NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426610 |
2hdl   |
7229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hdl
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 863
_Distance_constraint_stats_list.Viol_count 1571
_Distance_constraint_stats_list.Viol_total 1957.457
_Distance_constraint_stats_list.Viol_max 0.305
_Distance_constraint_stats_list.Viol_rms 0.0233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0623
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 CYS 0.026 0.021 5 0 "[ . 1 . 2]"
1 6 CYS 0.094 0.047 3 0 "[ . 1 . 2]"
1 9 LYS 0.277 0.165 12 0 "[ . 1 . 2]"
1 10 GLY 1.689 0.198 2 0 "[ . 1 . 2]"
1 11 PRO 0.147 0.058 17 0 "[ . 1 . 2]"
1 12 LYS 0.192 0.041 19 0 "[ . 1 . 2]"
1 13 ILE 3.747 0.221 20 0 "[ . 1 . 2]"
1 14 ARG 2.447 0.236 4 0 "[ . 1 . 2]"
1 15 TYR 2.095 0.119 3 0 "[ . 1 . 2]"
1 16 SER 2.764 0.108 2 0 "[ . 1 . 2]"
1 17 ASP 0.794 0.081 13 0 "[ . 1 . 2]"
1 18 VAL 3.337 0.108 10 0 "[ . 1 . 2]"
1 19 LYS 2.497 0.195 3 0 "[ . 1 . 2]"
1 20 LYS 6.614 0.178 4 0 "[ . 1 . 2]"
1 21 LEU 1.778 0.107 9 0 "[ . 1 . 2]"
1 22 GLU 2.764 0.140 11 0 "[ . 1 . 2]"
1 23 MET 1.267 0.108 9 0 "[ . 1 . 2]"
1 24 LYS 0.798 0.150 19 0 "[ . 1 . 2]"
1 25 PRO 1.820 0.089 2 0 "[ . 1 . 2]"
1 26 LYS 3.789 0.203 11 0 "[ . 1 . 2]"
1 27 TYR 5.978 0.194 3 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 HIS 5.356 0.194 3 0 "[ . 1 . 2]"
1 30 CYS 2.273 0.098 5 0 "[ . 1 . 2]"
1 31 GLU 5.806 0.219 11 0 "[ . 1 . 2]"
1 32 GLU 0.412 0.062 18 0 "[ . 1 . 2]"
1 33 LYS 4.455 0.171 19 0 "[ . 1 . 2]"
1 34 MET 5.904 0.200 10 0 "[ . 1 . 2]"
1 35 VAL 1.532 0.141 17 0 "[ . 1 . 2]"
1 36 ILE 3.730 0.140 11 0 "[ . 1 . 2]"
1 37 ILE 2.564 0.181 9 0 "[ . 1 . 2]"
1 38 THR 3.377 0.181 9 0 "[ . 1 . 2]"
1 39 THR 2.371 0.143 17 0 "[ . 1 . 2]"
1 40 LYS 0.079 0.037 5 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.057 0.029 13 0 "[ . 1 . 2]"
1 45 TYR 2.952 0.227 17 0 "[ . 1 . 2]"
1 46 ARG 0.942 0.177 10 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 1.158 0.241 19 0 "[ . 1 . 2]"
1 50 HIS 0.719 0.088 20 0 "[ . 1 . 2]"
1 51 CYS 2.015 0.198 2 0 "[ . 1 . 2]"
1 52 LEU 2.469 0.199 9 0 "[ . 1 . 2]"
1 53 HIS 4.217 0.211 18 0 "[ . 1 . 2]"
1 54 PRO 1.218 0.118 8 0 "[ . 1 . 2]"
1 55 LYS 9.785 0.211 18 0 "[ . 1 . 2]"
1 56 LEU 0.144 0.086 19 0 "[ . 1 . 2]"
1 57 GLN 0.334 0.057 15 0 "[ . 1 . 2]"
1 58 SER 0.318 0.089 12 0 "[ . 1 . 2]"
1 59 THR 1.389 0.137 1 0 "[ . 1 . 2]"
1 60 LYS 4.786 0.220 19 0 "[ . 1 . 2]"
1 61 ARG 5.355 0.153 13 0 "[ . 1 . 2]"
1 62 PHE 7.859 0.236 4 0 "[ . 1 . 2]"
1 63 ILE 5.329 0.176 1 0 "[ . 1 . 2]"
1 64 LYS 5.634 0.176 1 0 "[ . 1 . 2]"
1 65 TRP 3.862 0.136 19 0 "[ . 1 . 2]"
1 66 TYR 5.186 0.145 14 0 "[ . 1 . 2]"
1 67 ASN 0.823 0.159 18 0 "[ . 1 . 2]"
1 68 ALA 0.091 0.026 11 0 "[ . 1 . 2]"
1 69 TRP 2.640 0.116 16 0 "[ . 1 . 2]"
1 70 ASN 0.358 0.049 6 0 "[ . 1 . 2]"
1 71 GLU 0.692 0.096 8 0 "[ . 1 . 2]"
1 72 LYS 2.465 0.305 3 0 "[ . 1 . 2]"
1 73 ARG 1.857 0.142 14 0 "[ . 1 . 2]"
1 74 ARG 0.832 0.154 8 0 "[ . 1 . 2]"
1 75 VAL 2.903 0.238 12 0 "[ . 1 . 2]"
1 76 TYR 2.386 0.290 15 0 "[ . 1 . 2]"
1 77 GLU 0.810 0.158 10 0 "[ . 1 . 2]"
1 78 GLU 0.810 0.158 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS CB 1 30 CYS SG . . 3.100 3.034 2.985 3.105 0.005 5 0 "[ . 1 . 2]" 1
2 1 4 CYS SG 1 30 CYS CB . . 3.100 3.036 2.980 3.121 0.021 5 0 "[ . 1 . 2]" 1
3 1 4 CYS SG 1 30 CYS SG . . 2.100 2.023 2.012 2.035 . 0 0 "[ . 1 . 2]" 1
4 1 6 CYS CB 1 51 CYS SG . . 3.100 3.030 2.990 3.123 0.023 16 0 "[ . 1 . 2]" 1
5 1 6 CYS QB 1 51 CYS QB . . 4.110 3.424 2.334 4.157 0.047 3 0 "[ . 1 . 2]" 1
6 1 6 CYS SG 1 51 CYS CB . . 3.100 3.047 2.997 3.081 . 0 0 "[ . 1 . 2]" 1
7 1 6 CYS SG 1 51 CYS SG . . 2.100 2.032 2.014 2.040 . 0 0 "[ . 1 . 2]" 1
8 1 9 LYS HA 1 9 LYS QD . . 4.600 3.675 1.985 4.300 . 0 0 "[ . 1 . 2]" 1
9 1 9 LYS HA 1 9 LYS QE . . 4.700 4.337 2.234 4.865 0.165 12 0 "[ . 1 . 2]" 1
10 1 9 LYS QB 1 9 LYS QD . . 2.950 2.258 2.064 2.648 . 0 0 "[ . 1 . 2]" 1
11 1 10 GLY QA 1 11 PRO QD . . 2.760 1.976 1.892 2.170 . 0 0 "[ . 1 . 2]" 1
12 1 10 GLY QA 1 51 CYS H . . 4.140 4.179 3.799 4.338 0.198 2 0 "[ . 1 . 2]" 1
13 1 10 GLY HA2 1 11 PRO HD2 . . 3.660 2.668 2.227 3.540 . 0 0 "[ . 1 . 2]" 1
14 1 10 GLY HA2 1 11 PRO HD3 . . 3.660 2.141 1.968 2.678 . 0 0 "[ . 1 . 2]" 1
15 1 10 GLY HA3 1 11 PRO HD2 . . 3.660 3.281 2.442 3.718 0.058 17 0 "[ . 1 . 2]" 1
16 1 10 GLY HA3 1 11 PRO HD3 . . 3.660 3.419 2.581 3.682 0.022 3 0 "[ . 1 . 2]" 1
17 1 11 PRO HA 1 12 LYS H . . 3.200 2.265 2.131 2.401 . 0 0 "[ . 1 . 2]" 1
18 1 11 PRO QB 1 12 LYS H . . 3.950 2.934 2.730 3.144 . 0 0 "[ . 1 . 2]" 1
19 1 11 PRO HB2 1 12 LYS H . . 4.540 3.465 2.815 3.801 . 0 0 "[ . 1 . 2]" 1
20 1 11 PRO HB3 1 12 LYS H . . 4.540 3.225 2.917 3.789 . 0 0 "[ . 1 . 2]" 1
21 1 12 LYS H 1 12 LYS QB . . 3.580 2.399 2.226 2.645 . 0 0 "[ . 1 . 2]" 1
22 1 12 LYS H 1 13 ILE H . . 4.520 4.431 4.170 4.561 0.041 19 0 "[ . 1 . 2]" 1
23 1 12 LYS HA 1 12 LYS QG . . 3.930 2.632 2.338 3.388 . 0 0 "[ . 1 . 2]" 1
24 1 12 LYS QB 1 13 ILE H . . 4.280 3.230 2.380 3.857 . 0 0 "[ . 1 . 2]" 1
25 1 12 LYS QD 1 12 LYS QG . . 2.420 2.066 2.004 2.097 . 0 0 "[ . 1 . 2]" 1
26 1 13 ILE H 1 13 ILE HB . . 3.400 2.646 2.462 2.862 . 0 0 "[ . 1 . 2]" 1
27 1 13 ILE H 1 13 ILE MD . . 4.400 3.761 3.250 4.097 . 0 0 "[ . 1 . 2]" 1
28 1 13 ILE H 1 13 ILE HG12 . . 3.950 3.554 2.201 3.955 0.005 14 0 "[ . 1 . 2]" 1
29 1 13 ILE H 1 13 ILE QG . . 3.430 2.383 1.971 2.767 . 0 0 "[ . 1 . 2]" 1
30 1 13 ILE H 1 13 ILE HG13 . . 3.950 2.491 1.987 3.648 . 0 0 "[ . 1 . 2]" 1
31 1 13 ILE H 1 13 ILE MG . . 4.410 3.827 3.747 3.931 . 0 0 "[ . 1 . 2]" 1
32 1 13 ILE HA 1 13 ILE MD . . 4.090 3.791 2.142 3.920 . 0 0 "[ . 1 . 2]" 1
33 1 13 ILE HA 1 13 ILE HG12 . . 4.090 2.706 2.496 3.182 . 0 0 "[ . 1 . 2]" 1
34 1 13 ILE HA 1 13 ILE QG . . 3.580 2.570 2.399 3.031 . 0 0 "[ . 1 . 2]" 1
35 1 13 ILE HA 1 13 ILE HG13 . . 4.090 3.206 3.032 3.812 . 0 0 "[ . 1 . 2]" 1
36 1 13 ILE HA 1 13 ILE MG . . 3.570 2.310 2.222 2.413 . 0 0 "[ . 1 . 2]" 1
37 1 13 ILE HA 1 14 ARG H . . 3.200 2.229 2.122 2.352 . 0 0 "[ . 1 . 2]" 1
38 1 13 ILE HA 1 62 PHE HZ . . 4.420 4.525 4.449 4.641 0.221 20 0 "[ . 1 . 2]" 1
39 1 13 ILE HB 1 13 ILE MD . . 3.700 2.430 2.352 3.243 . 0 0 "[ . 1 . 2]" 1
40 1 13 ILE HB 1 14 ARG H . . 4.630 3.884 3.680 4.091 . 0 0 "[ . 1 . 2]" 1
41 1 13 ILE HB 1 17 ASP QB . . 4.640 4.594 4.339 4.711 0.071 9 0 "[ . 1 . 2]" 1
42 1 13 ILE HB 1 62 PHE QE . . 4.530 3.207 2.833 3.640 . 0 0 "[ . 1 . 2]" 1
43 1 13 ILE HB 1 62 PHE HZ . . 4.300 2.415 1.956 2.990 . 0 0 "[ . 1 . 2]" 1
44 1 13 ILE MD 1 13 ILE MG . . 3.250 1.915 1.814 1.993 . 0 0 "[ . 1 . 2]" 1
45 1 13 ILE MD 1 17 ASP QB . . 4.450 4.320 3.763 4.531 0.081 13 0 "[ . 1 . 2]" 1
46 1 13 ILE MD 1 18 VAL QG . . 4.210 3.301 2.788 4.227 0.017 4 0 "[ . 1 . 2]" 1
47 1 13 ILE MD 1 37 ILE HB . . 4.340 2.716 2.224 4.352 0.012 4 0 "[ . 1 . 2]" 1
48 1 13 ILE MD 1 37 ILE MG . . 3.520 2.071 1.800 3.373 . 0 0 "[ . 1 . 2]" 1
49 1 13 ILE MD 1 39 THR MG . . 3.820 3.388 1.852 3.963 0.143 17 0 "[ . 1 . 2]" 1
50 1 13 ILE MD 1 50 HIS HB2 . . 4.520 2.432 1.955 3.594 . 0 0 "[ . 1 . 2]" 1
51 1 13 ILE MD 1 50 HIS QB . . 3.960 2.197 1.809 3.129 . 0 0 "[ . 1 . 2]" 1
52 1 13 ILE MD 1 50 HIS HB3 . . 4.520 2.587 2.026 3.713 . 0 0 "[ . 1 . 2]" 1
53 1 13 ILE MD 1 50 HIS HD2 . . 4.550 3.303 2.409 3.927 . 0 0 "[ . 1 . 2]" 1
54 1 13 ILE QG 1 13 ILE MG . . 2.830 2.278 2.247 2.324 . 0 0 "[ . 1 . 2]" 1
55 1 13 ILE HG12 1 13 ILE MG . . 3.530 2.376 2.297 3.203 . 0 0 "[ . 1 . 2]" 1
56 1 13 ILE HG13 1 13 ILE MG . . 3.530 3.145 2.357 3.202 . 0 0 "[ . 1 . 2]" 1
57 1 13 ILE MG 1 14 ARG H . . 4.080 2.388 2.270 2.749 . 0 0 "[ . 1 . 2]" 1
58 1 13 ILE MG 1 17 ASP H . . 4.420 3.552 3.259 3.808 . 0 0 "[ . 1 . 2]" 1
59 1 13 ILE MG 1 17 ASP QB . . 3.740 2.106 1.861 2.229 . 0 0 "[ . 1 . 2]" 1
60 1 13 ILE MG 1 18 VAL H . . 4.590 3.689 3.422 3.887 . 0 0 "[ . 1 . 2]" 1
61 1 13 ILE MG 1 18 VAL QG . . 3.280 2.123 1.992 2.357 . 0 0 "[ . 1 . 2]" 1
62 1 13 ILE MG 1 39 THR MG . . 3.610 2.922 2.149 3.436 . 0 0 "[ . 1 . 2]" 1
63 1 13 ILE MG 1 50 HIS HD2 . . 4.540 4.266 3.689 4.628 0.088 20 0 "[ . 1 . 2]" 1
64 1 13 ILE MG 1 62 PHE QE . . 4.410 3.359 2.882 4.284 . 0 0 "[ . 1 . 2]" 1
65 1 13 ILE MG 1 62 PHE HZ . . 4.050 2.462 1.950 3.466 . 0 0 "[ . 1 . 2]" 1
66 1 14 ARG H 1 14 ARG QB . . 3.370 2.526 2.363 2.755 . 0 0 "[ . 1 . 2]" 1
67 1 14 ARG H 1 17 ASP QB . . 4.420 2.854 2.333 3.539 . 0 0 "[ . 1 . 2]" 1
68 1 14 ARG H 1 18 VAL QG . . 4.580 4.226 4.018 4.486 . 0 0 "[ . 1 . 2]" 1
69 1 14 ARG HA 1 14 ARG QD . . 4.890 3.877 1.995 4.306 . 0 0 "[ . 1 . 2]" 1
70 1 14 ARG HA 1 14 ARG QG . . 3.570 2.686 2.389 3.369 . 0 0 "[ . 1 . 2]" 1
71 1 14 ARG HA 1 15 TYR H . . 3.460 2.407 2.264 2.504 . 0 0 "[ . 1 . 2]" 1
72 1 14 ARG QB 1 14 ARG QD . . 2.770 2.273 2.080 2.736 . 0 0 "[ . 1 . 2]" 1
73 1 14 ARG QB 1 15 TYR H . . 4.420 2.359 2.185 2.575 . 0 0 "[ . 1 . 2]" 1
74 1 14 ARG QB 1 16 SER H . . 3.760 2.616 2.410 2.785 . 0 0 "[ . 1 . 2]" 1
75 1 14 ARG QB 1 17 ASP H . . 3.840 3.167 2.675 3.878 0.038 20 0 "[ . 1 . 2]" 1
76 1 14 ARG QB 1 62 PHE QE . . 4.410 4.513 4.401 4.646 0.236 4 0 "[ . 1 . 2]" 1
77 1 14 ARG HB2 1 14 ARG QD . . 3.350 2.552 2.352 3.309 . 0 0 "[ . 1 . 2]" 1
78 1 14 ARG HB2 1 16 SER H . . 4.290 3.070 2.672 3.380 . 0 0 "[ . 1 . 2]" 1
79 1 14 ARG HB3 1 14 ARG QD . . 3.350 2.663 2.304 3.455 0.105 4 0 "[ . 1 . 2]" 1
80 1 14 ARG HB3 1 16 SER H . . 4.290 3.085 2.548 4.350 0.060 13 0 "[ . 1 . 2]" 1
81 1 15 TYR H 1 15 TYR QD . . 4.250 2.451 2.195 2.651 . 0 0 "[ . 1 . 2]" 1
82 1 15 TYR HA 1 15 TYR QD . . 3.400 2.739 2.608 2.913 . 0 0 "[ . 1 . 2]" 1
83 1 15 TYR HA 1 18 VAL H . . 4.530 3.507 3.326 3.642 . 0 0 "[ . 1 . 2]" 1
84 1 15 TYR HA 1 18 VAL QG . . 3.350 2.428 2.319 2.546 . 0 0 "[ . 1 . 2]" 1
85 1 15 TYR HA 1 66 TYR QB . . 4.360 4.131 3.635 4.425 0.065 20 0 "[ . 1 . 2]" 1
86 1 15 TYR HA 1 66 TYR QD . . 4.280 2.922 2.611 3.287 . 0 0 "[ . 1 . 2]" 1
87 1 15 TYR HA 1 66 TYR QE . . 4.520 4.037 3.664 4.553 0.033 17 0 "[ . 1 . 2]" 1
88 1 15 TYR QB 1 16 SER H . . 3.830 2.774 2.623 2.883 . 0 0 "[ . 1 . 2]" 1
89 1 15 TYR QB 1 18 VAL H . . 4.710 4.704 4.611 4.769 0.059 2 0 "[ . 1 . 2]" 1
90 1 15 TYR QB 1 66 TYR QD . . 3.910 2.541 2.042 3.204 . 0 0 "[ . 1 . 2]" 1
91 1 15 TYR QB 1 66 TYR QE . . 4.560 3.920 3.405 4.575 0.015 10 0 "[ . 1 . 2]" 1
92 1 15 TYR HB2 1 16 SER H . . 4.490 2.835 2.668 2.955 . 0 0 "[ . 1 . 2]" 1
93 1 15 TYR HB3 1 16 SER H . . 4.490 3.941 3.849 4.016 . 0 0 "[ . 1 . 2]" 1
94 1 15 TYR QD 1 62 PHE HA . . 4.600 4.284 4.090 4.605 0.005 4 0 "[ . 1 . 2]" 1
95 1 15 TYR QD 1 62 PHE QD . . 3.970 4.034 3.991 4.089 0.119 3 0 "[ . 1 . 2]" 1
96 1 15 TYR QD 1 65 TRP HH2 . . 4.840 4.737 4.294 4.873 0.033 12 0 "[ . 1 . 2]" 1
97 1 15 TYR QD 1 66 TYR HA . . 4.610 2.827 2.555 3.131 . 0 0 "[ . 1 . 2]" 1
98 1 15 TYR QD 1 66 TYR QD . . 3.990 2.651 2.343 3.073 . 0 0 "[ . 1 . 2]" 1
99 1 15 TYR QD 1 69 TRP QB . . 4.340 3.786 3.479 4.005 . 0 0 "[ . 1 . 2]" 1
100 1 15 TYR QE 1 62 PHE HA . . 4.240 2.022 1.883 2.321 . 0 0 "[ . 1 . 2]" 1
101 1 15 TYR QE 1 62 PHE QD . . 4.560 2.986 2.623 3.238 . 0 0 "[ . 1 . 2]" 1
102 1 15 TYR QE 1 66 TYR HA . . 4.570 4.095 3.853 4.365 . 0 0 "[ . 1 . 2]" 1
103 1 16 SER H 1 16 SER HB2 . . 3.800 2.455 2.376 2.528 . 0 0 "[ . 1 . 2]" 1
104 1 16 SER H 1 16 SER QB . . 3.260 2.411 2.340 2.479 . 0 0 "[ . 1 . 2]" 1
105 1 16 SER H 1 16 SER HB3 . . 3.800 3.523 3.456 3.592 . 0 0 "[ . 1 . 2]" 1
106 1 16 SER HA 1 18 VAL H . . 3.990 3.969 3.807 4.076 0.086 7 0 "[ . 1 . 2]" 1
107 1 16 SER HA 1 69 TRP HH2 . . 3.890 3.936 3.758 3.991 0.101 2 0 "[ . 1 . 2]" 1
108 1 16 SER HA 1 69 TRP HZ2 . . 4.010 2.240 1.967 2.794 . 0 0 "[ . 1 . 2]" 1
109 1 16 SER QB 1 17 ASP H . . 4.390 2.979 2.815 3.121 . 0 0 "[ . 1 . 2]" 1
110 1 16 SER QB 1 18 VAL H . . 4.540 4.596 4.535 4.648 0.108 2 0 "[ . 1 . 2]" 1
111 1 16 SER QB 1 69 TRP HZ2 . . 4.410 3.653 3.343 4.398 . 0 0 "[ . 1 . 2]" 1
112 1 17 ASP H 1 17 ASP QB . . 3.200 2.427 2.345 2.516 . 0 0 "[ . 1 . 2]" 1
113 1 17 ASP H 1 18 VAL H . . 3.130 2.251 2.110 2.342 . 0 0 "[ . 1 . 2]" 1
114 1 17 ASP QB 1 18 VAL H . . 4.010 3.010 2.714 3.331 . 0 0 "[ . 1 . 2]" 1
115 1 17 ASP QB 1 40 LYS H . . 4.460 3.824 3.443 4.262 . 0 0 "[ . 1 . 2]" 1
116 1 18 VAL H 1 18 VAL HB . . 3.230 2.661 2.593 2.744 . 0 0 "[ . 1 . 2]" 1
117 1 18 VAL H 1 18 VAL MG1 . . 3.890 3.819 3.774 3.858 . 0 0 "[ . 1 . 2]" 1
118 1 18 VAL H 1 18 VAL QG . . 3.040 2.114 2.010 2.182 . 0 0 "[ . 1 . 2]" 1
119 1 18 VAL H 1 18 VAL MG2 . . 3.890 2.124 2.018 2.196 . 0 0 "[ . 1 . 2]" 1
120 1 18 VAL H 1 19 LYS H . . 4.740 4.442 4.373 4.571 . 0 0 "[ . 1 . 2]" 1
121 1 18 VAL HA 1 18 VAL MG1 . . 3.520 2.325 2.278 2.358 . 0 0 "[ . 1 . 2]" 1
122 1 18 VAL HA 1 18 VAL MG2 . . 3.520 2.519 2.454 2.568 . 0 0 "[ . 1 . 2]" 1
123 1 18 VAL HA 1 19 LYS H . . 3.100 2.107 2.001 2.187 . 0 0 "[ . 1 . 2]" 1
124 1 18 VAL HA 1 20 LYS H . . 4.150 3.507 3.381 3.704 . 0 0 "[ . 1 . 2]" 1
125 1 18 VAL HA 1 37 ILE MG . . 4.060 2.937 2.561 3.276 . 0 0 "[ . 1 . 2]" 1
126 1 18 VAL HA 1 39 THR HA . . 3.370 2.594 2.324 2.977 . 0 0 "[ . 1 . 2]" 1
127 1 18 VAL HA 1 39 THR MG . . 3.940 3.487 3.077 3.837 . 0 0 "[ . 1 . 2]" 1
128 1 18 VAL HA 1 40 LYS H . . 4.440 3.983 3.470 4.461 0.021 12 0 "[ . 1 . 2]" 1
129 1 18 VAL HB 1 20 LYS H . . 4.360 4.433 4.382 4.468 0.108 10 0 "[ . 1 . 2]" 1
130 1 18 VAL HB 1 66 TYR QE . . 3.850 2.219 1.873 2.499 . 0 0 "[ . 1 . 2]" 1
131 1 18 VAL QG 1 19 LYS H . . 3.560 2.675 2.426 2.824 . 0 0 "[ . 1 . 2]" 1
132 1 18 VAL QG 1 20 LYS H . . 3.360 2.287 2.202 2.393 . 0 0 "[ . 1 . 2]" 1
133 1 18 VAL QG 1 21 LEU H . . 4.500 3.715 3.569 4.022 . 0 0 "[ . 1 . 2]" 1
134 1 18 VAL QG 1 62 PHE QE . . 3.510 2.483 2.123 2.958 . 0 0 "[ . 1 . 2]" 1
135 1 18 VAL QG 1 62 PHE HZ . . 3.670 2.525 2.112 2.811 . 0 0 "[ . 1 . 2]" 1
136 1 18 VAL QG 1 66 TYR QE . . 3.250 2.629 2.229 2.848 . 0 0 "[ . 1 . 2]" 1
137 1 18 VAL MG1 1 19 LYS H . . 4.410 2.709 2.443 2.869 . 0 0 "[ . 1 . 2]" 1
138 1 18 VAL MG1 1 62 PHE QE . . 4.090 3.813 3.601 4.104 0.014 16 0 "[ . 1 . 2]" 1
139 1 18 VAL MG1 1 66 TYR QE . . 3.730 2.710 2.254 2.962 . 0 0 "[ . 1 . 2]" 1
140 1 18 VAL MG2 1 19 LYS H . . 4.410 4.150 4.014 4.222 . 0 0 "[ . 1 . 2]" 1
141 1 18 VAL MG2 1 62 PHE QE . . 4.090 2.522 2.139 3.038 . 0 0 "[ . 1 . 2]" 1
142 1 18 VAL MG2 1 66 TYR QE . . 3.730 3.601 3.455 3.735 0.005 9 0 "[ . 1 . 2]" 1
143 1 19 LYS H 1 19 LYS HB2 . . 3.790 2.477 2.256 2.775 . 0 0 "[ . 1 . 2]" 1
144 1 19 LYS H 1 19 LYS QB . . 3.330 2.348 2.226 2.525 . 0 0 "[ . 1 . 2]" 1
145 1 19 LYS H 1 19 LYS HB3 . . 3.790 3.177 2.541 3.739 . 0 0 "[ . 1 . 2]" 1
146 1 19 LYS H 1 19 LYS QG . . 5.040 3.396 2.507 4.102 . 0 0 "[ . 1 . 2]" 1
147 1 19 LYS H 1 20 LYS H . . 3.120 2.033 1.857 2.253 . 0 0 "[ . 1 . 2]" 1
148 1 19 LYS H 1 38 THR MG . . 5.040 3.918 3.617 4.152 . 0 0 "[ . 1 . 2]" 1
149 1 19 LYS H 1 39 THR HA . . 3.370 2.884 2.560 3.130 . 0 0 "[ . 1 . 2]" 1
150 1 19 LYS H 1 39 THR MG . . 4.470 4.460 4.128 4.572 0.102 12 0 "[ . 1 . 2]" 1
151 1 19 LYS H 1 40 LYS H . . 4.270 3.955 3.608 4.307 0.037 5 0 "[ . 1 . 2]" 1
152 1 19 LYS HA 1 19 LYS QD . . 4.660 3.245 2.007 4.212 . 0 0 "[ . 1 . 2]" 1
153 1 19 LYS QB 1 19 LYS QD . . 3.010 2.562 2.283 2.870 . 0 0 "[ . 1 . 2]" 1
154 1 19 LYS QB 1 19 LYS QE . . 3.220 2.139 1.928 3.366 0.146 3 0 "[ . 1 . 2]" 1
155 1 19 LYS QB 1 20 LYS H . . 3.130 2.693 2.521 2.950 . 0 0 "[ . 1 . 2]" 1
156 1 19 LYS QB 1 38 THR MG . . 3.310 2.822 2.270 3.321 0.011 19 0 "[ . 1 . 2]" 1
157 1 19 LYS QB 1 39 THR HA . . 4.630 3.900 3.191 4.460 . 0 0 "[ . 1 . 2]" 1
158 1 19 LYS HB2 1 19 LYS QD . . 3.540 3.122 2.458 3.554 0.014 17 0 "[ . 1 . 2]" 1
159 1 19 LYS HB2 1 19 LYS QE . . 3.700 3.064 2.041 3.895 0.195 3 0 "[ . 1 . 2]" 1
160 1 19 LYS HB2 1 20 LYS H . . 3.580 3.198 2.620 3.758 0.178 4 0 "[ . 1 . 2]" 1
161 1 19 LYS HB3 1 19 LYS QD . . 3.540 2.825 2.331 3.136 . 0 0 "[ . 1 . 2]" 1
162 1 19 LYS HB3 1 19 LYS QE . . 3.700 2.298 1.940 3.682 . 0 0 "[ . 1 . 2]" 1
163 1 19 LYS HB3 1 20 LYS H . . 3.580 3.226 2.572 3.719 0.139 13 0 "[ . 1 . 2]" 1
164 1 19 LYS QE 1 38 THR MG . . 4.630 3.603 1.992 4.700 0.070 6 0 "[ . 1 . 2]" 1
165 1 19 LYS QG 1 20 LYS H . . 4.720 4.237 3.882 4.732 0.012 19 0 "[ . 1 . 2]" 1
166 1 20 LYS H 1 20 LYS HG2 . . 4.660 4.273 2.889 4.517 . 0 0 "[ . 1 . 2]" 1
167 1 20 LYS H 1 20 LYS QG . . 4.100 3.675 2.667 4.104 0.004 1 0 "[ . 1 . 2]" 1
168 1 20 LYS H 1 20 LYS HG3 . . 4.660 4.121 3.132 4.750 0.090 13 0 "[ . 1 . 2]" 1
169 1 20 LYS H 1 38 THR H . . 3.680 3.273 2.978 3.494 . 0 0 "[ . 1 . 2]" 1
170 1 20 LYS H 1 38 THR HB . . 3.440 2.688 2.238 3.000 . 0 0 "[ . 1 . 2]" 1
171 1 20 LYS H 1 38 THR MG . . 3.890 3.868 3.440 3.948 0.058 2 0 "[ . 1 . 2]" 1
172 1 20 LYS H 1 66 TYR QE . . 4.420 4.504 4.469 4.554 0.134 3 0 "[ . 1 . 2]" 1
173 1 20 LYS HA 1 21 LEU H . . 3.290 2.180 2.106 2.265 . 0 0 "[ . 1 . 2]" 1
174 1 20 LYS HA 1 66 TYR QE . . 4.010 3.493 3.029 4.096 0.086 4 0 "[ . 1 . 2]" 1
175 1 20 LYS QB 1 20 LYS QE . . 3.930 2.732 1.817 3.602 . 0 0 "[ . 1 . 2]" 1
176 1 20 LYS QB 1 20 LYS QG . . 2.320 2.069 2.041 2.087 . 0 0 "[ . 1 . 2]" 1
177 1 20 LYS QB 1 21 LEU H . . 3.590 3.145 2.528 3.604 0.014 13 0 "[ . 1 . 2]" 1
178 1 20 LYS QB 1 38 THR H . . 4.690 3.692 2.996 4.813 0.123 8 0 "[ . 1 . 2]" 1
179 1 20 LYS QB 1 38 THR HB . . 3.970 2.191 1.852 3.705 . 0 0 "[ . 1 . 2]" 1
180 1 20 LYS QB 1 38 THR MG . . 3.850 3.080 2.628 4.022 0.172 8 0 "[ . 1 . 2]" 1
181 1 20 LYS HB2 1 21 LEU H . . 4.200 3.864 2.694 4.099 . 0 0 "[ . 1 . 2]" 1
182 1 20 LYS HB2 1 38 THR HB . . 4.640 2.991 1.858 4.220 . 0 0 "[ . 1 . 2]" 1
183 1 20 LYS HB3 1 21 LEU H . . 4.200 3.493 2.573 4.030 . 0 0 "[ . 1 . 2]" 1
184 1 20 LYS HB3 1 38 THR HB . . 4.640 2.897 1.911 4.103 . 0 0 "[ . 1 . 2]" 1
185 1 20 LYS QD 1 38 THR HB . . 3.860 3.645 2.954 3.885 0.025 11 0 "[ . 1 . 2]" 1
186 1 20 LYS QE 1 20 LYS QG . . 3.360 2.316 2.122 2.847 . 0 0 "[ . 1 . 2]" 1
187 1 20 LYS QG 1 21 LEU H . . 3.930 3.178 2.386 3.971 0.041 19 0 "[ . 1 . 2]" 1
188 1 20 LYS QG 1 38 THR HB . . 4.000 3.501 1.723 4.029 0.029 14 0 "[ . 1 . 2]" 1
189 1 21 LEU H 1 21 LEU HB2 . . 3.970 2.989 2.802 3.191 . 0 0 "[ . 1 . 2]" 1
190 1 21 LEU H 1 21 LEU HB3 . . 3.970 2.610 2.451 2.725 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU H 1 22 GLU H . . 4.620 4.172 4.084 4.319 . 0 0 "[ . 1 . 2]" 1
192 1 21 LEU H 1 66 TYR QE . . 4.630 3.229 2.895 3.777 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU HA 1 22 GLU H . . 3.120 2.219 2.119 2.291 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU HA 1 38 THR H . . 3.950 3.374 3.049 3.838 . 0 0 "[ . 1 . 2]" 1
195 1 21 LEU HA 1 63 ILE MD . . 5.320 5.223 4.906 5.419 0.099 18 0 "[ . 1 . 2]" 1
196 1 21 LEU QB 1 21 LEU QD . . 2.790 1.925 1.902 1.956 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU QB 1 22 GLU H . . 4.000 3.880 3.797 3.942 . 0 0 "[ . 1 . 2]" 1
198 1 21 LEU QB 1 66 TYR QD . . 4.240 2.683 2.269 3.252 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU QB 1 66 TYR QE . . 3.800 2.657 2.357 2.992 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU QD 1 22 GLU H . . 4.170 2.705 2.361 2.860 . 0 0 "[ . 1 . 2]" 1
201 1 21 LEU QD 1 62 PHE QD . . 4.230 3.273 2.406 3.890 . 0 0 "[ . 1 . 2]" 1
202 1 21 LEU QD 1 62 PHE QE . . 4.210 3.521 2.361 4.217 0.007 7 0 "[ . 1 . 2]" 1
203 1 21 LEU QD 1 63 ILE HA . . 3.660 2.304 2.006 2.843 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU QD 1 63 ILE MD . . 3.400 1.719 1.639 1.839 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU QD 1 63 ILE QG . . 3.680 3.268 3.116 3.578 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU QD 1 63 ILE MG . . 3.570 2.224 1.798 3.297 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU QD 1 66 TYR HA . . 4.540 4.592 4.435 4.647 0.107 9 0 "[ . 1 . 2]" 1
208 1 21 LEU QD 1 66 TYR QB . . 4.550 2.229 2.134 2.401 . 0 0 "[ . 1 . 2]" 1
209 1 21 LEU QD 1 66 TYR QD . . 3.470 2.232 1.948 2.781 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU QD 1 66 TYR QE . . 4.480 3.518 3.202 3.668 . 0 0 "[ . 1 . 2]" 1
211 1 21 LEU MD1 1 63 ILE HA . . 4.800 2.496 2.012 4.685 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU MD1 1 66 TYR QD . . 4.440 2.446 1.952 4.493 0.053 20 0 "[ . 1 . 2]" 1
213 1 21 LEU MD2 1 63 ILE HA . . 4.800 3.731 2.468 4.210 . 0 0 "[ . 1 . 2]" 1
214 1 21 LEU MD2 1 66 TYR QD . . 4.440 3.741 2.056 4.288 . 0 0 "[ . 1 . 2]" 1
215 1 21 LEU HG 1 22 GLU H . . 4.080 3.691 3.376 3.892 . 0 0 "[ . 1 . 2]" 1
216 1 22 GLU H 1 22 GLU QG . . 4.120 3.185 2.261 4.144 0.024 13 0 "[ . 1 . 2]" 1
217 1 22 GLU H 1 36 ILE H . . 3.850 3.092 2.949 3.372 . 0 0 "[ . 1 . 2]" 1
218 1 22 GLU H 1 36 ILE HB . . 3.600 2.828 2.677 2.922 . 0 0 "[ . 1 . 2]" 1
219 1 22 GLU H 1 36 ILE QG . . 4.200 4.285 4.244 4.340 0.140 11 0 "[ . 1 . 2]" 1
220 1 22 GLU H 1 36 ILE MG . . 3.900 3.878 3.608 3.947 0.047 5 0 "[ . 1 . 2]" 1
221 1 22 GLU H 1 37 ILE HA . . 4.010 3.747 3.424 3.991 . 0 0 "[ . 1 . 2]" 1
222 1 22 GLU H 1 37 ILE QG . . 4.730 4.406 3.719 4.802 0.072 4 0 "[ . 1 . 2]" 1
223 1 22 GLU HA 1 23 MET H . . 3.160 2.232 2.140 2.354 . 0 0 "[ . 1 . 2]" 1
224 1 22 GLU QB 1 23 MET H . . 4.350 3.216 2.773 3.803 . 0 0 "[ . 1 . 2]" 1
225 1 22 GLU QB 1 36 ILE QG . . 4.220 3.540 3.009 4.288 0.068 2 0 "[ . 1 . 2]" 1
226 1 22 GLU QG 1 23 MET H . . 4.340 3.792 2.674 4.413 0.073 11 0 "[ . 1 . 2]" 1
227 1 22 GLU QG 1 36 ILE MG . . 4.490 3.952 2.520 4.544 0.054 18 0 "[ . 1 . 2]" 1
228 1 23 MET H 1 23 MET HB2 . . 3.600 3.057 2.447 3.708 0.108 9 0 "[ . 1 . 2]" 1
229 1 23 MET H 1 23 MET HB3 . . 3.600 3.250 2.498 3.677 0.077 11 0 "[ . 1 . 2]" 1
230 1 23 MET H 1 23 MET QG . . 4.110 2.724 2.042 4.010 . 0 0 "[ . 1 . 2]" 1
231 1 23 MET HA 1 24 LYS H . . 2.850 2.042 1.971 2.102 . 0 0 "[ . 1 . 2]" 1
232 1 23 MET HA 1 35 VAL HA . . 3.520 2.670 2.362 3.025 . 0 0 "[ . 1 . 2]" 1
233 1 23 MET HA 1 35 VAL QG . . 4.430 3.634 3.286 3.998 . 0 0 "[ . 1 . 2]" 1
234 1 23 MET HA 1 36 ILE H . . 4.100 2.969 2.715 3.320 . 0 0 "[ . 1 . 2]" 1
235 1 23 MET QB 1 24 LYS H . . 4.420 3.435 3.279 3.906 . 0 0 "[ . 1 . 2]" 1
236 1 23 MET QG 1 24 LYS H . . 4.790 4.172 3.191 4.812 0.022 3 0 "[ . 1 . 2]" 1
237 1 24 LYS H 1 24 LYS HB2 . . 4.070 3.993 3.844 4.058 . 0 0 "[ . 1 . 2]" 1
238 1 24 LYS H 1 24 LYS HB3 . . 4.070 3.583 3.333 3.700 . 0 0 "[ . 1 . 2]" 1
239 1 24 LYS H 1 24 LYS QD . . 4.030 3.264 2.219 4.180 0.150 19 0 "[ . 1 . 2]" 1
240 1 24 LYS H 1 24 LYS QG . . 3.580 2.887 2.331 3.507 . 0 0 "[ . 1 . 2]" 1
241 1 24 LYS H 1 33 LYS QB . . 4.230 3.212 2.886 3.491 . 0 0 "[ . 1 . 2]" 1
242 1 24 LYS H 1 34 MET H . . 3.710 3.524 3.009 3.769 0.059 5 0 "[ . 1 . 2]" 1
243 1 24 LYS H 1 35 VAL HA . . 4.240 3.826 3.544 4.120 . 0 0 "[ . 1 . 2]" 1
244 1 24 LYS H 1 36 ILE H . . 4.500 3.697 3.545 3.857 . 0 0 "[ . 1 . 2]" 1
245 1 24 LYS HA 1 25 PRO HD2 . . 3.220 2.451 2.254 2.738 . 0 0 "[ . 1 . 2]" 1
246 1 24 LYS HA 1 25 PRO HD3 . . 3.220 2.348 2.243 2.497 . 0 0 "[ . 1 . 2]" 1
247 1 24 LYS QB 1 25 PRO QD . . 3.290 2.265 1.986 2.491 . 0 0 "[ . 1 . 2]" 1
248 1 24 LYS HB2 1 25 PRO HD2 . . 4.460 2.329 2.013 2.605 . 0 0 "[ . 1 . 2]" 1
249 1 24 LYS HB2 1 25 PRO HD3 . . 4.460 3.692 3.421 3.925 . 0 0 "[ . 1 . 2]" 1
250 1 24 LYS HB3 1 25 PRO HD2 . . 4.460 3.501 3.325 3.682 . 0 0 "[ . 1 . 2]" 1
251 1 24 LYS HB3 1 25 PRO HD3 . . 4.460 4.371 4.076 4.500 0.040 2 0 "[ . 1 . 2]" 1
252 1 24 LYS QE 1 36 ILE HB . . 3.970 3.169 2.451 3.888 . 0 0 "[ . 1 . 2]" 1
253 1 24 LYS QE 1 36 ILE MD . . 4.370 3.109 2.407 3.948 . 0 0 "[ . 1 . 2]" 1
254 1 24 LYS QE 1 36 ILE MG . . 3.830 2.586 2.013 3.109 . 0 0 "[ . 1 . 2]" 1
255 1 24 LYS HE2 1 24 LYS QG . . 3.590 2.580 2.292 3.306 . 0 0 "[ . 1 . 2]" 1
256 1 24 LYS HE3 1 24 LYS QG . . 3.590 2.790 2.289 3.336 . 0 0 "[ . 1 . 2]" 1
257 1 25 PRO HA 1 26 LYS H . . 3.370 2.456 2.112 3.395 0.025 6 0 "[ . 1 . 2]" 1
258 1 25 PRO HA 1 27 TYR H . . 4.360 3.840 3.397 4.293 . 0 0 "[ . 1 . 2]" 1
259 1 25 PRO HA 1 34 MET H . . 3.680 2.069 1.740 2.470 . 0 0 "[ . 1 . 2]" 1
260 1 25 PRO HA 1 34 MET QG . . 4.080 2.607 1.851 3.555 . 0 0 "[ . 1 . 2]" 1
261 1 25 PRO QB 1 26 LYS H . . 3.880 3.251 2.814 3.777 . 0 0 "[ . 1 . 2]" 1
262 1 25 PRO QB 1 27 TYR H . . 4.150 2.841 2.548 3.159 . 0 0 "[ . 1 . 2]" 1
263 1 25 PRO QB 1 30 CYS H . . 4.180 3.397 2.951 3.729 . 0 0 "[ . 1 . 2]" 1
264 1 25 PRO QB 1 30 CYS QB . . 3.110 2.287 1.893 2.783 . 0 0 "[ . 1 . 2]" 1
265 1 25 PRO HB2 1 26 LYS H . . 4.560 3.442 2.930 4.034 . 0 0 "[ . 1 . 2]" 1
266 1 25 PRO HB2 1 30 CYS HB2 . . 4.060 2.717 1.930 4.085 0.025 4 0 "[ . 1 . 2]" 1
267 1 25 PRO HB2 1 30 CYS HB3 . . 4.060 3.740 2.483 4.137 0.077 18 0 "[ . 1 . 2]" 1
268 1 25 PRO HB3 1 26 LYS H . . 4.560 4.010 3.633 4.551 . 0 0 "[ . 1 . 2]" 1
269 1 25 PRO HB3 1 30 CYS HB2 . . 4.060 3.089 2.278 4.141 0.081 4 0 "[ . 1 . 2]" 1
270 1 25 PRO HB3 1 30 CYS HB3 . . 4.060 3.601 2.472 4.095 0.035 15 0 "[ . 1 . 2]" 1
271 1 25 PRO QD 1 33 LYS QE . . 4.050 3.063 2.725 3.646 . 0 0 "[ . 1 . 2]" 1
272 1 25 PRO QD 1 33 LYS QG . . 3.590 3.139 1.855 3.679 0.089 2 0 "[ . 1 . 2]" 1
273 1 25 PRO HD2 1 33 LYS QD . . 4.230 3.293 2.765 4.247 0.017 5 0 "[ . 1 . 2]" 1
274 1 25 PRO HD2 1 33 LYS QE . . 4.800 3.902 3.485 4.513 . 0 0 "[ . 1 . 2]" 1
275 1 25 PRO HD3 1 33 LYS QD . . 4.230 2.074 1.729 2.866 . 0 0 "[ . 1 . 2]" 1
276 1 25 PRO HD3 1 33 LYS QE . . 4.800 3.209 2.814 3.850 . 0 0 "[ . 1 . 2]" 1
277 1 25 PRO QG 1 27 TYR H . . 4.480 4.256 3.590 4.568 0.088 2 0 "[ . 1 . 2]" 1
278 1 25 PRO QG 1 30 CYS QB . . 4.520 3.968 3.610 4.284 . 0 0 "[ . 1 . 2]" 1
279 1 26 LYS H 1 26 LYS QB . . 3.540 2.446 2.171 3.389 . 0 0 "[ . 1 . 2]" 1
280 1 26 LYS H 1 26 LYS QG . . 4.450 3.975 3.090 4.245 . 0 0 "[ . 1 . 2]" 1
281 1 26 LYS H 1 27 TYR H . . 3.870 2.704 2.285 3.665 . 0 0 "[ . 1 . 2]" 1
282 1 26 LYS HA 1 26 LYS QD . . 3.590 2.822 1.955 3.793 0.203 11 0 "[ . 1 . 2]" 1
283 1 26 LYS HA 1 26 LYS QE . . 4.950 4.240 3.744 4.981 0.031 11 0 "[ . 1 . 2]" 1
284 1 26 LYS HA 1 26 LYS HG2 . . 3.950 3.114 2.457 3.832 . 0 0 "[ . 1 . 2]" 1
285 1 26 LYS HA 1 26 LYS QG . . 3.400 2.578 2.345 2.985 . 0 0 "[ . 1 . 2]" 1
286 1 26 LYS HA 1 26 LYS HG3 . . 3.950 3.130 2.418 3.727 . 0 0 "[ . 1 . 2]" 1
287 1 26 LYS HA 1 36 ILE MD . . 3.510 3.478 2.930 3.642 0.132 12 0 "[ . 1 . 2]" 1
288 1 26 LYS QB 1 26 LYS HD2 . . 2.470 2.385 2.165 2.623 0.153 3 0 "[ . 1 . 2]" 1
289 1 26 LYS QB 1 26 LYS HD3 . . 2.470 2.430 2.251 2.648 0.178 13 0 "[ . 1 . 2]" 1
290 1 26 LYS QB 1 26 LYS QE . . 3.970 3.617 3.503 3.765 . 0 0 "[ . 1 . 2]" 1
291 1 26 LYS QB 1 27 TYR H . . 3.890 2.628 2.185 3.017 . 0 0 "[ . 1 . 2]" 1
292 1 27 TYR H 1 27 TYR HB2 . . 4.090 2.638 2.492 2.982 . 0 0 "[ . 1 . 2]" 1
293 1 27 TYR H 1 27 TYR HB3 . . 4.090 3.723 3.657 3.855 . 0 0 "[ . 1 . 2]" 1
294 1 27 TYR H 1 27 TYR QD . . 4.280 3.121 2.850 3.423 . 0 0 "[ . 1 . 2]" 1
295 1 27 TYR H 1 30 CYS HB2 . . 4.220 3.279 3.034 3.511 . 0 0 "[ . 1 . 2]" 1
296 1 27 TYR H 1 30 CYS QB . . 3.590 3.157 2.862 3.348 . 0 0 "[ . 1 . 2]" 1
297 1 27 TYR H 1 30 CYS HB3 . . 4.220 4.168 3.507 4.318 0.098 5 0 "[ . 1 . 2]" 1
298 1 27 TYR HA 1 27 TYR QD . . 3.700 2.979 2.668 3.147 . 0 0 "[ . 1 . 2]" 1
299 1 27 TYR HA 1 28 PRO QD . . 3.160 1.969 1.908 2.172 . 0 0 "[ . 1 . 2]" 1
300 1 27 TYR QB 1 28 PRO QD . . 3.370 2.806 2.243 3.130 . 0 0 "[ . 1 . 2]" 1
301 1 27 TYR QB 1 29 HIS HE1 . . 3.310 3.348 3.057 3.410 0.100 2 0 "[ . 1 . 2]" 1
302 1 27 TYR QB 1 30 CYS H . . 4.570 3.771 3.531 3.964 . 0 0 "[ . 1 . 2]" 1
303 1 27 TYR HB2 1 29 HIS HE1 . . 3.790 3.779 3.572 3.886 0.096 5 0 "[ . 1 . 2]" 1
304 1 27 TYR HB3 1 29 HIS HE1 . . 3.790 3.753 3.205 3.863 0.073 14 0 "[ . 1 . 2]" 1
305 1 27 TYR QD 1 28 PRO QD . . 4.130 3.186 2.617 3.667 . 0 0 "[ . 1 . 2]" 1
306 1 27 TYR QD 1 29 HIS HD2 . . 2.560 2.685 2.603 2.754 0.194 3 0 "[ . 1 . 2]" 1
307 1 27 TYR QD 1 29 HIS HE1 . . 4.080 4.069 3.793 4.180 0.100 16 0 "[ . 1 . 2]" 1
308 1 29 HIS H 1 30 CYS H . . 3.740 2.892 2.641 3.055 . 0 0 "[ . 1 . 2]" 1
309 1 29 HIS QB 1 29 HIS HD2 . . 3.400 2.841 2.730 3.188 . 0 0 "[ . 1 . 2]" 1
310 1 29 HIS QB 1 29 HIS HE1 . . 4.400 4.423 4.348 4.455 0.055 18 0 "[ . 1 . 2]" 1
311 1 30 CYS H 1 30 CYS HB2 . . 3.580 2.449 2.286 2.931 . 0 0 "[ . 1 . 2]" 1
312 1 30 CYS H 1 30 CYS QB . . 2.970 2.352 2.262 2.410 . 0 0 "[ . 1 . 2]" 1
313 1 30 CYS H 1 30 CYS HB3 . . 3.580 3.431 2.500 3.649 0.069 2 0 "[ . 1 . 2]" 1
314 1 30 CYS HA 1 31 GLU H . . 3.560 2.395 2.252 2.586 . 0 0 "[ . 1 . 2]" 1
315 1 30 CYS QB 1 31 GLU H . . 4.320 2.877 2.335 3.551 . 0 0 "[ . 1 . 2]" 1
316 1 31 GLU H 1 31 GLU HB2 . . 4.140 2.601 2.366 3.349 . 0 0 "[ . 1 . 2]" 1
317 1 31 GLU H 1 31 GLU QB . . 3.600 2.430 2.151 2.975 . 0 0 "[ . 1 . 2]" 1
318 1 31 GLU H 1 31 GLU HB3 . . 4.140 3.246 2.303 3.678 . 0 0 "[ . 1 . 2]" 1
319 1 31 GLU H 1 55 LYS QE . . 4.730 4.812 4.666 4.915 0.185 8 0 "[ . 1 . 2]" 1
320 1 31 GLU HA 1 31 GLU HG2 . . 3.800 3.068 2.522 4.019 0.219 11 0 "[ . 1 . 2]" 1
321 1 31 GLU HA 1 31 GLU HG3 . . 3.800 3.035 2.472 3.753 . 0 0 "[ . 1 . 2]" 1
322 1 31 GLU QB 1 31 GLU QG . . 2.060 1.991 1.900 2.015 . 0 0 "[ . 1 . 2]" 1
323 1 31 GLU QB 1 32 GLU H . . 3.740 3.269 2.965 3.764 0.024 8 0 "[ . 1 . 2]" 1
324 1 31 GLU HB2 1 31 GLU HG2 . . 2.820 2.728 2.293 2.933 0.113 7 0 "[ . 1 . 2]" 1
325 1 31 GLU HB2 1 31 GLU HG3 . . 2.820 2.514 2.275 2.934 0.114 14 0 "[ . 1 . 2]" 1
326 1 31 GLU HB2 1 32 GLU H . . 4.530 4.052 3.294 4.286 . 0 0 "[ . 1 . 2]" 1
327 1 31 GLU HB3 1 31 GLU HG2 . . 2.820 2.404 2.262 2.946 0.126 3 0 "[ . 1 . 2]" 1
328 1 31 GLU HB3 1 31 GLU HG3 . . 2.820 2.747 2.367 2.946 0.126 12 0 "[ . 1 . 2]" 1
329 1 31 GLU HB3 1 32 GLU H . . 4.530 3.500 3.042 4.170 . 0 0 "[ . 1 . 2]" 1
330 1 32 GLU H 1 32 GLU HA . . 2.700 2.244 2.202 2.306 . 0 0 "[ . 1 . 2]" 1
331 1 32 GLU H 1 32 GLU QB . . 3.230 3.058 2.853 3.292 0.062 18 0 "[ . 1 . 2]" 1
332 1 32 GLU HA 1 32 GLU QG . . 3.590 2.640 2.366 3.191 . 0 0 "[ . 1 . 2]" 1
333 1 32 GLU HA 1 33 LYS H . . 2.790 2.661 2.304 2.831 0.041 20 0 "[ . 1 . 2]" 1
334 1 32 GLU QB 1 33 LYS H . . 3.400 2.593 1.674 3.403 0.003 17 0 "[ . 1 . 2]" 1
335 1 32 GLU QG 1 33 LYS H . . 3.960 2.503 1.595 3.810 . 0 0 "[ . 1 . 2]" 1
336 1 33 LYS H 1 33 LYS HB2 . . 3.890 2.478 2.275 2.612 . 0 0 "[ . 1 . 2]" 1
337 1 33 LYS H 1 33 LYS QB . . 3.170 2.436 2.249 2.555 . 0 0 "[ . 1 . 2]" 1
338 1 33 LYS H 1 33 LYS HB3 . . 3.890 3.611 3.551 3.676 . 0 0 "[ . 1 . 2]" 1
339 1 33 LYS H 1 33 LYS QD . . 3.350 3.066 2.283 3.422 0.072 14 0 "[ . 1 . 2]" 1
340 1 33 LYS H 1 33 LYS HG2 . . 4.090 2.804 2.058 4.100 0.010 16 0 "[ . 1 . 2]" 1
341 1 33 LYS H 1 33 LYS HG3 . . 4.090 3.842 3.591 4.151 0.061 16 0 "[ . 1 . 2]" 1
342 1 33 LYS HA 1 33 LYS QD . . 3.670 2.218 1.968 2.468 . 0 0 "[ . 1 . 2]" 1
343 1 33 LYS HA 1 33 LYS QE . . 4.620 4.150 3.916 4.316 . 0 0 "[ . 1 . 2]" 1
344 1 33 LYS HA 1 33 LYS QG . . 3.540 2.867 2.527 3.112 . 0 0 "[ . 1 . 2]" 1
345 1 33 LYS HA 1 34 MET H . . 2.980 2.081 1.960 2.257 . 0 0 "[ . 1 . 2]" 1
346 1 33 LYS QB 1 33 LYS QD . . 2.350 2.362 2.303 2.392 0.042 12 0 "[ . 1 . 2]" 1
347 1 33 LYS QB 1 34 MET H . . 3.830 3.157 2.828 3.516 . 0 0 "[ . 1 . 2]" 1
348 1 33 LYS QD 1 34 MET H . . 4.150 3.952 3.622 4.318 0.168 8 0 "[ . 1 . 2]" 1
349 1 33 LYS QE 1 33 LYS QG . . 3.260 2.319 2.110 2.381 . 0 0 "[ . 1 . 2]" 1
350 1 33 LYS QG 1 34 MET H . . 4.480 4.440 3.944 4.651 0.171 19 0 "[ . 1 . 2]" 1
351 1 34 MET H 1 34 MET HB2 . . 3.990 2.484 2.288 2.615 . 0 0 "[ . 1 . 2]" 1
352 1 34 MET H 1 34 MET QB . . 3.290 2.429 2.177 2.565 . 0 0 "[ . 1 . 2]" 1
353 1 34 MET H 1 34 MET HB3 . . 3.990 3.578 2.382 3.720 . 0 0 "[ . 1 . 2]" 1
354 1 34 MET H 1 34 MET ME . . 4.280 3.656 2.337 4.480 0.200 10 0 "[ . 1 . 2]" 1
355 1 34 MET H 1 34 MET HG2 . . 4.550 3.223 2.105 4.474 . 0 0 "[ . 1 . 2]" 1
356 1 34 MET H 1 34 MET QG . . 3.760 2.973 2.087 3.914 0.154 17 0 "[ . 1 . 2]" 1
357 1 34 MET H 1 34 MET HG3 . . 4.550 3.887 3.426 4.321 . 0 0 "[ . 1 . 2]" 1
358 1 34 MET HA 1 34 MET ME . . 3.430 2.698 1.809 3.614 0.184 9 0 "[ . 1 . 2]" 1
359 1 34 MET HA 1 34 MET QG . . 3.030 2.753 2.346 3.081 0.051 1 0 "[ . 1 . 2]" 1
360 1 34 MET HA 1 35 VAL H . . 3.520 2.291 2.173 2.497 . 0 0 "[ . 1 . 2]" 1
361 1 34 MET HA 1 54 PRO QG . . 4.200 2.530 2.095 3.137 . 0 0 "[ . 1 . 2]" 1
362 1 34 MET QB 1 35 VAL H . . 3.090 2.486 2.323 3.231 0.141 17 0 "[ . 1 . 2]" 1
363 1 34 MET QB 1 54 PRO QD . . 4.000 3.589 3.165 4.027 0.027 20 0 "[ . 1 . 2]" 1
364 1 34 MET HB2 1 35 VAL H . . 3.670 3.704 3.541 3.767 0.097 14 0 "[ . 1 . 2]" 1
365 1 34 MET HB3 1 35 VAL H . . 3.670 2.536 2.346 3.527 . 0 0 "[ . 1 . 2]" 1
366 1 34 MET ME 1 34 MET HG2 . . 3.620 2.847 2.215 3.396 . 0 0 "[ . 1 . 2]" 1
367 1 34 MET ME 1 34 MET QG . . 3.000 2.294 2.075 2.462 . 0 0 "[ . 1 . 2]" 1
368 1 34 MET ME 1 34 MET HG3 . . 3.620 2.681 2.204 3.442 . 0 0 "[ . 1 . 2]" 1
369 1 34 MET ME 1 54 PRO HD2 . . 3.910 2.625 2.051 3.238 . 0 0 "[ . 1 . 2]" 1
370 1 34 MET ME 1 54 PRO HD3 . . 3.910 3.079 2.335 3.953 0.043 12 0 "[ . 1 . 2]" 1
371 1 34 MET QG 1 35 VAL H . . 4.550 3.832 1.994 4.448 . 0 0 "[ . 1 . 2]" 1
372 1 35 VAL H 1 35 VAL HB . . 3.420 2.513 2.398 3.514 0.094 13 0 "[ . 1 . 2]" 1
373 1 35 VAL H 1 35 VAL MG1 . . 3.850 3.726 3.081 3.817 . 0 0 "[ . 1 . 2]" 1
374 1 35 VAL H 1 35 VAL QG . . 3.280 2.382 1.865 2.492 . 0 0 "[ . 1 . 2]" 1
375 1 35 VAL H 1 35 VAL MG2 . . 3.850 2.411 1.881 2.526 . 0 0 "[ . 1 . 2]" 1
376 1 35 VAL H 1 52 LEU H . . 4.340 3.257 3.014 3.580 . 0 0 "[ . 1 . 2]" 1
377 1 35 VAL H 1 52 LEU QB . . 4.200 3.843 3.698 4.121 . 0 0 "[ . 1 . 2]" 1
378 1 35 VAL H 1 54 PRO HD2 . . 4.600 4.283 3.646 4.616 0.016 7 0 "[ . 1 . 2]" 1
379 1 35 VAL H 1 54 PRO QD . . 3.810 2.648 2.243 2.946 . 0 0 "[ . 1 . 2]" 1
380 1 35 VAL H 1 54 PRO HD3 . . 4.600 2.674 2.260 2.980 . 0 0 "[ . 1 . 2]" 1
381 1 35 VAL H 1 54 PRO QG . . 4.480 3.945 3.384 4.453 . 0 0 "[ . 1 . 2]" 1
382 1 35 VAL HA 1 35 VAL MG1 . . 3.380 2.393 2.166 2.449 . 0 0 "[ . 1 . 2]" 1
383 1 35 VAL HA 1 35 VAL QG . . 2.960 2.128 2.107 2.140 . 0 0 "[ . 1 . 2]" 1
384 1 35 VAL HA 1 35 VAL MG2 . . 3.380 2.412 2.340 3.126 . 0 0 "[ . 1 . 2]" 1
385 1 35 VAL HA 1 36 ILE H . . 3.000 2.110 2.023 2.176 . 0 0 "[ . 1 . 2]" 1
386 1 35 VAL HB 1 36 ILE H . . 4.700 4.276 3.580 4.370 . 0 0 "[ . 1 . 2]" 1
387 1 35 VAL HB 1 52 LEU H . . 4.320 2.693 2.252 4.338 0.018 13 0 "[ . 1 . 2]" 1
388 1 35 VAL HB 1 52 LEU HB2 . . 4.120 2.686 1.859 3.581 . 0 0 "[ . 1 . 2]" 1
389 1 35 VAL HB 1 52 LEU QB . . 3.340 1.988 1.846 3.127 . 0 0 "[ . 1 . 2]" 1
390 1 35 VAL HB 1 52 LEU HB3 . . 4.120 2.706 1.853 4.201 0.081 13 0 "[ . 1 . 2]" 1
391 1 35 VAL HB 1 52 LEU QD . . 4.460 3.393 2.705 3.755 . 0 0 "[ . 1 . 2]" 1
392 1 35 VAL HB 1 59 THR MG . . 3.980 3.367 3.071 3.889 . 0 0 "[ . 1 . 2]" 1
393 1 35 VAL QG 1 36 ILE H . . 3.550 2.956 2.754 3.416 . 0 0 "[ . 1 . 2]" 1
394 1 35 VAL QG 1 52 LEU QB . . 3.250 2.394 1.850 2.772 . 0 0 "[ . 1 . 2]" 1
395 1 35 VAL QG 1 54 PRO HA . . 3.480 3.097 2.747 3.471 . 0 0 "[ . 1 . 2]" 1
396 1 35 VAL QG 1 54 PRO QB . . 3.400 2.371 1.816 2.877 . 0 0 "[ . 1 . 2]" 1
397 1 35 VAL QG 1 54 PRO QD . . 3.990 2.814 2.118 3.312 . 0 0 "[ . 1 . 2]" 1
398 1 35 VAL QG 1 54 PRO QG . . 3.560 3.343 2.712 3.619 0.059 6 0 "[ . 1 . 2]" 1
399 1 35 VAL QG 1 59 THR MG . . 3.050 2.058 1.866 2.456 . 0 0 "[ . 1 . 2]" 1
400 1 35 VAL MG1 1 36 ILE H . . 4.490 3.032 2.799 3.574 . 0 0 "[ . 1 . 2]" 1
401 1 35 VAL MG1 1 59 THR MG . . 3.750 3.067 2.659 3.606 . 0 0 "[ . 1 . 2]" 1
402 1 35 VAL MG2 1 36 ILE H . . 4.490 4.111 4.027 4.339 . 0 0 "[ . 1 . 2]" 1
403 1 35 VAL MG2 1 59 THR MG . . 3.750 2.094 1.883 2.500 . 0 0 "[ . 1 . 2]" 1
404 1 36 ILE H 1 36 ILE HB . . 3.550 2.503 2.425 2.587 . 0 0 "[ . 1 . 2]" 1
405 1 36 ILE H 1 36 ILE MD . . 4.040 3.404 3.312 3.499 . 0 0 "[ . 1 . 2]" 1
406 1 36 ILE H 1 36 ILE HG12 . . 4.300 2.344 2.222 2.474 . 0 0 "[ . 1 . 2]" 1
407 1 36 ILE H 1 36 ILE QG . . 3.580 2.322 2.203 2.447 . 0 0 "[ . 1 . 2]" 1
408 1 36 ILE H 1 36 ILE HG13 . . 4.300 3.767 3.637 3.878 . 0 0 "[ . 1 . 2]" 1
409 1 36 ILE HA 1 36 ILE MD . . 3.630 2.169 2.068 2.282 . 0 0 "[ . 1 . 2]" 1
410 1 36 ILE HA 1 36 ILE MG . . 3.580 2.360 2.303 2.434 . 0 0 "[ . 1 . 2]" 1
411 1 36 ILE HA 1 37 ILE H . . 3.280 2.104 2.050 2.136 . 0 0 "[ . 1 . 2]" 1
412 1 36 ILE MD 1 36 ILE MG . . 3.050 2.039 1.996 2.061 . 0 0 "[ . 1 . 2]" 1
413 1 36 ILE MD 1 37 ILE H . . 4.220 3.880 3.690 4.022 . 0 0 "[ . 1 . 2]" 1
414 1 36 ILE MD 1 49 GLU QB . . 4.740 3.713 3.143 4.115 . 0 0 "[ . 1 . 2]" 1
415 1 36 ILE MD 1 51 CYS HA . . 3.760 3.126 2.544 3.624 . 0 0 "[ . 1 . 2]" 1
416 1 36 ILE MD 1 51 CYS HB2 . . 4.330 3.178 2.557 3.702 . 0 0 "[ . 1 . 2]" 1
417 1 36 ILE MD 1 51 CYS QB . . 3.630 2.621 2.039 3.096 . 0 0 "[ . 1 . 2]" 1
418 1 36 ILE MD 1 51 CYS HB3 . . 4.330 2.893 2.098 4.270 . 0 0 "[ . 1 . 2]" 1
419 1 36 ILE MD 1 52 LEU H . . 4.460 4.053 3.532 4.470 0.010 9 0 "[ . 1 . 2]" 1
420 1 36 ILE QG 1 36 ILE MG . . 3.100 2.316 2.287 2.383 . 0 0 "[ . 1 . 2]" 1
421 1 36 ILE HG12 1 36 ILE MG . . 3.700 3.196 3.182 3.209 . 0 0 "[ . 1 . 2]" 1
422 1 36 ILE HG13 1 36 ILE MG . . 3.700 2.378 2.341 2.459 . 0 0 "[ . 1 . 2]" 1
423 1 36 ILE MG 1 37 ILE H . . 3.540 2.890 2.604 3.093 . 0 0 "[ . 1 . 2]" 1
424 1 36 ILE MG 1 49 GLU HA . . 4.290 4.041 3.403 4.331 0.041 17 0 "[ . 1 . 2]" 1
425 1 36 ILE MG 1 49 GLU QB . . 3.400 2.239 1.998 2.789 . 0 0 "[ . 1 . 2]" 1
426 1 36 ILE MG 1 49 GLU HG2 . . 4.000 2.639 1.923 3.577 . 0 0 "[ . 1 . 2]" 1
427 1 36 ILE MG 1 49 GLU QG . . 3.350 2.552 1.902 3.361 0.011 13 0 "[ . 1 . 2]" 1
428 1 36 ILE MG 1 49 GLU HG3 . . 4.000 3.535 2.656 4.082 0.082 13 0 "[ . 1 . 2]" 1
429 1 36 ILE MG 1 50 HIS H . . 4.240 4.030 3.546 4.278 0.038 17 0 "[ . 1 . 2]" 1
430 1 36 ILE MG 1 51 CYS QB . . 4.110 4.018 3.578 4.185 0.075 19 0 "[ . 1 . 2]" 1
431 1 37 ILE H 1 37 ILE HB . . 3.510 2.539 2.440 2.647 . 0 0 "[ . 1 . 2]" 1
432 1 37 ILE H 1 37 ILE MD . . 4.600 4.003 3.701 4.322 . 0 0 "[ . 1 . 2]" 1
433 1 37 ILE H 1 37 ILE HG12 . . 4.170 3.608 2.685 4.175 0.005 1 0 "[ . 1 . 2]" 1
434 1 37 ILE H 1 37 ILE QG . . 3.560 2.825 2.429 3.158 . 0 0 "[ . 1 . 2]" 1
435 1 37 ILE H 1 37 ILE HG13 . . 4.170 3.274 2.469 4.167 . 0 0 "[ . 1 . 2]" 1
436 1 37 ILE H 1 37 ILE MG . . 4.280 3.785 3.734 3.842 . 0 0 "[ . 1 . 2]" 1
437 1 37 ILE H 1 49 GLU HA . . 4.620 4.383 3.958 4.594 . 0 0 "[ . 1 . 2]" 1
438 1 37 ILE H 1 49 GLU QB . . 4.630 3.395 2.948 3.980 . 0 0 "[ . 1 . 2]" 1
439 1 37 ILE H 1 50 HIS H . . 3.830 2.998 2.787 3.203 . 0 0 "[ . 1 . 2]" 1
440 1 37 ILE H 1 50 HIS HB2 . . 4.960 3.409 2.846 3.684 . 0 0 "[ . 1 . 2]" 1
441 1 37 ILE H 1 50 HIS QB . . 4.310 3.311 2.784 3.583 . 0 0 "[ . 1 . 2]" 1
442 1 37 ILE H 1 50 HIS HB3 . . 4.960 4.508 3.920 4.894 . 0 0 "[ . 1 . 2]" 1
443 1 37 ILE H 1 51 CYS HA . . 4.370 3.296 2.967 3.581 . 0 0 "[ . 1 . 2]" 1
444 1 37 ILE HA 1 37 ILE MG . . 3.630 2.493 2.256 2.639 . 0 0 "[ . 1 . 2]" 1
445 1 37 ILE HA 1 38 THR H . . 3.100 2.009 1.899 2.117 . 0 0 "[ . 1 . 2]" 1
446 1 37 ILE HB 1 38 THR H . . 4.390 4.243 3.902 4.350 . 0 0 "[ . 1 . 2]" 1
447 1 37 ILE HB 1 50 HIS H . . 4.050 3.186 2.892 3.511 . 0 0 "[ . 1 . 2]" 1
448 1 37 ILE HB 1 50 HIS HB2 . . 4.250 2.090 1.824 2.329 . 0 0 "[ . 1 . 2]" 1
449 1 37 ILE HB 1 50 HIS QB . . 3.670 2.076 1.805 2.312 . 0 0 "[ . 1 . 2]" 1
450 1 37 ILE HB 1 50 HIS HB3 . . 4.250 3.561 2.873 3.873 . 0 0 "[ . 1 . 2]" 1
451 1 37 ILE MD 1 37 ILE MG . . 2.920 1.878 1.733 2.022 . 0 0 "[ . 1 . 2]" 1
452 1 37 ILE MD 1 38 THR H . . 4.700 4.476 3.559 4.881 0.181 9 0 "[ . 1 . 2]" 1
453 1 37 ILE MD 1 50 HIS QB . . 4.570 3.721 2.580 4.622 0.052 11 0 "[ . 1 . 2]" 1
454 1 37 ILE MD 1 62 PHE QD . . 4.110 2.966 2.569 3.435 . 0 0 "[ . 1 . 2]" 1
455 1 37 ILE MD 1 62 PHE QE . . 4.060 2.096 1.834 2.439 . 0 0 "[ . 1 . 2]" 1
456 1 37 ILE MD 1 62 PHE HZ . . 4.790 3.569 3.101 4.308 . 0 0 "[ . 1 . 2]" 1
457 1 37 ILE MG 1 38 THR H . . 3.630 2.800 2.447 3.007 . 0 0 "[ . 1 . 2]" 1
458 1 37 ILE MG 1 39 THR MG . . 2.960 2.696 2.325 2.998 0.038 20 0 "[ . 1 . 2]" 1
459 1 37 ILE MG 1 50 HIS HB2 . . 4.730 3.139 2.650 3.387 . 0 0 "[ . 1 . 2]" 1
460 1 37 ILE MG 1 50 HIS QB . . 4.080 3.078 2.605 3.318 . 0 0 "[ . 1 . 2]" 1
461 1 37 ILE MG 1 50 HIS HB3 . . 4.730 4.446 3.840 4.744 0.014 13 0 "[ . 1 . 2]" 1
462 1 37 ILE MG 1 50 HIS HD2 . . 4.220 3.255 2.497 3.830 . 0 0 "[ . 1 . 2]" 1
463 1 38 THR H 1 38 THR HB . . 3.440 2.476 2.260 2.616 . 0 0 "[ . 1 . 2]" 1
464 1 38 THR H 1 38 THR MG . . 4.310 3.771 3.671 3.855 . 0 0 "[ . 1 . 2]" 1
465 1 38 THR HA 1 38 THR MG . . 3.590 2.385 2.321 2.505 . 0 0 "[ . 1 . 2]" 1
466 1 38 THR HA 1 49 GLU HA . . 3.700 2.594 2.123 3.153 . 0 0 "[ . 1 . 2]" 1
467 1 38 THR HA 1 50 HIS H . . 4.370 3.760 3.336 4.021 . 0 0 "[ . 1 . 2]" 1
468 1 38 THR HB 1 39 THR H . . 5.500 4.174 3.979 4.306 . 0 0 "[ . 1 . 2]" 1
469 1 38 THR MG 1 39 THR H . . 4.050 2.792 2.611 2.969 . 0 0 "[ . 1 . 2]" 1
470 1 38 THR MG 1 49 GLU HG2 . . 4.760 3.957 2.458 4.765 0.005 18 0 "[ . 1 . 2]" 1
471 1 38 THR MG 1 49 GLU QG . . 3.910 3.077 2.242 3.963 0.053 8 0 "[ . 1 . 2]" 1
472 1 38 THR MG 1 49 GLU HG3 . . 4.760 3.397 2.265 4.764 0.004 10 0 "[ . 1 . 2]" 1
473 1 39 THR H 1 39 THR MG . . 4.250 2.560 2.376 2.726 . 0 0 "[ . 1 . 2]" 1
474 1 39 THR HA 1 39 THR MG . . 3.520 2.274 2.176 2.376 . 0 0 "[ . 1 . 2]" 1
475 1 39 THR HA 1 40 LYS H . . 3.060 2.355 2.247 2.481 . 0 0 "[ . 1 . 2]" 1
476 1 39 THR HB 1 40 LYS H . . 3.360 2.452 2.179 2.602 . 0 0 "[ . 1 . 2]" 1
477 1 39 THR MG 1 40 LYS H . . 4.430 3.529 3.298 3.687 . 0 0 "[ . 1 . 2]" 1
478 1 39 THR MG 1 45 TYR QB . . 3.550 2.984 2.138 3.642 0.092 10 0 "[ . 1 . 2]" 1
479 1 39 THR MG 1 45 TYR QD . . 3.750 3.723 3.216 3.893 0.143 7 0 "[ . 1 . 2]" 1
480 1 39 THR MG 1 50 HIS HD2 . . 3.610 2.083 1.900 2.679 . 0 0 "[ . 1 . 2]" 1
481 1 42 VAL H 1 42 VAL MG1 . . 4.360 3.020 1.970 4.103 . 0 0 "[ . 1 . 2]" 1
482 1 42 VAL H 1 42 VAL QG . . 3.770 2.210 1.887 2.791 . 0 0 "[ . 1 . 2]" 1
483 1 42 VAL H 1 42 VAL MG2 . . 4.360 2.699 1.943 3.848 . 0 0 "[ . 1 . 2]" 1
484 1 42 VAL HA 1 42 VAL QG . . 3.150 2.235 2.145 2.423 . 0 0 "[ . 1 . 2]" 1
485 1 42 VAL HB 1 43 SER H . . 4.730 3.828 2.297 4.430 . 0 0 "[ . 1 . 2]" 1
486 1 44 ARG HA 1 44 ARG QG . . 3.600 2.940 2.357 3.602 0.002 2 0 "[ . 1 . 2]" 1
487 1 44 ARG QB 1 44 ARG QD . . 3.240 2.353 2.077 2.906 . 0 0 "[ . 1 . 2]" 1
488 1 44 ARG QB 1 45 TYR H . . 4.120 3.357 2.712 3.870 . 0 0 "[ . 1 . 2]" 1
489 1 44 ARG QG 1 45 TYR H . . 4.230 3.637 2.526 4.259 0.029 13 0 "[ . 1 . 2]" 1
490 1 45 TYR H 1 45 TYR QB . . 3.580 2.259 2.097 2.357 . 0 0 "[ . 1 . 2]" 1
491 1 45 TYR H 1 45 TYR QD . . 3.870 3.020 2.187 4.097 0.227 17 0 "[ . 1 . 2]" 1
492 1 45 TYR H 1 46 ARG H . . 3.770 2.447 2.020 2.715 . 0 0 "[ . 1 . 2]" 1
493 1 45 TYR HA 1 45 TYR QB . . 2.650 2.449 2.385 2.495 . 0 0 "[ . 1 . 2]" 1
494 1 45 TYR HA 1 45 TYR QD . . 3.340 2.729 1.952 3.092 . 0 0 "[ . 1 . 2]" 1
495 1 45 TYR QB 1 46 ARG H . . 4.100 3.036 2.401 3.523 . 0 0 "[ . 1 . 2]" 1
496 1 45 TYR QD 1 49 GLU H . . 4.310 4.100 3.349 4.393 0.083 20 0 "[ . 1 . 2]" 1
497 1 45 TYR QD 1 50 HIS HD2 . . 4.330 3.738 2.987 4.383 0.053 20 0 "[ . 1 . 2]" 1
498 1 45 TYR QD 1 50 HIS HE1 . . 3.780 3.465 2.844 3.853 0.073 20 0 "[ . 1 . 2]" 1
499 1 46 ARG H 1 46 ARG QG . . 3.850 3.271 2.508 4.027 0.177 10 0 "[ . 1 . 2]" 1
500 1 46 ARG HA 1 46 ARG QD . . 4.200 3.675 1.994 4.207 0.007 9 0 "[ . 1 . 2]" 1
501 1 46 ARG HA 1 46 ARG QG . . 3.390 2.428 2.311 2.888 . 0 0 "[ . 1 . 2]" 1
502 1 47 GLY H 1 48 GLN H . . 4.290 2.439 2.223 2.854 . 0 0 "[ . 1 . 2]" 1
503 1 48 GLN H 1 48 GLN QB . . 3.450 2.459 2.188 2.609 . 0 0 "[ . 1 . 2]" 1
504 1 48 GLN H 1 48 GLN QG . . 4.090 3.010 2.188 3.951 . 0 0 "[ . 1 . 2]" 1
505 1 48 GLN HA 1 48 GLN QG . . 3.780 2.555 2.344 3.046 . 0 0 "[ . 1 . 2]" 1
506 1 48 GLN HA 1 49 GLU H . . 3.160 2.380 2.295 2.456 . 0 0 "[ . 1 . 2]" 1
507 1 48 GLN QB 1 49 GLU H . . 4.060 2.471 2.210 3.213 . 0 0 "[ . 1 . 2]" 1
508 1 48 GLN QG 1 49 GLU H . . 4.680 3.798 3.085 4.419 . 0 0 "[ . 1 . 2]" 1
509 1 49 GLU H 1 49 GLU HB2 . . 4.190 2.626 2.395 3.617 . 0 0 "[ . 1 . 2]" 1
510 1 49 GLU H 1 49 GLU QB . . 3.630 2.521 2.360 2.978 . 0 0 "[ . 1 . 2]" 1
511 1 49 GLU H 1 49 GLU HB3 . . 4.190 3.594 3.063 3.739 . 0 0 "[ . 1 . 2]" 1
512 1 49 GLU H 1 49 GLU HG2 . . 4.430 3.890 3.470 4.207 . 0 0 "[ . 1 . 2]" 1
513 1 49 GLU H 1 49 GLU HG3 . . 4.430 3.088 2.031 3.869 . 0 0 "[ . 1 . 2]" 1
514 1 49 GLU HA 1 49 GLU HG2 . . 3.830 3.447 2.535 4.071 0.241 19 0 "[ . 1 . 2]" 1
515 1 49 GLU HA 1 49 GLU HG3 . . 3.830 2.833 2.533 3.659 . 0 0 "[ . 1 . 2]" 1
516 1 49 GLU HA 1 50 HIS H . . 3.070 2.109 2.015 2.203 . 0 0 "[ . 1 . 2]" 1
517 1 49 GLU QB 1 50 HIS H . . 4.370 2.763 2.430 3.115 . 0 0 "[ . 1 . 2]" 1
518 1 50 HIS H 1 50 HIS HB2 . . 3.990 2.493 2.252 2.605 . 0 0 "[ . 1 . 2]" 1
519 1 50 HIS H 1 50 HIS QB . . 3.490 2.454 2.228 2.558 . 0 0 "[ . 1 . 2]" 1
520 1 50 HIS H 1 50 HIS HB3 . . 3.990 3.674 3.539 3.729 . 0 0 "[ . 1 . 2]" 1
521 1 50 HIS H 1 50 HIS HD2 . . 4.260 2.915 2.530 3.760 . 0 0 "[ . 1 . 2]" 1
522 1 50 HIS H 1 51 CYS H . . 4.660 4.523 4.357 4.586 . 0 0 "[ . 1 . 2]" 1
523 1 50 HIS HA 1 51 CYS H . . 3.360 2.375 2.280 2.523 . 0 0 "[ . 1 . 2]" 1
524 1 50 HIS QB 1 51 CYS H . . 4.410 2.570 2.492 2.738 . 0 0 "[ . 1 . 2]" 1
525 1 51 CYS H 1 51 CYS HB2 . . 3.950 3.725 3.048 3.952 0.002 20 0 "[ . 1 . 2]" 1
526 1 51 CYS H 1 51 CYS QB . . 3.420 3.053 2.461 3.221 . 0 0 "[ . 1 . 2]" 1
527 1 51 CYS H 1 51 CYS HB3 . . 3.950 3.244 2.597 3.451 . 0 0 "[ . 1 . 2]" 1
528 1 51 CYS H 1 52 LEU H . . 4.510 4.211 4.127 4.347 . 0 0 "[ . 1 . 2]" 1
529 1 51 CYS HA 1 52 LEU H . . 3.240 2.082 2.023 2.136 . 0 0 "[ . 1 . 2]" 1
530 1 51 CYS HA 1 52 LEU QB . . 4.510 4.079 3.742 4.436 . 0 0 "[ . 1 . 2]" 1
531 1 52 LEU H 1 52 LEU QB . . 3.480 2.454 2.292 2.606 . 0 0 "[ . 1 . 2]" 1
532 1 52 LEU H 1 52 LEU QD . . 4.410 3.649 2.204 3.904 . 0 0 "[ . 1 . 2]" 1
533 1 52 LEU H 1 52 LEU HG . . 4.770 3.802 2.665 4.665 . 0 0 "[ . 1 . 2]" 1
534 1 52 LEU HA 1 52 LEU QD . . 3.370 2.167 1.970 3.008 . 0 0 "[ . 1 . 2]" 1
535 1 52 LEU HA 1 52 LEU HG . . 4.210 2.940 2.627 3.346 . 0 0 "[ . 1 . 2]" 1
536 1 52 LEU HA 1 53 HIS H . . 3.150 2.100 1.990 2.246 . 0 0 "[ . 1 . 2]" 1
537 1 52 LEU QB 1 53 HIS H . . 3.850 3.121 2.631 3.706 . 0 0 "[ . 1 . 2]" 1
538 1 52 LEU HB2 1 59 THR MG . . 4.120 3.477 2.319 4.204 0.084 5 0 "[ . 1 . 2]" 1
539 1 52 LEU HB3 1 59 THR MG . . 4.120 2.763 2.101 3.394 . 0 0 "[ . 1 . 2]" 1
540 1 52 LEU QD 1 53 HIS H . . 4.490 2.605 1.940 4.095 . 0 0 "[ . 1 . 2]" 1
541 1 52 LEU QD 1 59 THR HA . . 3.750 2.806 2.060 3.347 . 0 0 "[ . 1 . 2]" 1
542 1 52 LEU QD 1 59 THR MG . . 3.470 2.165 1.794 2.731 . 0 0 "[ . 1 . 2]" 1
543 1 52 LEU QD 1 62 PHE QB . . 4.350 3.177 2.615 3.749 . 0 0 "[ . 1 . 2]" 1
544 1 52 LEU QD 1 62 PHE QD . . 4.250 3.050 2.281 3.982 . 0 0 "[ . 1 . 2]" 1
545 1 52 LEU MD1 1 59 THR HA . . 4.360 3.569 2.862 4.497 0.137 1 0 "[ . 1 . 2]" 1
546 1 52 LEU MD1 1 59 THR MG . . 4.130 2.804 1.950 3.772 . 0 0 "[ . 1 . 2]" 1
547 1 52 LEU MD2 1 59 THR HA . . 4.360 3.483 2.087 4.412 0.052 11 0 "[ . 1 . 2]" 1
548 1 52 LEU MD2 1 59 THR MG . . 4.130 2.755 1.895 3.960 . 0 0 "[ . 1 . 2]" 1
549 1 52 LEU HG 1 53 HIS H . . 4.360 3.890 2.803 4.559 0.199 9 0 "[ . 1 . 2]" 1
550 1 53 HIS H 1 53 HIS HB2 . . 3.450 2.650 2.528 2.841 . 0 0 "[ . 1 . 2]" 1
551 1 53 HIS H 1 53 HIS HB3 . . 3.450 2.573 2.308 2.728 . 0 0 "[ . 1 . 2]" 1
552 1 53 HIS H 1 54 PRO QD . . 4.430 4.193 4.006 4.266 . 0 0 "[ . 1 . 2]" 1
553 1 53 HIS H 1 56 LEU QD . . 4.090 3.609 2.720 4.105 0.015 5 0 "[ . 1 . 2]" 1
554 1 53 HIS HA 1 53 HIS HD2 . . 4.680 3.013 2.582 4.747 0.067 7 0 "[ . 1 . 2]" 1
555 1 53 HIS HA 1 54 PRO HD2 . . 3.210 2.106 1.996 2.199 . 0 0 "[ . 1 . 2]" 1
556 1 53 HIS HA 1 54 PRO QD . . 2.790 1.956 1.905 1.996 . 0 0 "[ . 1 . 2]" 1
557 1 53 HIS HA 1 54 PRO HD3 . . 3.210 2.333 2.250 2.430 . 0 0 "[ . 1 . 2]" 1
558 1 53 HIS QB 1 53 HIS HD2 . . 3.440 2.886 2.546 3.026 . 0 0 "[ . 1 . 2]" 1
559 1 53 HIS QB 1 56 LEU QD . . 3.730 3.008 2.535 3.515 . 0 0 "[ . 1 . 2]" 1
560 1 53 HIS HE1 1 55 LYS H . . 4.110 4.106 3.745 4.241 0.131 8 0 "[ . 1 . 2]" 1
561 1 53 HIS HE1 1 55 LYS HB2 . . 4.040 2.505 2.226 2.886 . 0 0 "[ . 1 . 2]" 1
562 1 53 HIS HE1 1 55 LYS QB . . 3.170 2.419 2.121 2.798 . 0 0 "[ . 1 . 2]" 1
563 1 53 HIS HE1 1 55 LYS HB3 . . 4.040 3.456 2.182 4.017 . 0 0 "[ . 1 . 2]" 1
564 1 53 HIS HE1 1 55 LYS QD . . 4.030 3.375 2.097 4.241 0.211 18 0 "[ . 1 . 2]" 1
565 1 53 HIS HE1 1 55 LYS HG2 . . 3.980 2.786 2.257 3.400 . 0 0 "[ . 1 . 2]" 1
566 1 53 HIS HE1 1 55 LYS QG . . 3.480 2.303 2.003 2.699 . 0 0 "[ . 1 . 2]" 1
567 1 53 HIS HE1 1 55 LYS HG3 . . 3.980 3.174 2.029 4.140 0.160 2 0 "[ . 1 . 2]" 1
568 1 54 PRO HA 1 56 LEU H . . 4.090 3.485 3.226 3.596 . 0 0 "[ . 1 . 2]" 1
569 1 54 PRO HA 1 59 THR HB . . 3.770 2.928 2.156 3.403 . 0 0 "[ . 1 . 2]" 1
570 1 54 PRO HA 1 59 THR MG . . 3.130 2.057 1.816 2.655 . 0 0 "[ . 1 . 2]" 1
571 1 54 PRO QB 1 55 LYS H . . 3.620 3.659 3.582 3.738 0.118 8 0 "[ . 1 . 2]" 1
572 1 54 PRO HB2 1 59 THR MG . . 4.850 4.193 3.774 4.857 0.007 19 0 "[ . 1 . 2]" 1
573 1 54 PRO HB3 1 59 THR MG . . 4.850 3.292 2.610 4.077 . 0 0 "[ . 1 . 2]" 1
574 1 54 PRO QD 1 55 LYS H . . 4.290 3.111 2.767 3.368 . 0 0 "[ . 1 . 2]" 1
575 1 54 PRO QG 1 55 LYS H . . 4.860 3.252 2.939 3.536 . 0 0 "[ . 1 . 2]" 1
576 1 55 LYS H 1 55 LYS HB2 . . 4.200 2.389 2.237 2.525 . 0 0 "[ . 1 . 2]" 1
577 1 55 LYS H 1 55 LYS QB . . 3.390 2.343 2.152 2.479 . 0 0 "[ . 1 . 2]" 1
578 1 55 LYS H 1 55 LYS HB3 . . 4.200 3.539 2.376 3.665 . 0 0 "[ . 1 . 2]" 1
579 1 55 LYS H 1 55 LYS HG2 . . 4.500 3.335 2.193 4.407 . 0 0 "[ . 1 . 2]" 1
580 1 55 LYS H 1 55 LYS QG . . 3.870 3.068 2.173 3.908 0.038 18 0 "[ . 1 . 2]" 1
581 1 55 LYS H 1 55 LYS HG3 . . 4.500 3.914 3.514 4.366 . 0 0 "[ . 1 . 2]" 1
582 1 55 LYS H 1 56 LEU H . . 3.360 2.420 2.283 2.664 . 0 0 "[ . 1 . 2]" 1
583 1 55 LYS H 1 56 LEU HG . . 4.450 3.801 3.558 4.100 . 0 0 "[ . 1 . 2]" 1
584 1 55 LYS HA 1 55 LYS HD2 . . 3.680 2.742 2.044 3.613 . 0 0 "[ . 1 . 2]" 1
585 1 55 LYS HA 1 55 LYS QD . . 3.030 2.132 1.832 2.487 . 0 0 "[ . 1 . 2]" 1
586 1 55 LYS HA 1 55 LYS HD3 . . 3.680 2.883 1.844 3.840 0.160 2 0 "[ . 1 . 2]" 1
587 1 55 LYS HA 1 55 LYS QE . . 3.460 3.559 3.017 3.654 0.194 13 0 "[ . 1 . 2]" 1
588 1 55 LYS HA 1 55 LYS HG2 . . 3.550 3.278 2.776 3.700 0.150 18 0 "[ . 1 . 2]" 1
589 1 55 LYS HA 1 55 LYS QG . . 3.110 2.593 2.326 2.871 . 0 0 "[ . 1 . 2]" 1
590 1 55 LYS HA 1 55 LYS HG3 . . 3.550 3.006 2.357 3.707 0.157 5 0 "[ . 1 . 2]" 1
591 1 55 LYS QB 1 55 LYS QD . . 2.450 2.397 2.287 2.586 0.136 18 0 "[ . 1 . 2]" 1
592 1 55 LYS QB 1 55 LYS QE . . 4.440 3.522 1.885 3.874 . 0 0 "[ . 1 . 2]" 1
593 1 55 LYS QB 1 56 LEU H . . 3.650 3.199 3.050 3.352 . 0 0 "[ . 1 . 2]" 1
594 1 55 LYS QD 1 55 LYS QG . . 2.280 2.062 1.967 2.094 . 0 0 "[ . 1 . 2]" 1
595 1 55 LYS QE 1 55 LYS QG . . 3.090 2.169 2.029 2.425 . 0 0 "[ . 1 . 2]" 1
596 1 56 LEU H 1 56 LEU HB2 . . 3.970 2.437 2.403 2.472 . 0 0 "[ . 1 . 2]" 1
597 1 56 LEU H 1 56 LEU QB . . 3.220 2.400 2.368 2.432 . 0 0 "[ . 1 . 2]" 1
598 1 56 LEU H 1 56 LEU HB3 . . 3.970 3.597 3.571 3.639 . 0 0 "[ . 1 . 2]" 1
599 1 56 LEU H 1 56 LEU MD1 . . 4.250 3.707 3.578 3.807 . 0 0 "[ . 1 . 2]" 1
600 1 56 LEU H 1 56 LEU MD2 . . 4.250 3.485 3.358 3.598 . 0 0 "[ . 1 . 2]" 1
601 1 56 LEU H 1 56 LEU HG . . 3.380 2.500 2.281 2.669 . 0 0 "[ . 1 . 2]" 1
602 1 56 LEU H 1 59 THR HB . . 4.110 3.587 3.118 4.112 0.002 14 0 "[ . 1 . 2]" 1
603 1 56 LEU H 1 60 LYS QE . . 4.430 4.140 3.867 4.516 0.086 19 0 "[ . 1 . 2]" 1
604 1 56 LEU HA 1 56 LEU MD1 . . 4.510 3.870 3.822 3.897 . 0 0 "[ . 1 . 2]" 1
605 1 56 LEU HA 1 56 LEU QD . . 3.180 2.074 2.004 2.125 . 0 0 "[ . 1 . 2]" 1
606 1 56 LEU HA 1 56 LEU MD2 . . 4.510 2.082 2.011 2.135 . 0 0 "[ . 1 . 2]" 1
607 1 56 LEU HA 1 56 LEU HG . . 3.840 3.149 3.061 3.198 . 0 0 "[ . 1 . 2]" 1
608 1 56 LEU QB 1 59 THR H . . 3.260 2.642 2.375 2.929 . 0 0 "[ . 1 . 2]" 1
609 1 56 LEU HB2 1 59 THR H . . 3.760 2.818 2.518 3.129 . 0 0 "[ . 1 . 2]" 1
610 1 56 LEU HB3 1 59 THR H . . 3.760 3.208 2.885 3.528 . 0 0 "[ . 1 . 2]" 1
611 1 56 LEU QD 1 59 THR H . . 4.200 4.000 3.669 4.223 0.023 1 0 "[ . 1 . 2]" 1
612 1 57 GLN HA 1 57 GLN QG . . 3.810 2.861 2.415 3.569 . 0 0 "[ . 1 . 2]" 1
613 1 57 GLN HA 1 60 LYS H . . 4.300 3.223 2.915 3.521 . 0 0 "[ . 1 . 2]" 1
614 1 57 GLN HA 1 60 LYS QB . . 3.230 3.088 2.302 3.287 0.057 15 0 "[ . 1 . 2]" 1
615 1 57 GLN HA 1 60 LYS QE . . 3.810 3.617 3.309 3.838 0.028 7 0 "[ . 1 . 2]" 1
616 1 58 SER HA 1 61 ARG H . . 4.120 3.511 3.278 3.800 . 0 0 "[ . 1 . 2]" 1
617 1 58 SER HA 1 61 ARG QB . . 4.310 3.224 2.260 3.724 . 0 0 "[ . 1 . 2]" 1
618 1 58 SER HA 1 61 ARG QD . . 4.880 3.711 2.708 4.969 0.089 12 0 "[ . 1 . 2]" 1
619 1 58 SER HA 1 62 PHE H . . 4.420 4.323 3.964 4.462 0.042 5 0 "[ . 1 . 2]" 1
620 1 59 THR H 1 59 THR HB . . 3.460 2.545 2.405 2.673 . 0 0 "[ . 1 . 2]" 1
621 1 59 THR H 1 60 LYS H . . 3.440 2.673 2.546 2.790 . 0 0 "[ . 1 . 2]" 1
622 1 59 THR HA 1 59 THR MG . . 3.450 2.326 2.253 2.415 . 0 0 "[ . 1 . 2]" 1
623 1 59 THR HA 1 62 PHE H . . 3.940 3.468 3.098 3.823 . 0 0 "[ . 1 . 2]" 1
624 1 59 THR HA 1 62 PHE HB2 . . 4.190 3.238 2.696 4.005 . 0 0 "[ . 1 . 2]" 1
625 1 59 THR HA 1 62 PHE QB . . 3.550 2.666 2.342 3.063 . 0 0 "[ . 1 . 2]" 1
626 1 59 THR HA 1 62 PHE HB3 . . 4.190 2.850 2.477 3.230 . 0 0 "[ . 1 . 2]" 1
627 1 59 THR HA 1 63 ILE H . . 4.040 4.016 3.804 4.137 0.097 19 0 "[ . 1 . 2]" 1
628 1 59 THR HB 1 60 LYS H . . 3.620 2.623 2.383 2.796 . 0 0 "[ . 1 . 2]" 1
629 1 59 THR MG 1 60 LYS H . . 4.720 3.645 3.393 3.819 . 0 0 "[ . 1 . 2]" 1
630 1 60 LYS H 1 60 LYS QB . . 3.290 2.405 2.314 2.525 . 0 0 "[ . 1 . 2]" 1
631 1 60 LYS H 1 60 LYS QD . . 4.510 2.229 1.892 3.819 . 0 0 "[ . 1 . 2]" 1
632 1 60 LYS H 1 60 LYS QG . . 3.330 3.200 2.152 3.406 0.076 5 0 "[ . 1 . 2]" 1
633 1 60 LYS H 1 61 ARG H . . 3.510 2.863 2.628 3.019 . 0 0 "[ . 1 . 2]" 1
634 1 60 LYS HA 1 60 LYS HD2 . . 4.140 3.053 2.746 4.360 0.220 19 0 "[ . 1 . 2]" 1
635 1 60 LYS HA 1 60 LYS HD3 . . 4.140 3.913 2.130 4.138 . 0 0 "[ . 1 . 2]" 1
636 1 60 LYS HA 1 60 LYS QE . . 4.720 4.411 3.920 4.736 0.016 19 0 "[ . 1 . 2]" 1
637 1 60 LYS HA 1 60 LYS HG2 . . 3.550 3.496 2.344 3.668 0.118 2 0 "[ . 1 . 2]" 1
638 1 60 LYS HA 1 60 LYS QG . . 3.110 2.400 2.258 3.047 . 0 0 "[ . 1 . 2]" 1
639 1 60 LYS HA 1 60 LYS HG3 . . 3.550 2.534 2.309 3.707 0.157 18 0 "[ . 1 . 2]" 1
640 1 60 LYS HA 1 63 ILE H . . 3.990 3.482 3.268 3.812 . 0 0 "[ . 1 . 2]" 1
641 1 60 LYS HA 1 63 ILE HB . . 3.030 2.963 2.506 3.071 0.041 9 0 "[ . 1 . 2]" 1
642 1 60 LYS HA 1 64 LYS H . . 3.720 3.784 3.692 3.873 0.153 18 0 "[ . 1 . 2]" 1
643 1 60 LYS QB 1 60 LYS HD2 . . 3.260 2.805 2.118 2.963 . 0 0 "[ . 1 . 2]" 1
644 1 60 LYS QB 1 60 LYS QD . . 2.830 2.296 1.965 2.397 . 0 0 "[ . 1 . 2]" 1
645 1 60 LYS QB 1 60 LYS HD3 . . 3.260 2.467 2.326 2.998 . 0 0 "[ . 1 . 2]" 1
646 1 60 LYS QB 1 60 LYS QE . . 4.580 3.743 3.472 3.884 . 0 0 "[ . 1 . 2]" 1
647 1 60 LYS QB 1 61 ARG H . . 3.370 2.710 2.475 2.983 . 0 0 "[ . 1 . 2]" 1
648 1 60 LYS QD 1 60 LYS QG . . 2.210 2.083 2.025 2.096 . 0 0 "[ . 1 . 2]" 1
649 1 61 ARG H 1 61 ARG HB2 . . 3.440 2.327 2.191 2.534 . 0 0 "[ . 1 . 2]" 1
650 1 61 ARG H 1 61 ARG QB . . 3.000 2.274 2.126 2.388 . 0 0 "[ . 1 . 2]" 1
651 1 61 ARG H 1 61 ARG HB3 . . 3.440 3.383 2.547 3.593 0.153 13 0 "[ . 1 . 2]" 1
652 1 61 ARG H 1 61 ARG QD . . 4.750 2.688 2.022 4.730 . 0 0 "[ . 1 . 2]" 1
653 1 61 ARG H 1 61 ARG HG2 . . 4.500 4.243 4.025 4.520 0.020 19 0 "[ . 1 . 2]" 1
654 1 61 ARG H 1 61 ARG QG . . 3.900 3.615 3.340 3.987 0.087 4 0 "[ . 1 . 2]" 1
655 1 61 ARG H 1 61 ARG HG3 . . 4.500 3.925 3.541 4.461 . 0 0 "[ . 1 . 2]" 1
656 1 61 ARG H 1 62 PHE H . . 3.440 2.641 2.444 2.743 . 0 0 "[ . 1 . 2]" 1
657 1 61 ARG HA 1 61 ARG QG . . 3.440 2.367 2.209 2.853 . 0 0 "[ . 1 . 2]" 1
658 1 61 ARG HA 1 64 LYS QB . . 3.010 2.858 2.361 3.113 0.103 17 0 "[ . 1 . 2]" 1
659 1 61 ARG QB 1 61 ARG QG . . 2.350 1.993 1.953 2.059 . 0 0 "[ . 1 . 2]" 1
660 1 61 ARG QB 1 62 PHE H . . 3.440 2.577 2.218 2.890 . 0 0 "[ . 1 . 2]" 1
661 1 61 ARG QB 1 65 TRP HD1 . . 4.260 3.675 2.979 4.396 0.136 19 0 "[ . 1 . 2]" 1
662 1 61 ARG HB2 1 62 PHE H . . 3.940 2.941 2.502 3.636 . 0 0 "[ . 1 . 2]" 1
663 1 61 ARG HB3 1 62 PHE H . . 3.940 3.126 2.238 3.544 . 0 0 "[ . 1 . 2]" 1
664 1 61 ARG QG 1 65 TRP HD1 . . 3.850 3.597 2.273 3.953 0.103 18 0 "[ . 1 . 2]" 1
665 1 61 ARG HG2 1 65 TRP HD1 . . 4.420 4.303 2.346 4.544 0.124 3 0 "[ . 1 . 2]" 1
666 1 61 ARG HG3 1 65 TRP HD1 . . 4.420 3.965 2.293 4.445 0.025 13 0 "[ . 1 . 2]" 1
667 1 62 PHE H 1 62 PHE HB2 . . 3.520 2.331 2.251 2.487 . 0 0 "[ . 1 . 2]" 1
668 1 62 PHE H 1 62 PHE QB . . 3.030 2.188 2.146 2.278 . 0 0 "[ . 1 . 2]" 1
669 1 62 PHE H 1 62 PHE HB3 . . 3.520 2.659 2.523 2.749 . 0 0 "[ . 1 . 2]" 1
670 1 62 PHE H 1 63 ILE H . . 3.230 2.729 2.597 2.854 . 0 0 "[ . 1 . 2]" 1
671 1 62 PHE HA 1 62 PHE QD . . 4.120 2.752 2.238 3.053 . 0 0 "[ . 1 . 2]" 1
672 1 62 PHE HA 1 65 TRP H . . 3.880 3.711 3.552 3.889 0.009 11 0 "[ . 1 . 2]" 1
673 1 62 PHE HA 1 65 TRP QB . . 3.870 2.744 2.386 3.092 . 0 0 "[ . 1 . 2]" 1
674 1 62 PHE HA 1 66 TYR H . . 4.450 3.863 3.713 4.031 . 0 0 "[ . 1 . 2]" 1
675 1 62 PHE QB 1 63 ILE H . . 3.830 2.480 2.383 2.663 . 0 0 "[ . 1 . 2]" 1
676 1 62 PHE QB 1 64 LYS H . . 4.640 4.751 4.689 4.783 0.143 8 0 "[ . 1 . 2]" 1
677 1 62 PHE QD 1 63 ILE H . . 4.650 3.867 3.625 4.356 . 0 0 "[ . 1 . 2]" 1
678 1 63 ILE H 1 63 ILE HB . . 3.450 2.573 2.407 2.669 . 0 0 "[ . 1 . 2]" 1
679 1 63 ILE H 1 63 ILE MD . . 4.240 2.981 2.756 3.128 . 0 0 "[ . 1 . 2]" 1
680 1 63 ILE H 1 63 ILE QG . . 2.890 2.165 2.090 2.265 . 0 0 "[ . 1 . 2]" 1
681 1 63 ILE H 1 63 ILE MG . . 3.770 3.778 3.709 3.822 0.052 18 0 "[ . 1 . 2]" 1
682 1 63 ILE H 1 64 LYS H . . 3.230 2.609 2.426 2.748 . 0 0 "[ . 1 . 2]" 1
683 1 63 ILE H 1 64 LYS QE . . 4.620 4.455 4.064 4.796 0.176 1 0 "[ . 1 . 2]" 1
684 1 63 ILE HA 1 63 ILE MD . . 3.820 1.976 1.913 2.037 . 0 0 "[ . 1 . 2]" 1
685 1 63 ILE HA 1 63 ILE QG . . 3.360 3.027 2.962 3.080 . 0 0 "[ . 1 . 2]" 1
686 1 63 ILE HA 1 63 ILE MG . . 3.340 2.388 2.338 2.478 . 0 0 "[ . 1 . 2]" 1
687 1 63 ILE HA 1 66 TYR H . . 4.150 3.452 3.312 3.579 . 0 0 "[ . 1 . 2]" 1
688 1 63 ILE HA 1 66 TYR HB2 . . 4.290 3.748 3.453 4.065 . 0 0 "[ . 1 . 2]" 1
689 1 63 ILE HA 1 66 TYR QB . . 3.510 2.807 2.542 3.017 . 0 0 "[ . 1 . 2]" 1
690 1 63 ILE HA 1 66 TYR HB3 . . 4.290 2.902 2.583 3.111 . 0 0 "[ . 1 . 2]" 1
691 1 63 ILE HA 1 66 TYR QD . . 4.540 4.460 3.951 4.555 0.015 12 0 "[ . 1 . 2]" 1
692 1 63 ILE HA 1 67 ASN H . . 4.670 4.143 3.849 4.435 . 0 0 "[ . 1 . 2]" 1
693 1 63 ILE HB 1 63 ILE MD . . 3.530 3.211 3.192 3.237 . 0 0 "[ . 1 . 2]" 1
694 1 63 ILE HB 1 64 LYS H . . 3.740 2.373 2.242 2.568 . 0 0 "[ . 1 . 2]" 1
695 1 63 ILE MD 1 63 ILE MG . . 2.490 2.081 1.973 2.256 . 0 0 "[ . 1 . 2]" 1
696 1 63 ILE MD 1 66 TYR H . . 4.720 4.798 4.637 4.865 0.145 14 0 "[ . 1 . 2]" 1
697 1 63 ILE QG 1 63 ILE MG . . 2.600 2.263 2.234 2.306 . 0 0 "[ . 1 . 2]" 1
698 1 63 ILE QG 1 64 LYS H . . 4.780 3.825 3.723 3.978 . 0 0 "[ . 1 . 2]" 1
699 1 63 ILE MG 1 64 LYS H . . 3.580 3.295 3.164 3.376 . 0 0 "[ . 1 . 2]" 1
700 1 63 ILE MG 1 65 TRP H . . 4.740 4.791 4.769 4.819 0.079 1 0 "[ . 1 . 2]" 1
701 1 63 ILE MG 1 66 TYR QD . . 4.580 4.478 4.019 4.619 0.039 3 0 "[ . 1 . 2]" 1
702 1 63 ILE MG 1 67 ASN H . . 4.460 4.137 3.972 4.347 . 0 0 "[ . 1 . 2]" 1
703 1 63 ILE MG 1 67 ASN HD21 . . 3.820 2.920 2.290 3.831 0.011 13 0 "[ . 1 . 2]" 1
704 1 63 ILE MG 1 67 ASN HD22 . . 3.820 2.722 2.335 3.979 0.159 18 0 "[ . 1 . 2]" 1
705 1 64 LYS H 1 64 LYS QB . . 2.960 2.372 2.022 2.685 . 0 0 "[ . 1 . 2]" 1
706 1 64 LYS H 1 64 LYS HG2 . . 4.460 3.906 2.205 4.366 . 0 0 "[ . 1 . 2]" 1
707 1 64 LYS H 1 64 LYS QG . . 3.760 3.370 1.986 3.906 0.146 1 0 "[ . 1 . 2]" 1
708 1 64 LYS H 1 64 LYS HG3 . . 4.460 3.857 1.999 4.404 . 0 0 "[ . 1 . 2]" 1
709 1 64 LYS H 1 65 TRP H . . 3.400 2.551 2.408 2.697 . 0 0 "[ . 1 . 2]" 1
710 1 64 LYS HA 1 64 LYS QD . . 3.930 3.065 1.900 3.933 0.003 14 0 "[ . 1 . 2]" 1
711 1 64 LYS HA 1 64 LYS QE . . 4.310 3.067 1.846 4.471 0.161 14 0 "[ . 1 . 2]" 1
712 1 64 LYS HA 1 64 LYS HG2 . . 3.860 3.542 2.404 3.812 . 0 0 "[ . 1 . 2]" 1
713 1 64 LYS HA 1 64 LYS QG . . 3.200 2.561 2.252 3.149 . 0 0 "[ . 1 . 2]" 1
714 1 64 LYS HA 1 64 LYS HG3 . . 3.860 2.718 2.329 3.899 0.039 18 0 "[ . 1 . 2]" 1
715 1 64 LYS HA 1 67 ASN H . . 4.300 3.437 3.096 3.880 . 0 0 "[ . 1 . 2]" 1
716 1 64 LYS HA 1 67 ASN HB2 . . 4.460 2.797 2.146 3.071 . 0 0 "[ . 1 . 2]" 1
717 1 64 LYS HA 1 67 ASN QB . . 3.630 2.747 2.031 2.918 . 0 0 "[ . 1 . 2]" 1
718 1 64 LYS HA 1 67 ASN HB3 . . 4.460 4.206 2.512 4.496 0.036 8 0 "[ . 1 . 2]" 1
719 1 64 LYS HA 1 68 ALA H . . 4.760 4.498 3.972 4.786 0.026 11 0 "[ . 1 . 2]" 1
720 1 64 LYS QB 1 64 LYS QD . . 3.290 2.510 2.129 2.815 . 0 0 "[ . 1 . 2]" 1
721 1 64 LYS QB 1 64 LYS QE . . 3.920 2.942 1.911 3.742 . 0 0 "[ . 1 . 2]" 1
722 1 64 LYS QB 1 65 TRP H . . 3.710 2.836 2.427 3.089 . 0 0 "[ . 1 . 2]" 1
723 1 65 TRP H 1 65 TRP HB2 . . 4.210 2.169 2.043 2.245 . 0 0 "[ . 1 . 2]" 1
724 1 65 TRP H 1 65 TRP HB3 . . 4.210 2.848 2.779 3.001 . 0 0 "[ . 1 . 2]" 1
725 1 65 TRP H 1 66 TYR H . . 3.620 2.512 2.403 2.664 . 0 0 "[ . 1 . 2]" 1
726 1 65 TRP H 1 67 ASN H . . 4.180 3.890 3.686 4.034 . 0 0 "[ . 1 . 2]" 1
727 1 65 TRP HA 1 65 TRP HD1 . . 3.710 3.658 3.420 3.730 0.020 6 0 "[ . 1 . 2]" 1
728 1 65 TRP HA 1 68 ALA H . . 4.020 3.461 3.056 3.659 . 0 0 "[ . 1 . 2]" 1
729 1 65 TRP HA 1 68 ALA MB . . 3.690 2.949 2.563 3.382 . 0 0 "[ . 1 . 2]" 1
730 1 65 TRP HA 1 69 TRP H . . 5.110 4.167 3.868 4.493 . 0 0 "[ . 1 . 2]" 1
731 1 65 TRP QB 1 66 TYR H . . 3.780 2.546 2.356 2.761 . 0 0 "[ . 1 . 2]" 1
732 1 65 TRP HZ3 1 69 TRP HA . . 4.590 3.926 3.312 4.499 . 0 0 "[ . 1 . 2]" 1
733 1 65 TRP HZ3 1 69 TRP HB2 . . 4.260 2.301 1.984 2.660 . 0 0 "[ . 1 . 2]" 1
734 1 65 TRP HZ3 1 69 TRP QB . . 3.730 2.284 1.976 2.631 . 0 0 "[ . 1 . 2]" 1
735 1 65 TRP HZ3 1 69 TRP HB3 . . 4.260 3.879 3.428 4.265 0.005 12 0 "[ . 1 . 2]" 1
736 1 66 TYR H 1 66 TYR HB2 . . 3.600 2.620 2.526 2.694 . 0 0 "[ . 1 . 2]" 1
737 1 66 TYR H 1 66 TYR HB3 . . 3.600 2.591 2.457 2.661 . 0 0 "[ . 1 . 2]" 1
738 1 66 TYR H 1 67 ASN H . . 3.640 2.631 2.475 2.701 . 0 0 "[ . 1 . 2]" 1
739 1 66 TYR H 1 68 ALA H . . 4.320 4.236 4.047 4.338 0.018 20 0 "[ . 1 . 2]" 1
740 1 66 TYR HA 1 66 TYR QD . . 3.520 2.668 2.431 3.032 . 0 0 "[ . 1 . 2]" 1
741 1 66 TYR HA 1 68 ALA H . . 4.400 4.215 4.038 4.402 0.002 19 0 "[ . 1 . 2]" 1
742 1 66 TYR HA 1 69 TRP H . . 4.450 3.228 3.076 3.473 . 0 0 "[ . 1 . 2]" 1
743 1 66 TYR HA 1 69 TRP HB2 . . 4.470 3.322 2.924 3.868 . 0 0 "[ . 1 . 2]" 1
744 1 66 TYR HA 1 69 TRP QB . . 3.650 2.037 1.907 2.283 . 0 0 "[ . 1 . 2]" 1
745 1 66 TYR HA 1 69 TRP HB3 . . 4.470 2.057 1.927 2.300 . 0 0 "[ . 1 . 2]" 1
746 1 66 TYR HA 1 69 TRP HD1 . . 4.370 3.318 2.562 4.069 . 0 0 "[ . 1 . 2]" 1
747 1 66 TYR HA 1 70 ASN H . . 5.140 3.679 3.466 3.947 . 0 0 "[ . 1 . 2]" 1
748 1 66 TYR QB 1 67 ASN H . . 3.040 2.726 2.611 2.809 . 0 0 "[ . 1 . 2]" 1
749 1 66 TYR QD 1 67 ASN H . . 4.070 3.779 3.482 4.020 . 0 0 "[ . 1 . 2]" 1
750 1 66 TYR QD 1 69 TRP HD1 . . 3.300 2.578 2.045 3.182 . 0 0 "[ . 1 . 2]" 1
751 1 66 TYR QD 1 70 ASN QB . . 4.330 3.499 2.983 4.294 . 0 0 "[ . 1 . 2]" 1
752 1 67 ASN H 1 67 ASN HB2 . . 3.900 2.413 2.124 2.574 . 0 0 "[ . 1 . 2]" 1
753 1 67 ASN H 1 67 ASN QB . . 3.310 2.372 2.063 2.526 . 0 0 "[ . 1 . 2]" 1
754 1 67 ASN H 1 67 ASN HB3 . . 3.900 3.520 2.766 3.662 . 0 0 "[ . 1 . 2]" 1
755 1 67 ASN H 1 68 ALA H . . 3.370 2.753 2.615 2.859 . 0 0 "[ . 1 . 2]" 1
756 1 67 ASN HA 1 70 ASN H . . 4.810 3.527 3.142 3.982 . 0 0 "[ . 1 . 2]" 1
757 1 67 ASN HA 1 70 ASN HB2 . . 3.920 3.426 2.795 3.957 0.037 18 0 "[ . 1 . 2]" 1
758 1 67 ASN HA 1 70 ASN QB . . 3.380 2.686 2.207 3.205 . 0 0 "[ . 1 . 2]" 1
759 1 67 ASN HA 1 70 ASN HB3 . . 3.920 2.817 2.311 3.399 . 0 0 "[ . 1 . 2]" 1
760 1 67 ASN HA 1 71 GLU H . . 4.700 4.309 3.927 4.767 0.067 2 0 "[ . 1 . 2]" 1
761 1 67 ASN QB 1 68 ALA H . . 3.250 2.670 2.322 2.867 . 0 0 "[ . 1 . 2]" 1
762 1 67 ASN HB2 1 68 ALA H . . 3.740 2.919 2.598 3.499 . 0 0 "[ . 1 . 2]" 1
763 1 67 ASN HB3 1 68 ALA H . . 3.740 3.418 2.359 3.754 0.014 13 0 "[ . 1 . 2]" 1
764 1 68 ALA H 1 68 ALA MB . . 3.010 2.245 2.222 2.263 . 0 0 "[ . 1 . 2]" 1
765 1 68 ALA H 1 69 TRP H . . 3.440 2.539 2.438 2.676 . 0 0 "[ . 1 . 2]" 1
766 1 68 ALA HA 1 71 GLU H . . 3.890 3.517 3.189 3.711 . 0 0 "[ . 1 . 2]" 1
767 1 68 ALA HA 1 71 GLU QB . . 3.550 2.957 2.382 3.423 . 0 0 "[ . 1 . 2]" 1
768 1 68 ALA MB 1 69 TRP H . . 3.740 2.378 2.235 2.560 . 0 0 "[ . 1 . 2]" 1
769 1 69 TRP H 1 69 TRP HB2 . . 3.670 2.672 2.526 2.827 . 0 0 "[ . 1 . 2]" 1
770 1 69 TRP H 1 69 TRP HB3 . . 3.670 2.259 2.097 2.355 . 0 0 "[ . 1 . 2]" 1
771 1 69 TRP H 1 70 ASN H . . 3.630 2.764 2.648 2.851 . 0 0 "[ . 1 . 2]" 1
772 1 69 TRP H 1 71 GLU H . . 4.490 4.195 4.046 4.333 . 0 0 "[ . 1 . 2]" 1
773 1 69 TRP HA 1 72 LYS H . . 3.310 3.323 3.156 3.426 0.116 16 0 "[ . 1 . 2]" 1
774 1 69 TRP HA 1 72 LYS HB2 . . 4.530 2.888 2.440 3.330 . 0 0 "[ . 1 . 2]" 1
775 1 69 TRP HA 1 72 LYS QB . . 3.960 2.594 2.170 2.954 . 0 0 "[ . 1 . 2]" 1
776 1 69 TRP HA 1 72 LYS HB3 . . 4.530 3.663 2.205 4.589 0.059 1 0 "[ . 1 . 2]" 1
777 1 69 TRP QB 1 70 ASN H . . 3.600 2.614 2.468 2.832 . 0 0 "[ . 1 . 2]" 1
778 1 69 TRP HB2 1 70 ASN H . . 4.320 3.975 3.864 4.118 . 0 0 "[ . 1 . 2]" 1
779 1 69 TRP HB3 1 70 ASN H . . 4.320 2.652 2.497 2.885 . 0 0 "[ . 1 . 2]" 1
780 1 69 TRP HH2 1 73 ARG QD . . 4.510 4.532 4.348 4.590 0.080 14 0 "[ . 1 . 2]" 1
781 1 69 TRP HZ2 1 73 ARG QD . . 4.570 3.153 2.710 3.489 . 0 0 "[ . 1 . 2]" 1
782 1 70 ASN H 1 70 ASN HB2 . . 3.710 2.506 2.359 2.667 . 0 0 "[ . 1 . 2]" 1
783 1 70 ASN H 1 70 ASN QB . . 3.160 2.242 2.206 2.299 . 0 0 "[ . 1 . 2]" 1
784 1 70 ASN H 1 70 ASN HB3 . . 3.710 2.536 2.460 2.652 . 0 0 "[ . 1 . 2]" 1
785 1 70 ASN H 1 71 GLU H . . 3.550 2.688 2.620 2.762 . 0 0 "[ . 1 . 2]" 1
786 1 70 ASN HA 1 73 ARG H . . 4.210 3.529 3.107 3.856 . 0 0 "[ . 1 . 2]" 1
787 1 70 ASN HA 1 73 ARG HB2 . . 4.950 3.534 2.539 4.999 0.049 6 0 "[ . 1 . 2]" 1
788 1 70 ASN HA 1 73 ARG QB . . 4.230 3.218 2.342 4.252 0.022 4 0 "[ . 1 . 2]" 1
789 1 70 ASN HA 1 73 ARG HB3 . . 4.950 4.383 2.461 4.926 . 0 0 "[ . 1 . 2]" 1
790 1 70 ASN HA 1 73 ARG HD2 . . 4.510 3.975 2.731 4.551 0.041 1 0 "[ . 1 . 2]" 1
791 1 70 ASN HA 1 73 ARG HD3 . . 4.510 2.924 2.106 4.540 0.030 16 0 "[ . 1 . 2]" 1
792 1 70 ASN HA 1 73 ARG QG . . 4.250 3.129 2.107 4.135 . 0 0 "[ . 1 . 2]" 1
793 1 70 ASN QB 1 71 GLU H . . 3.510 2.588 2.383 2.725 . 0 0 "[ . 1 . 2]" 1
794 1 70 ASN HB2 1 71 GLU H . . 4.080 3.884 3.695 4.002 . 0 0 "[ . 1 . 2]" 1
795 1 70 ASN HB3 1 71 GLU H . . 4.080 2.628 2.412 2.775 . 0 0 "[ . 1 . 2]" 1
796 1 71 GLU H 1 71 GLU QB . . 3.060 2.397 2.204 2.516 . 0 0 "[ . 1 . 2]" 1
797 1 71 GLU H 1 71 GLU HG2 . . 4.490 3.220 2.146 4.468 . 0 0 "[ . 1 . 2]" 1
798 1 71 GLU H 1 71 GLU HG3 . . 4.490 3.395 2.220 4.485 . 0 0 "[ . 1 . 2]" 1
799 1 71 GLU H 1 72 LYS H . . 3.240 2.598 2.434 2.764 . 0 0 "[ . 1 . 2]" 1
800 1 71 GLU HA 1 71 GLU HG2 . . 3.950 2.915 2.477 3.239 . 0 0 "[ . 1 . 2]" 1
801 1 71 GLU HA 1 71 GLU QG . . 3.440 2.663 2.393 3.066 . 0 0 "[ . 1 . 2]" 1
802 1 71 GLU HA 1 71 GLU HG3 . . 3.950 3.248 2.578 3.812 . 0 0 "[ . 1 . 2]" 1
803 1 71 GLU HA 1 74 ARG H . . 4.510 3.401 2.846 3.842 . 0 0 "[ . 1 . 2]" 1
804 1 71 GLU HA 1 74 ARG QB . . 4.540 2.929 1.986 4.634 0.094 8 0 "[ . 1 . 2]" 1
805 1 71 GLU HA 1 75 VAL H . . 4.000 3.841 2.664 4.096 0.096 8 0 "[ . 1 . 2]" 1
806 1 71 GLU QB 1 71 GLU HG2 . . 2.670 2.342 2.304 2.404 . 0 0 "[ . 1 . 2]" 1
807 1 71 GLU QB 1 71 GLU HG3 . . 2.670 2.258 2.151 2.362 . 0 0 "[ . 1 . 2]" 1
808 1 71 GLU QB 1 72 LYS H . . 3.720 2.643 2.436 2.963 . 0 0 "[ . 1 . 2]" 1
809 1 72 LYS H 1 72 LYS QB . . 3.240 2.312 2.148 2.579 . 0 0 "[ . 1 . 2]" 1
810 1 72 LYS H 1 72 LYS QE . . 4.730 3.926 2.656 4.738 0.008 15 0 "[ . 1 . 2]" 1
811 1 72 LYS H 1 72 LYS HG2 . . 4.690 3.704 2.089 4.530 . 0 0 "[ . 1 . 2]" 1
812 1 72 LYS H 1 72 LYS QG . . 3.880 3.239 2.075 3.959 0.079 19 0 "[ . 1 . 2]" 1
813 1 72 LYS H 1 72 LYS HG3 . . 4.690 3.859 2.317 4.409 . 0 0 "[ . 1 . 2]" 1
814 1 72 LYS H 1 73 ARG H . . 3.300 2.569 2.420 2.690 . 0 0 "[ . 1 . 2]" 1
815 1 72 LYS HA 1 72 LYS QD . . 3.320 2.501 2.043 3.625 0.305 3 0 "[ . 1 . 2]" 1
816 1 72 LYS HA 1 72 LYS QE . . 5.500 3.267 1.782 4.346 . 0 0 "[ . 1 . 2]" 1
817 1 72 LYS HA 1 72 LYS QG . . 3.630 2.734 2.169 3.174 . 0 0 "[ . 1 . 2]" 1
818 1 72 LYS QB 1 72 LYS QG . . 2.300 1.996 1.967 2.081 . 0 0 "[ . 1 . 2]" 1
819 1 72 LYS QB 1 73 ARG H . . 3.960 2.819 2.600 3.036 . 0 0 "[ . 1 . 2]" 1
820 1 72 LYS QG 1 73 ARG H . . 4.530 4.195 3.787 4.672 0.142 14 0 "[ . 1 . 2]" 1
821 1 73 ARG H 1 73 ARG HB2 . . 3.890 2.815 2.149 3.725 . 0 0 "[ . 1 . 2]" 1
822 1 73 ARG H 1 73 ARG QB . . 3.360 2.492 2.025 2.856 . 0 0 "[ . 1 . 2]" 1
823 1 73 ARG H 1 73 ARG HB3 . . 3.890 3.323 2.476 3.712 . 0 0 "[ . 1 . 2]" 1
824 1 73 ARG H 1 73 ARG QG . . 3.700 2.434 1.900 3.788 0.088 19 0 "[ . 1 . 2]" 1
825 1 73 ARG H 1 74 ARG H . . 3.670 2.408 2.249 2.671 . 0 0 "[ . 1 . 2]" 1
826 1 73 ARG HA 1 73 ARG QD . . 4.350 4.187 3.408 4.420 0.070 18 0 "[ . 1 . 2]" 1
827 1 73 ARG HA 1 73 ARG QG . . 3.680 2.709 2.353 3.337 . 0 0 "[ . 1 . 2]" 1
828 1 74 ARG H 1 74 ARG QB . . 3.580 2.447 2.114 3.455 . 0 0 "[ . 1 . 2]" 1
829 1 74 ARG H 1 74 ARG QD . . 4.880 4.262 3.574 4.893 0.013 20 0 "[ . 1 . 2]" 1
830 1 74 ARG H 1 74 ARG HG2 . . 4.900 3.993 2.400 4.639 . 0 0 "[ . 1 . 2]" 1
831 1 74 ARG H 1 74 ARG QG . . 4.060 3.357 2.328 4.144 0.084 10 0 "[ . 1 . 2]" 1
832 1 74 ARG H 1 74 ARG HG3 . . 4.900 3.828 2.358 4.730 . 0 0 "[ . 1 . 2]" 1
833 1 74 ARG H 1 75 VAL H . . 2.400 2.334 2.060 2.554 0.154 8 0 "[ . 1 . 2]" 1
834 1 74 ARG HA 1 74 ARG QD . . 4.210 3.843 2.047 4.300 0.090 13 0 "[ . 1 . 2]" 1
835 1 74 ARG HA 1 74 ARG QG . . 3.500 2.663 2.360 3.467 . 0 0 "[ . 1 . 2]" 1
836 1 74 ARG QB 1 74 ARG QD . . 2.990 2.234 2.046 2.772 . 0 0 "[ . 1 . 2]" 1
837 1 74 ARG QB 1 74 ARG HG2 . . 2.730 2.324 2.166 2.382 . 0 0 "[ . 1 . 2]" 1
838 1 74 ARG QB 1 74 ARG QG . . 2.330 2.065 1.989 2.088 . 0 0 "[ . 1 . 2]" 1
839 1 74 ARG QB 1 74 ARG HG3 . . 2.730 2.321 2.133 2.418 . 0 0 "[ . 1 . 2]" 1
840 1 74 ARG QB 1 75 VAL H . . 4.010 2.651 2.094 3.978 . 0 0 "[ . 1 . 2]" 1
841 1 74 ARG QG 1 75 VAL H . . 4.430 3.788 2.920 4.531 0.101 8 0 "[ . 1 . 2]" 1
842 1 75 VAL H 1 75 VAL HB . . 3.630 3.231 2.514 3.726 0.096 10 0 "[ . 1 . 2]" 1
843 1 75 VAL H 1 75 VAL QG . . 3.550 2.380 1.853 2.956 . 0 0 "[ . 1 . 2]" 1
844 1 75 VAL HA 1 76 TYR H . . 3.100 2.226 1.827 3.338 0.238 12 0 "[ . 1 . 2]" 1
845 1 75 VAL HB 1 76 TYR H . . 3.960 3.691 1.815 4.174 0.214 16 0 "[ . 1 . 2]" 1
846 1 75 VAL QG 1 76 TYR H . . 4.280 2.750 2.060 3.458 . 0 0 "[ . 1 . 2]" 1
847 1 76 TYR H 1 76 TYR HB2 . . 3.840 2.736 2.385 3.584 . 0 0 "[ . 1 . 2]" 1
848 1 76 TYR H 1 76 TYR QB . . 3.300 2.483 2.216 2.846 . 0 0 "[ . 1 . 2]" 1
849 1 76 TYR H 1 76 TYR HB3 . . 3.840 3.198 2.476 3.863 0.023 16 0 "[ . 1 . 2]" 1
850 1 76 TYR H 1 76 TYR QD . . 4.220 3.376 2.001 4.318 0.098 12 0 "[ . 1 . 2]" 1
851 1 76 TYR HA 1 76 TYR QD . . 3.320 2.817 2.392 3.610 0.290 15 0 "[ . 1 . 2]" 1
852 1 76 TYR HA 1 77 GLU H . . 3.330 2.248 2.054 3.185 . 0 0 "[ . 1 . 2]" 1
853 1 77 GLU H 1 77 GLU QB . . 3.590 2.690 2.188 3.407 . 0 0 "[ . 1 . 2]" 1
854 1 77 GLU H 1 77 GLU QG . . 4.330 3.175 2.023 4.219 . 0 0 "[ . 1 . 2]" 1
855 1 77 GLU HA 1 77 GLU QG . . 3.820 2.708 2.412 3.368 . 0 0 "[ . 1 . 2]" 1
856 1 77 GLU HA 1 78 GLU H . . 3.240 2.339 1.962 3.398 0.158 10 0 "[ . 1 . 2]" 1
857 1 77 GLU QB 1 77 GLU QG . . 2.260 2.060 1.986 2.090 . 0 0 "[ . 1 . 2]" 1
858 1 77 GLU QB 1 78 GLU H . . 3.630 2.961 1.678 3.781 0.151 1 0 "[ . 1 . 2]" 1
859 1 77 GLU HB2 1 77 GLU QG . . 2.760 2.316 2.145 2.361 . 0 0 "[ . 1 . 2]" 1
860 1 77 GLU HB2 1 78 GLU H . . 4.270 3.665 1.991 4.322 0.052 3 0 "[ . 1 . 2]" 1
861 1 77 GLU HB3 1 77 GLU QG . . 2.760 2.316 2.168 2.375 . 0 0 "[ . 1 . 2]" 1
862 1 77 GLU HB3 1 78 GLU H . . 4.270 3.362 1.683 4.211 . 0 0 "[ . 1 . 2]" 1
863 1 77 GLU QG 1 78 GLU H . . 4.260 3.512 2.111 4.309 0.049 18 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 6, 2024 1:23:58 AM GMT (wattos1)