALA H 1 40 ALA MB 2.430 . 3.060 2.245 2.212 2.286 . 0 0 "[ . 1 .]" 1
288 1 40 ALA HA 1 42 ALA H 2.875 . 3.950 3.965 3.918 3.995 0.045 5 0 "[ . 1 .]" 1
289 1 40 ALA MB 1 41 ARG H 2.385 . 2.970 2.406 2.190 2.699 . 0 0 "[ . 1 .]" 1
290 1 40 ALA MB 1 41 ARG QB 2.740 . 3.680 3.486 3.366 3.615 . 0 0 "[ . 1 .]" 1
291 1 41 ARG H 1 41 ARG QB 2.535 . 3.270 2.245 2.198 2.287 . 0 0 "[ . 1 .]" 1
292 1 41 ARG H 1 41 ARG QD 3.250 . 4.700 4.616 4.328 4.718 0.018 7 0 "[ . 1 .]" 1
293 1 41 ARG H 1 41 ARG QG 2.960 . 4.120 3.961 3.919 4.028 . 0 0 "[ . 1 .]" 1
294 1 41 ARG HA 1 41 ARG QD 3.130 . 4.460 4.110 3.995 4.204 . 0 0 "[ . 1 .]" 1
295 1 41 ARG HA 1 41 ARG QG 2.730 . 3.660 2.432 2.354 2.517 . 0 0 "[ . 1 .]" 1
296 1 41 ARG HA 1 42 ALA H 2.605 . 3.410 3.365 3.302 3.413 0.003 8 0 "[ . 1 .]" 1
297 1 41 ARG QB 1 41 ARG QD 2.555 . 3.310 2.275 2.112 2.356 . 0 0 "[ . 1 .]" 1
298 1 41 ARG QB 1 42 ALA H 2.795 . 3.790 3.173 3.077 3.244 . 0 0 "[ . 1 .]" 1
299 1 41 ARG QB 1 42 ALA HA 3.030 . 4.260 4.145 4.006 4.286 0.026 10 0 "[ . 1 .]" 1
300 1 41 ARG QB 1 42 ALA MB 3.060 . 4.320 4.301 4.203 4.418 0.098 1 0 "[ . 1 .]" 1
301 1 41 ARG QD 1 45 ASP HA 3.420 . 5.040 3.802 2.672 4.276 . 0 0 "[ . 1 .]" 1
302 1 41 ARG QD 1 45 ASP QB 3.370 . 4.940 3.490 3.114 4.186 . 0 0 "[ . 1 .]" 1
303 1 41 ARG QD 1 49 ASN QB 3.545 . 5.290 3.993 3.147 4.534 . 0 0 "[ . 1 .]" 1
304 1 41 ARG QD 1 49 ASN QD 3.525 . 5.250 3.676 2.594 5.079 . 0 0 "[ . 1 .]" 1
305 1 41 ARG QG 1 42 ALA H 3.215 . 4.630 4.244 4.070 4.418 . 0 0 "[ . 1 .]" 1
306 1 41 ARG QG 1 42 ALA HA 3.310 . 4.820 4.301 4.024 4.652 . 0 0 "[ . 1 .]" 1
307 1 41 ARG QG 1 45 ASP QB 3.325 . 4.850 2.148 1.810 3.021 . 0 0 "[ . 1 .]" 1
308 1 41 ARG QG 1 46 THR H 3.425 . 5.050 4.910 4.720 5.010 . 0 0 "[ . 1 .]" 1
309 1 41 ARG QG 1 47 ALA H 3.650 . 5.500 5.426 4.792 5.614 0.114 12 0 "[ . 1 .]" 1
310 1 42 ALA H 1 42 ALA MB 2.445 . 3.090 2.228 2.196 2.253 . 0 0 "[ . 1 .]" 1
311 1 42 ALA H 1 45 ASP QB 3.445 . 5.090 5.047 4.900 5.163 0.073 10 0 "[ . 1 .]" 1
312 1 42 ALA HA 1 43 LYS H 2.650 . 3.500 3.489 3.415 3.542 0.042 12 0 "[ . 1 .]" 1
313 1 42 ALA HA 1 43 LYS QB 3.590 . 5.380 5.356 5.050 5.412 0.032 5 0 "[ . 1 .]" 1
314 1 42 ALA HA 1 45 ASP QB 3.270 . 4.740 4.410 3.736 4.754 0.014 12 0 "[ . 1 .]" 1
315 1 42 ALA MB 1 43 LYS H 2.495 . 3.190 2.611 2.300 2.826 . 0 0 "[ . 1 .]" 1
316 1 42 ALA MB 1 43 LYS QB 2.875 . 3.950 3.782 3.389 3.973 0.023 8 0 "[ . 1 .]" 1
317 1 42 ALA MB 1 43 LYS QE 3.215 . 4.630 3.688 2.802 4.722 0.092 2 0 "[ . 1 .]" 1
318 1 42 ALA MB 1 44 TRP HD1 3.425 . 5.050 4.849 4.167 5.169 0.119 2 0 "[ . 1 .]" 1
319 1 43 LYS H 1 43 LYS QB 2.570 . 3.340 2.641 2.403 3.189 . 0 0 "[ . 1 .]" 1
320 1 43 LYS H 1 43 LYS QE 3.280 . 4.760 4.559 3.457 4.850 0.090 5 0 "[ . 1 .]" 1
321 1 43 LYS H 1 43 LYS QG 2.745 . 3.690 2.874 2.085 3.740 0.050 3 0 "[ . 1 .]" 1
322 1 43 LYS H 1 44 TRP H 2.635 . 3.470 1.872 1.815 2.072 . 0 0 "[ . 1 .]" 1
323 1 43 LYS H 1 44 TRP HA 3.200 . 4.600 4.598 4.509 4.703 0.103 1 0 "[ . 1 .]" 1
324 1 43 LYS H 1 44 TRP HB2 3.330 . 4.860 4.191 3.963 4.406 . 0 0 "[ . 1 .]" 1
325 1 43 LYS H 1 45 ASP H 2.815 . 3.830 3.890 3.812 3.959 0.129 5 0 "[ . 1 .]" 1
326 1 43 LYS HA 1 43 LYS QG 2.825 . 3.850 2.821 2.333 3.309 . 0 0 "[ . 1 .]" 1
327 1 43 LYS HA 1 44 TRP H 2.665 . 3.530 3.396 3.264 3.499 . 0 0 "[ . 1 .]" 1
328 1 43 LYS HA 1 44 TRP HD1 3.160 . 4.520 4.457 4.134 4.582 0.062 7 0 "[ . 1 .]" 1
329 1 43 LYS HA 1 44 TRP HE1 3.645 . 5.490 5.594 5.542 5.642 0.152 13 0 "[ . 1 .]" 1
330 1 43 LYS QB 1 43 LYS QE 2.875 . 3.950 3.099 1.974 3.840 . 0 0 "[ . 1 .]" 1
331 1 43 LYS QB 1 44 TRP H 2.785 . 3.770 3.095 2.741 3.774 0.004 11 0 "[ . 1 .]" 1
332 1 43 LYS QB 1 44 TRP HE1 3.650 . 5.500 2.847 2.655 3.247 . 0 0 "[ . 1 .]" 1
333 1 43 LYS QG 1 44 TRP H 3.185 . 4.570 4.095 2.519 4.614 0.044 3 0 "[ . 1 .]" 1
334 1 43 LYS QG 1 44 TRP HD1 3.515 . 5.230 3.617 1.711 4.179 0.089 11 0 "[ . 1 .]" 1
335 1 43 LYS QG 1 44 TRP HE1 3.115 . 4.430 4.013 2.744 4.511 0.081 8 0 "[ . 1 .]" 1
336 1 44 TRP H 1 44 TRP HB2 2.595 . 3.390 2.665 2.561 2.816 . 0 0 "[ . 1 .]" 1
337 1 44 TRP H 1 44 TRP QB 2.615 . 3.430 2.613 2.517 2.753 . 0 0 "[ . 1 .]" 1
338 1 44 TRP H 1 44 TRP HB3 2.930 . 4.060 3.768 3.707 3.878 . 0 0 "[ . 1 .]" 1
339 1 44 TRP H 1 44 TRP HD1 3.150 . 4.500 2.736 2.523 2.930 . 0 0 "[ . 1 .]" 1
340 1 44 TRP H 1 45 ASP H 2.835 . 3.870 2.633 2.262 2.955 . 0 0 "[ . 1 .]" 1
341 1 44 TRP H 1 45 ASP QB 3.170 . 4.540 4.329 3.858 4.573 0.033 15 0 "[ . 1 .]" 1
342 1 44 TRP HA 1 44 TRP HD1 3.050 . 4.300 3.945 3.668 4.053 . 0 0 "[ . 1 .]" 1
343 1 44 TRP HA 1 44 TRP HE3 2.710 . 3.620 3.543 3.409 3.692 0.072 2 0 "[ . 1 .]" 1
344 1 44 TRP HA 1 45 ASP H 2.435 . 3.070 2.746 2.540 2.944 . 0 0 "[ . 1 .]" 1
345 1 44 TRP HA 1 46 THR H 2.665 . 3.530 3.437 3.034 3.598 0.068 3 0 "[ . 1 .]" 1
346 1 44 TRP HA 1 47 ALA H 2.675 . 3.550 3.342 3.074 3.535 . 0 0 "[ . 1 .]" 1
347 1 44 TRP QB 1 45 ASP H 2.850 . 3.900 3.818 3.670 3.869 . 0 0 "[ . 1 .]" 1
348 1 44 TRP HB2 1 44 TRP HE1 3.390 . 4.980 4.798 4.772 4.871 . 0 0 "[ . 1 .]" 1
349 1 44 TRP HB2 1 45 ASP H 3.080 . 4.360 4.181 3.950 4.353 . 0 0 "[ . 1 .]" 1
350 1 44 TRP HB2 1 48 ASN HD21 3.075 . 4.350 2.699 2.237 3.242 . 0 0 "[ . 1 .]" 1
351 1 44 TRP HB3 1 45 ASP H 3.235 . 4.670 4.419 4.332 4.467 . 0 0 "[ . 1 .]" 1
352 1 44 TRP HB3 1 46 THR MG 3.195 . 4.590 4.429 4.129 4.759 0.169 10 0 "[ . 1 .]" 1
353 1 44 TRP HB3 1 48 ASN HD21 3.325 . 4.850 3.169 2.830 3.602 . 0 0 "[ . 1 .]" 1
354 1 44 TRP HD1 1 45 ASP H 3.550 . 5.300 5.132 4.794 5.291 . 0 0 "[ . 1 .]" 1
355 1 44 TRP HE3 1 46 THR MG 3.305 . 4.810 4.298 3.900 4.805 . 0 0 "[ . 1 .]" 1
356 1 45 ASP H 1 45 ASP HB2 2.745 . 3.690 3.333 2.434 3.668 . 0 0 "[ . 1 .]" 1
357 1 45 ASP H 1 45 ASP QB 2.415 . 3.030 2.432 2.207 2.568 . 0 0 "[ . 1 .]" 1
358 1 45 ASP H 1 45 ASP HB3 2.745 . 3.690 2.542 2.438 2.623 . 0 0 "[ . 1 .]" 1
359 1 45 ASP H 1 46 THR H 2.855 . 3.910 2.790 2.575 2.964 . 0 0 "[ . 1 .]" 1
360 1 45 ASP H 1 47 ALA MB 3.380 . 4.960 4.813 4.652 5.020 0.060 10 0 "[ . 1 .]" 1
361 1 45 ASP H 1 48 ASN HD21 3.375 . 4.950 4.489 4.256 4.705 . 0 0 "[ . 1 .]" 1
362 1 45 ASP HA 1 49 ASN H 2.865 . 3.930 3.709 3.484 3.983 0.053 6 0 "[ . 1 .]" 1
363 1 45 ASP QB 1 46 THR H 2.655 . 3.510 3.164 2.377 3.524 0.014 5 0 "[ . 1 .]" 1
364 1 45 ASP HB2 1 46 THR H 2.935 . 4.070 3.783 3.544 4.016 . 0 0 "[ . 1 .]" 1
365 1 45 ASP HB3 1 46 THR H 2.935 . 4.070 3.551 2.404 4.045 . 0 0 "[ . 1 .]" 1
366 1 46 THR H 1 46 THR MG 2.785 . 3.770 2.226 1.935 3.640 . 0 0 "[ . 1 .]" 1
367 1 46 THR H 1 47 ALA H 2.750 . 3.700 2.535 2.443 2.645 . 0 0 "[ . 1 .]" 1
368 1 46 THR H 1 47 ALA MB 3.210 . 4.620 4.190 4.086 4.290 . 0 0 "[ . 1 .]" 1
369 1 46 THR HA 1 46 THR MG 2.570 . 3.340 3.179 2.524 3.234 . 0 0 "[ . 1 .]" 1
370 1 46 THR HA 1 49 ASN H 3.245 . 4.690 3.997 3.550 4.369 . 0 0 "[ . 1 .]" 1
371 1 46 THR MG 1 47 ALA H 3.140 . 4.480 2.660 2.569 3.294 . 0 0 "[ . 1 .]" 1
372 1 47 ALA H 1 47 ALA MB 2.475 . 3.150 2.300 2.258 2.333 . 0 0 "[ . 1 .]" 1
373 1 47 ALA H 1 48 ASN QB 3.270 . 4.740 4.482 4.300 4.631 . 0 0 "[ . 1 .]" 1
374 1 47 ALA H 1 48 ASN HD21 3.420 . 5.040 3.716 3.464 4.010 . 0 0 "[ . 1 .]" 1
375 1 47 ALA H 1 49 ASN QB 3.505 . 5.210 5.035 4.680 5.262 0.052 1 0 "[ . 1 .]" 1
376 1 47 ALA MB 1 48 ASN H 2.755 . 3.710 2.671 2.220 3.014 . 0 0 "[ . 1 .]" 1
377 1 47 ALA MB 1 48 ASN QB 3.145 . 4.490 4.185 4.025 4.302 . 0 0 "[ . 1 .]" 1
378 1 47 ALA MB 1 48 ASN HD22 3.545 . 5.290 3.317 2.951 3.717 . 0 0 "[ . 1 .]" 1
379 1 48 ASN H 1 48 ASN QB 2.755 . 3.710 2.501 2.426 2.605 . 0 0 "[ . 1 .]" 1
380 1 48 ASN H 1 48 ASN HD21 3.380 . 4.960 2.381 2.161 2.723 . 0 0 "[ . 1 .]" 1
381 1 48 ASN H 1 49 ASN HB2 3.465 . 5.130 4.337 3.871 4.628 . 0 0 "[ . 1 .]" 1
382 1 48 ASN H 1 49 ASN QB 3.300 . 4.800 4.219 3.793 4.490 . 0 0 "[ . 1 .]" 1
383 1 48 ASN HA 1 48 ASN HD21 2.980 . 4.160 3.850 3.713 4.000 . 0 0 "[ . 1 .]" 1
384 1 48 ASN HA 1 48 ASN HD22 3.200 . 4.600 4.348 4.252 4.472 . 0 0 "[ . 1 .]" 1
385 1 48 ASN QB 1 49 ASN H 3.650 . 5.500 2.692 2.627 2.796 . 0 0 "[ . 1 .]" 1
386 1 48 ASN HD21 1 49 ASN QB 3.570 . 5.340 5.434 5.377 5.500 0.160 10 0 "[ . 1 .]" 1
387 1 49 ASN H 1 49 ASN HB2 2.775 . 3.750 2.320 2.149 2.440 . 0 0 "[ . 1 .]" 1
388 1 49 ASN H 1 49 ASN HB3 2.775 . 3.750 3.570 3.497 3.639 . 0 0 "[ . 1 .]" 1
389 1 49 ASN H 1 49 ASN QD 3.260 . 4.720 4.247 3.843 4.511 . 0 0 "[ . 1 .]" 1
390 1 49 ASN H 1 50 PRO QD 3.275 . 4.750 4.336 4.252 4.394 . 0 0 "[ . 1 .]" 1
391 1 49 ASN HA 1 49 ASN HD22 3.395 . 4.990 3.596 3.152 3.788 . 0 0 "[ . 1 .]" 1
392 1 49 ASN QB 1 50 PRO QD 3.185 . 4.570 2.251 2.007 2.592 . 0 0 "[ . 1 .]" 1
393 1 49 ASN QB 1 52 PTR H 3.075 . 4.350 2.985 2.622 3.215 . 0 0 "[ . 1 .]" 1
394 1 49 ASN HB2 1 51 LEU H 3.400 . 5.000 5.082 5.023 5.143 0.143 10 0 "[ . 1 .]" 1
395 1 49 ASN HB2 1 52 PTR H 3.415 . 5.030 4.264 3.973 4.483 . 0 0 "[ . 1 .]" 1
396 1 49 ASN HB3 1 51 LEU H 3.150 . 4.500 3.755 3.507 3.864 . 0 0 "[ . 1 .]" 1
397 1 49 ASN HB3 1 52 PTR H 3.415 . 5.030 3.051 2.655 3.318 . 0 0 "[ . 1 .]" 1
398 1 49 ASN QD 1 51 LEU H 3.355 . 4.910 4.986 4.913 5.050 0.140 14 0 "[ . 1 .]" 1
399 1 50 PRO HA 1 51 LEU HB3 3.615 . 5.430 5.556 5.535 5.574 0.144 4 0 "[ . 1 .]" 1
400 1 50 PRO HB2 1 51 LEU H 2.805 . 3.810 2.282 2.008 2.583 . 0 0 "[ . 1 .]" 1
401 1 50 PRO HB2 1 51 LEU HB3 3.085 . 4.370 3.745 3.615 3.995 . 0 0 "[ . 1 .]" 1
402 1 50 PRO HB3 1 51 LEU H 3.110 . 4.420 3.549 3.423 3.706 . 0 0 "[ . 1 .]" 1
403 1 50 PRO QD 1 51 LEU H 3.210 . 4.620 3.123 2.915 3.387 . 0 0 "[ . 1 .]" 1
404 1 50 PRO QD 1 52 PTR H 3.340 . 4.880 3.648 3.387 3.868 . 0 0 "[ . 1 .]" 1
405 1 50 PRO HD2 1 51 LEU H 3.570 . 5.340 3.244 3.004 3.562 . 0 0 "[ . 1 .]" 1
406 1 50 PRO HD3 1 51 LEU H 3.570 . 5.340 4.081 3.938 4.237 . 0 0 "[ . 1 .]" 1
407 1 50 PRO HG2 1 51 LEU H 2.975 . 4.150 1.775 1.732 1.893 0.068 1 0 "[ . 1 .]" 1
408 1 50 PRO HG2 1 51 LEU HB2 3.190 . 4.580 4.091 3.653 4.460 . 0 0 "[ . 1 .]" 1
409 1 50 PRO HG3 1 52 PTR H 3.305 . 4.810 4.898 4.845 4.977 0.167 1 0 "[ . 1 .]" 1
410 1 51 LEU H 1 51 LEU HB2 2.650 . 3.500 2.878 2.793 2.968 . 0 0 "[ . 1 .]" 1
411 1 51 LEU H 1 51 LEU QB 2.515 . 3.230 2.208 2.118 2.274 . 0 0 "[ . 1 .]" 1
412 1 51 LEU H 1 51 LEU HB3 2.485 . 3.170 2.294 2.194 2.369 . 0 0 "[ . 1 .]" 1
413 1 51 LEU H 1 51 LEU QD 3.215 . 4.630 3.807 3.743 3.863 . 0 0 "[ . 1 .]" 1
414 1 51 LEU H 1 51 LEU HG 3.265 . 4.730 4.295 4.223 4.384 . 0 0 "[ . 1 .]" 1
415 1 51 LEU H 1 52 PTR H 2.625 . 3.450 2.207 2.029 2.279 . 0 0 "[ . 1 .]" 1
416 1 51 LEU H 1 52 PTR HA 3.400 . 5.000 4.747 4.581 4.889 . 0 0 "[ . 1 .]" 1
417 1 51 LEU H 1 52 PTR HB2 3.650 . 5.500 5.050 4.835 5.305 . 0 0 "[ . 1 .]" 1
418 1 51 LEU H 1 52 PTR HB3 3.400 . 5.000 4.948 4.738 5.104 0.104 11 0 "[ . 1 .]" 1
419 1 51 LEU H 1 53 LYS H 2.975 . 4.150 4.066 3.767 4.227 0.077 1 0 "[ . 1 .]" 1
420 1 51 LEU HA 1 51 LEU QD 3.070 . 4.340 2.198 2.125 2.286 . 0 0 "[ . 1 .]" 1
421 1 51 LEU HA 1 52 PTR HB3 3.650 . 5.500 5.463 5.255 5.561 0.061 3 0 "[ . 1 .]" 1
422 1 51 LEU HB2 1 52 PTR H 3.030 . 4.260 3.956 3.810 4.043 . 0 0 "[ . 1 .]" 1
423 1 51 LEU HB3 1 52 PTR H 2.730 . 3.660 2.625 2.472 2.733 . 0 0 "[ . 1 .]" 1
424 1 51 LEU HB3 1 52 PTR HB2 3.455 . 5.110 3.959 3.669 4.234 . 0 0 "[ . 1 .]" 1
425 1 51 LEU HB3 1 52 PTR HB3 3.210 . 4.620 4.053 3.670 4.247 . 0 0 "[ . 1 .]" 1
426 1 51 LEU QD 1 52 PTR H 3.315 . 4.830 3.835 3.712 3.913 . 0 0 "[ . 1 .]" 1
427 1 51 LEU QD 1 52 PTR HB3 3.180 . 4.560 3.918 3.486 4.128 . 0 0 "[ . 1 .]" 1
428 1 51 LEU HG 1 52 PTR H 3.100 . 4.400 3.603 3.443 3.696 . 0 0 "[ . 1 .]" 1
429 1 51 LEU HG 1 52 PTR HB3 2.680 . 3.560 3.522 3.209 3.641 0.081 14 0 "[ . 1 .]" 1
430 1 52 PTR H 1 52 PTR HB2 2.585 . 3.370 3.259 3.146 3.408 0.038 2 0 "[ . 1 .]" 1
431 1 52 PTR H 1 52 PTR HB2 2.600 . 3.400 2.726 2.636 2.866 . 0 0 "[ . 1 .]" 1
432 1 52 PTR H 1 52 PTR HB3 2.505 . 3.210 2.934 2.745 3.218 0.008 11 0 "[ . 1 .]" 1
433 1 52 PTR H 1 52 PTR HD1 3.165 . 4.530 4.670 4.575 4.800 0.270 6 0 "[ . 1 .]" 1
434 1 52 PTR HA 1 52 PTR HD1 3.150 . 4.500 3.910 2.632 4.512 0.012 9 0 "[ . 1 .]" 1
435 1 52 PTR HB2 1 53 LYS H 2.785 . 3.770 1.881 1.773 2.008 0.027 7 0 "[ . 1 .]" 1
436 1 52 PTR HB2 1 53 LYS H 2.905 . 4.010 3.273 3.043 3.499 . 0 0 "[ . 1 .]" 1
437 1 52 PTR HB2 1 53 LYS QB 3.015 . 4.230 4.475 4.386 4.526 0.296 6 0 "[ . 1 .]" 1
438 1 52 PTR HB2 1 53 LYS QD 3.595 . 5.390 5.364 4.595 5.569 0.179 9 0 "[ . 1 .]" 1
439 1 52 PTR HB2 1 56 THR MG 3.185 . 4.570 2.960 2.471 4.198 . 0 0 "[ . 1 .]" 1
440 1 52 PTR HB3 1 53 LYS H 2.735 . 3.670 1.894 1.781 2.037 0.019 7 0 "[ . 1 .]" 1
441 1 52 PTR HB3 1 56 THR HB 3.650 . 5.500 3.576 2.381 4.688 . 0 0 "[ . 1 .]" 1
442 1 52 PTR HD1 1 53 LYS H 3.135 . 4.470 3.086 2.733 3.902 . 0 0 "[ . 1 .]" 1
443 1 52 PTR HD1 1 56 THR HA 3.650 . 5.500 5.074 3.922 5.612 0.112 5 0 "[ . 1 .]" 1
444 1 53 LYS H 1 53 LYS HB2 2.860 . 3.920 2.277 1.956 2.438 . 0 0 "[ . 1 .]" 1
445 1 53 LYS H 1 53 LYS QB 2.480 . 3.160 2.242 1.945 2.406 . 0 0 "[ . 1 .]" 1
446 1 53 LYS H 1 53 LYS HB3 2.860 . 3.920 3.451 2.672 3.717 . 0 0 "[ . 1 .]" 1
447 1 53 LYS H 1 53 LYS QD 2.905 . 4.010 3.866 3.355 4.128 0.118 5 0 "[ . 1 .]" 1
448 1 53 LYS H 1 53 LYS QG 2.750 . 3.700 3.374 2.812 3.939 0.239 13 0 "[ . 1 .]" 1
449 1 53 LYS H 1 54 GLU H 3.125 . 4.450 4.222 4.074 4.357 . 0 0 "[ . 1 .]" 1
450 1 53 LYS H 1 55 ALA H 3.500 . 5.200 4.922 4.254 5.229 0.029 3 0 "[ . 1 .]" 1
451 1 53 LYS H 1 56 THR HB 3.145 . 4.490 3.274 1.739 4.202 0.061 8 0 "[ . 1 .]" 1
452 1 53 LYS HA 1 53 LYS QD 2.605 . 3.410 2.267 1.779 3.656 0.246 5 0 "[ . 1 .]" 1
453 1 53 LYS HA 1 53 LYS QG 2.860 . 3.920 2.668 1.910 3.036 . 0 0 "[ . 1 .]" 1
454 1 53 LYS HA 1 54 GLU H 2.400 . 3.000 2.516 2.271 2.704 . 0 0 "[ . 1 .]" 1
455 1 53 LYS HA 1 54 GLU QB 3.250 . 4.700 4.490 4.230 4.713 0.013 2 0 "[ . 1 .]" 1
456 1 53 LYS QB 1 54 GLU H 2.365 . 2.930 2.192 1.954 2.398 . 0 0 "[ . 1 .]" 1
457 1 53 LYS QB 1 55 ALA H 3.235 . 4.670 2.487 1.810 2.855 . 0 0 "[ . 1 .]" 1
458 1 53 LYS QB 1 56 THR HB 3.045 . 4.290 3.637 1.905 4.136 . 0 0 "[ . 1 .]" 1
459 1 53 LYS HB2 1 54 GLU H 2.625 . 3.450 3.523 3.306 3.644 0.194 15 0 "[ . 1 .]" 1
460 1 53 LYS HB3 1 54 GLU H 2.625 . 3.450 2.215 1.969 2.436 . 0 0 "[ . 1 .]" 1
461 1 53 LYS QD 1 53 LYS QG 2.285 . 2.770 2.028 1.949 2.094 . 0 0 "[ . 1 .]" 1
462 1 54 GLU H 1 54 GLU HB2 2.800 . 3.800 3.393 2.516 3.688 . 0 0 "[ . 1 .]" 1
463 1 54 GLU H 1 54 GLU QB 2.530 . 3.260 2.560 2.205 2.819 . 0 0 "[ . 1 .]" 1
464 1 54 GLU H 1 54 GLU HB3 2.800 . 3.800 2.673 2.304 2.935 . 0 0 "[ . 1 .]" 1
465 1 54 GLU H 1 54 GLU QG 2.915 . 4.030 2.888 1.901 4.047 0.017 13 0 "[ . 1 .]" 1
466 1 54 GLU H 1 56 THR H 2.970 . 4.140 4.040 3.785 4.314 0.174 4 0 "[ . 1 .]" 1
467 1 54 GLU HA 1 54 GLU QG 2.830 . 3.860 3.249 2.453 3.591 . 0 0 "[ . 1 .]" 1
468 1 54 GLU HA 1 55 ALA MB 3.480 . 5.160 4.855 4.555 5.021 . 0 0 "[ . 1 .]" 1
469 1 54 GLU QB 1 55 ALA H 2.700 . 3.600 3.126 2.295 3.627 0.027 5 0 "[ . 1 .]" 1
470 1 54 GLU QB 1 55 ALA MB 3.285 . 4.770 3.993 3.588 4.753 . 0 0 "[ . 1 .]" 1
471 1 54 GLU HB2 1 55 ALA H 3.100 . 4.400 3.715 3.333 4.056 . 0 0 "[ . 1 .]" 1
472 1 54 GLU HB3 1 55 ALA H 3.100 . 4.400 3.534 2.317 4.088 . 0 0 "[ . 1 .]" 1
473 1 54 GLU QG 1 55 ALA H 3.170 . 4.540 2.461 1.777 3.809 0.023 15 0 "[ . 1 .]" 1
474 1 54 GLU QG 1 55 ALA MB 3.090 . 4.380 3.090 2.511 4.408 0.028 1 0 "[ . 1 .]" 1
475 1 54 GLU QG 1 58 THR MG 3.280 . 4.760 4.538 3.435 4.905 0.145 8 0 "[ . 1 .]" 1
476 1 55 ALA H 1 55 ALA MB 2.505 . 3.210 2.343 2.204 2.610 . 0 0 "[ . 1 .]" 1
477 1 55 ALA H 1 56 THR H 3.000 . 4.200 2.757 2.497 3.245 . 0 0 "[ . 1 .]" 1
478 1 55 ALA HA 1 59 PHE QD 3.645 . 5.490 4.761 3.148 5.576 0.086 9 0 "[ . 1 .]" 1
479 1 55 ALA MB 1 56 THR H 2.805 . 3.810 3.297 2.786 3.695 . 0 0 "[ . 1 .]" 1
480 1 55 ALA MB 1 58 THR H 3.265 . 4.730 3.964 2.857 4.869 0.139 15 0 "[ . 1 .]" 1
481 1 55 ALA MB 1 58 THR MG 3.515 . 5.230 3.168 1.790 5.152 0.010 10 0 "[ . 1 .]" 1
482 1 56 THR H 1 56 THR HB 2.800 . 3.800 2.767 2.398 2.978 . 0 0 "[ . 1 .]" 1
483 1 56 THR H 1 56 THR MG 2.970 . 4.140 3.307 2.162 3.729 . 0 0 "[ . 1 .]" 1
484 1 56 THR H 1 57 SER H 2.720 . 3.640 2.675 2.069 3.133 . 0 0 "[ . 1 .]" 1
485 1 56 THR HA 1 56 THR MG 2.905 . 4.010 2.506 2.173 3.236 . 0 0 "[ . 1 .]" 1
486 1 56 THR HA 1 59 PHE H 2.790 . 3.780 3.500 3.063 3.791 0.011 13 0 "[ . 1 .]" 1
487 1 56 THR HA 1 60 THR H 3.255 . 4.710 4.369 2.778 4.799 0.089 5 0 "[ . 1 .]" 1
488 1 56 THR HB 1 57 SER H 3.040 . 4.280 3.137 2.403 4.203 . 0 0 "[ . 1 .]" 1
489 1 57 SER H 1 57 SER HB2 2.900 . 4.000 2.577 2.280 3.552 . 0 0 "[ . 1 .]" 1
490 1 57 SER H 1 57 SER QB 2.630 . 3.460 2.405 2.150 2.558 . 0 0 "[ . 1 .]" 1
491 1 57 SER H 1 58 THR H 2.585 . 3.370 2.682 2.512 2.951 . 0 0 "[ . 1 .]" 1
492 1 57 SER QB 1 58 THR H 2.900 . 4.000 2.606 2.288 3.097 . 0 0 "[ . 1 .]" 1
493 1 57 SER HB2 1 58 THR H 3.220 . 4.640 3.081 2.315 4.111 . 0 0 "[ . 1 .]" 1
494 1 58 THR H 1 58 THR MG 3.440 . 5.080 2.340 1.929 3.726 . 0 0 "[ . 1 .]" 1
495 1 58 THR HB 1 59 PHE H 3.085 . 4.370 3.868 2.416 4.216 . 0 0 "[ . 1 .]" 1
496 1 59 PHE H 1 59 PHE QB 2.660 . 3.520 2.752 2.326 3.366 . 0 0 "[ . 1 .]" 1
497 1 59 PHE H 1 60 THR H 2.935 . 4.070 3.448 2.044 4.169 0.099 3 0 "[ . 1 .]" 1
498 1 60 THR H 1 60 THR MG 2.975 . 4.150 3.365 1.938 4.027 . 0 0 "[ . 1 .]" 1
499 1 60 THR H 1 61 ASN H 3.220 . 4.640 3.241 1.798 4.546 0.002 9 0 "[ . 1 .]" 1
500 1 61 ASN H 1 61 ASN QB 2.970 . 4.140 2.640 2.278 3.427 . 0 0 "[ . 1 .]" 1
501 1 61 ASN H 1 62 ILE H 2.830 . 3.860 3.039 2.002 3.978 0.118 13 0 "[ . 1 .]" 1
502 1 62 ILE H 1 62 ILE HB 2.730 . 3.660 3.065 2.519 3.743 0.083 3 0 "[ . 1 .]" 1
503 1 62 ILE H 1 62 ILE MD 2.975 . 4.150 3.557 1.771 4.058 0.029 2 0 "[ . 1 .]" 1
504 1 62 ILE H 1 62 ILE HG12 3.055 . 4.310 3.007 1.989 3.955 . 0 0 "[ . 1 .]" 1
505 1 62 ILE H 1 62 ILE QG 2.700 . 3.600 2.449 1.958 3.181 . 0 0 "[ . 1 .]" 1
506 1 62 ILE H 1 62 ILE HG13 3.055 . 4.310 3.095 2.170 4.356 0.046 14 0 "[ . 1 .]" 1
507 1 62 ILE H 1 62 ILE MG 2.905 . 4.010 3.432 2.202 3.896 . 0 0 "[ . 1 .]" 1
508 1 63 THR H 1 63 THR MG 3.010 . 4.220 3.288 2.298 3.992 . 0 0 "[ . 1 .]" 1
509 1 63 THR HB 1 64 PTR H 2.995 . 4.190 3.507 1.793 4.269 0.079 8 0 "[ . 1 .]" 1
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