NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384132 |
1k9c   |
5204 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k9c
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 1157
_Distance_constraint_stats_list.Viol_count 2977
_Distance_constraint_stats_list.Viol_total 5380.695
_Distance_constraint_stats_list.Viol_max 0.994
_Distance_constraint_stats_list.Viol_rms 0.0485
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0904
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.348 0.094 13 0 "[ . 1 . 2]"
1 3 LYS 1.225 0.129 17 0 "[ . 1 . 2]"
1 4 ILE 9.095 0.456 20 0 "[ . 1 . 2]"
1 5 LYS 4.060 0.365 4 0 "[ . 1 . 2]"
1 6 ASP 4.006 0.415 13 0 "[ . 1 . 2]"
1 7 PRO 2.718 0.408 10 0 "[ . 1 . 2]"
1 8 ASP 3.753 0.408 10 0 "[ . 1 . 2]"
1 9 ALA 2.259 0.092 12 0 "[ . 1 . 2]"
1 10 ALA 1.126 0.088 13 0 "[ . 1 . 2]"
1 11 LYS 11.194 0.706 19 4 "[ . -* . +*]"
1 12 PRO 2.040 0.090 8 0 "[ . 1 . 2]"
1 13 GLU 3.389 0.654 11 1 "[ . 1+ . 2]"
1 14 ASP 11.131 0.682 9 4 "[ . +** . -]"
1 15 TRP 9.897 0.682 9 1 "[ . +1 . 2]"
1 16 ASP 6.618 0.994 1 1 "[+ . 1 . 2]"
1 17 GLU 4.507 0.100 16 0 "[ . 1 . 2]"
1 18 ARG 4.356 0.106 12 0 "[ . 1 . 2]"
1 19 ALA 4.890 0.994 1 1 "[+ . 1 . 2]"
1 20 LYS 8.589 0.546 11 3 "[ .- 1+ . * 2]"
1 21 ILE 11.921 0.927 16 3 "[ . 1 - .+ *2]"
1 22 ASP 7.877 0.927 16 3 "[ . 1 * .+ *2]"
1 23 ASP 11.133 0.517 19 1 "[ . 1 . +2]"
1 24 PRO 10.610 0.548 9 1 "[ . +1 . 2]"
1 25 THR 8.792 0.548 9 1 "[ . +1 . 2]"
1 26 ASP 6.522 0.548 9 1 "[ . +1 . 2]"
1 27 SER 5.409 0.166 9 0 "[ . 1 . 2]"
1 28 LYS 3.581 0.509 19 1 "[ . 1 . +2]"
1 29 PRO 1.988 0.509 19 1 "[ . 1 . +2]"
1 30 GLU 3.633 0.097 12 0 "[ . 1 . 2]"
1 31 ASP 3.460 0.095 12 0 "[ . 1 . 2]"
1 32 TRP 9.130 0.112 16 0 "[ . 1 . 2]"
1 33 ASP 1.828 0.091 12 0 "[ . 1 . 2]"
1 34 LYS 11.413 0.444 3 0 "[ . 1 . 2]"
1 35 PRO 2.592 0.249 4 0 "[ . 1 . 2]"
1 36 GLU 2.164 0.098 14 0 "[ . 1 . 2]"
1 37 HIS 3.125 0.100 12 0 "[ . 1 . 2]"
1 38 ILE 6.478 0.482 12 0 "[ . 1 . 2]"
1 39 PRO 2.516 0.482 12 0 "[ . 1 . 2]"
1 40 ASP 7.969 0.765 18 5 "[ * *** 1 . + 2]"
1 41 PRO 5.317 0.434 12 0 "[ . 1 . 2]"
1 42 ASP 6.355 0.434 12 0 "[ . 1 . 2]"
1 43 ALA 7.958 0.673 3 4 "[ + -** 1 . 2]"
1 44 LYS 5.271 0.245 17 0 "[ . 1 . 2]"
1 45 LYS 11.432 0.651 19 3 "[ . -1 . * +2]"
1 46 PRO 7.480 0.095 17 0 "[ . 1 . 2]"
1 47 GLU 2.912 0.148 11 0 "[ . 1 . 2]"
1 48 ASP 2.449 0.145 5 0 "[ . 1 . 2]"
1 49 TRP 15.947 0.403 6 0 "[ . 1 . 2]"
1 50 ASP 13.151 0.819 9 9 "[* ** +1** -. * *]"
1 51 GLU 17.242 0.935 4 9 "[- +* *1** *. * *]"
1 52 GLU 4.312 0.092 11 0 "[ . 1 . 2]"
1 53 MET 7.737 0.340 3 0 "[ . 1 . 2]"
1 54 ASP 1.901 0.079 20 0 "[ . 1 . 2]"
1 55 GLY 5.662 0.877 6 2 "[ .+ 1 .- 2]"
1 56 GLU 15.713 0.935 4 10 "[- +** 1** *.* * *]"
1 57 TRP 15.205 0.369 2 0 "[ . 1 . 2]"
1 58 GLU 8.175 0.703 5 1 "[ + 1 . 2]"
1 59 PRO 7.323 0.703 5 1 "[ + 1 . 2]"
1 60 PRO 4.378 0.550 18 1 "[ . 1 . + 2]"
1 61 VAL 4.202 0.115 5 0 "[ . 1 . 2]"
1 62 ILE 5.873 0.765 18 1 "[ . 1 . + 2]"
1 63 GLN 5.566 0.101 3 0 "[ . 1 . 2]"
1 64 ASN 4.904 0.529 3 1 "[ + . 1 . 2]"
1 65 PRO 1.687 0.110 1 0 "[ . 1 . 2]"
1 66 GLU 0.189 0.103 6 0 "[ . 1 . 2]"
1 67 TYR 10.695 0.529 3 1 "[ + . 1 . 2]"
1 68 LYS 9.969 0.109 2 0 "[ . 1 . 2]"
1 69 GLY 1.017 0.360 5 0 "[ . 1 . 2]"
1 70 GLU 11.913 0.425 18 0 "[ . 1 . 2]"
1 71 TRP 12.153 0.425 18 0 "[ . 1 . 2]"
1 72 LYS 11.558 0.207 14 0 "[ . 1 . 2]"
1 73 PRO 2.250 0.079 8 0 "[ . 1 . 2]"
1 74 ARG 1.521 0.103 7 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 1 SER HA 1 2 LYS QB . . 4.670 4.275 3.751 4.598 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 2 LYS H . . 5.500 3.079 2.221 3.797 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS H 1 2 LYS HG2 . . 5.500 4.302 2.528 5.060 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS HG3 . . 5.500 3.916 2.091 4.940 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 3 LYS H . . 4.290 3.927 2.852 4.384 0.094 13 0 "[ . 1 . 2]" 1
6 1 2 LYS HA 1 2 LYS HG3 . . 3.960 2.689 2.097 3.898 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS HA 1 3 LYS H . . 3.350 2.479 2.125 3.432 0.082 20 0 "[ . 1 . 2]" 1
8 1 2 LYS QB 1 2 LYS QD . . 2.910 2.287 2.093 2.487 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS QB 1 2 LYS QE . . 3.950 2.555 1.911 3.616 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS QB 1 3 LYS H . . 4.710 3.151 1.747 4.106 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS QD 1 2 LYS HG2 . . 2.520 2.346 2.144 2.507 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS QE 1 2 LYS HG2 . . 3.850 2.664 2.276 3.540 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS QE 1 2 LYS HG3 . . 3.720 2.892 2.205 3.516 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS H 1 3 LYS HG2 . . 5.500 3.829 2.827 4.906 . 0 0 "[ . 1 . 2]" 1
15 1 3 LYS H 1 3 LYS HG3 . . 5.500 3.331 2.055 4.685 . 0 0 "[ . 1 . 2]" 1
16 1 3 LYS H 1 4 ILE H . . 5.080 4.300 2.929 4.729 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS HA 1 3 LYS HG3 . . 3.650 3.095 2.240 3.769 0.119 15 0 "[ . 1 . 2]" 1
18 1 3 LYS HA 1 4 ILE H . . 2.840 2.605 2.077 2.930 0.090 14 0 "[ . 1 . 2]" 1
19 1 3 LYS QB 1 3 LYS QD . . 3.140 2.317 2.146 2.462 . 0 0 "[ . 1 . 2]" 1
20 1 3 LYS QB 1 3 LYS QE . . 4.150 2.464 1.997 3.851 . 0 0 "[ . 1 . 2]" 1
21 1 3 LYS QB 1 3 LYS HG3 . . 2.650 2.334 2.117 2.465 . 0 0 "[ . 1 . 2]" 1
22 1 3 LYS QB 1 4 ILE H . . 4.410 2.426 1.773 3.812 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS QB 1 5 LYS H . . 3.680 3.212 2.334 3.682 0.002 6 0 "[ . 1 . 2]" 1
24 1 3 LYS QD 1 3 LYS HG3 . . 2.400 2.291 2.155 2.529 0.129 17 0 "[ . 1 . 2]" 1
25 1 3 LYS QE 1 3 LYS HG3 . . 3.880 2.865 2.047 3.549 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE H 1 4 ILE HB . . 3.450 3.037 2.424 3.545 0.095 2 0 "[ . 1 . 2]" 1
27 1 4 ILE H 1 4 ILE MD . . 5.500 4.021 3.403 4.475 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE H 1 4 ILE HG12 . . 3.740 3.570 2.859 4.196 0.456 20 0 "[ . 1 . 2]" 1
29 1 4 ILE H 1 4 ILE HG13 . . 4.270 2.604 1.885 3.040 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE H 1 5 LYS H . . 3.500 2.861 2.268 3.594 0.094 10 0 "[ . 1 . 2]" 1
31 1 4 ILE HA 1 4 ILE MD . . 3.950 3.965 3.847 4.064 0.114 5 0 "[ . 1 . 2]" 1
32 1 4 ILE HA 1 4 ILE HG13 . . 4.170 3.200 2.761 3.662 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE HA 1 5 LYS H . . 3.030 2.639 2.058 3.120 0.090 3 0 "[ . 1 . 2]" 1
34 1 4 ILE HA 1 5 LYS QB . . 4.730 4.385 3.778 4.819 0.089 7 0 "[ . 1 . 2]" 1
35 1 4 ILE HB 1 4 ILE MD . . 3.350 2.401 2.272 2.543 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE HB 1 5 LYS H . . 4.220 4.176 3.738 4.312 0.092 15 0 "[ . 1 . 2]" 1
37 1 4 ILE MD 1 4 ILE MG . . 2.400 2.084 2.046 2.143 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HG12 1 5 LYS H . . 5.120 5.092 4.732 5.485 0.365 4 0 "[ . 1 . 2]" 1
39 1 4 ILE HG13 1 4 ILE MG . . 3.160 3.236 3.195 3.266 0.106 5 0 "[ . 1 . 2]" 1
40 1 4 ILE HG13 1 5 LYS H . . 5.500 4.805 4.268 5.193 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE MG 1 5 LYS H . . 4.640 4.038 3.408 4.352 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE MG 1 6 ASP H . . 5.500 4.864 3.710 5.605 0.105 3 0 "[ . 1 . 2]" 1
43 1 5 LYS H 1 5 LYS QB . . 3.470 2.728 2.086 3.332 . 0 0 "[ . 1 . 2]" 1
44 1 5 LYS H 1 5 LYS QG . . 4.560 3.857 2.667 4.431 . 0 0 "[ . 1 . 2]" 1
45 1 5 LYS HA 1 5 LYS QD . . 4.470 2.833 2.035 4.139 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS HA 1 6 ASP H . . 3.090 2.495 2.152 3.178 0.088 11 0 "[ . 1 . 2]" 1
47 1 5 LYS QB 1 5 LYS QD . . 2.400 2.295 2.094 2.483 0.083 1 0 "[ . 1 . 2]" 1
48 1 5 LYS QB 1 6 ASP H . . 4.550 3.331 1.688 4.072 . 0 0 "[ . 1 . 2]" 1
49 1 5 LYS QD 1 5 LYS QG . . 2.400 2.113 2.044 2.131 . 0 0 "[ . 1 . 2]" 1
50 1 5 LYS QD 1 6 ASP H . . 4.630 3.533 1.866 4.723 0.093 16 0 "[ . 1 . 2]" 1
51 1 5 LYS QG 1 6 ASP H . . 4.770 3.591 1.807 4.831 0.061 20 0 "[ . 1 . 2]" 1
52 1 6 ASP H 1 6 ASP HB2 . . 3.940 3.147 2.155 3.820 . 0 0 "[ . 1 . 2]" 1
53 1 6 ASP H 1 6 ASP HB3 . . 3.620 3.418 2.416 4.035 0.415 13 0 "[ . 1 . 2]" 1
54 1 6 ASP H 1 7 PRO HD2 . . 5.340 4.871 4.239 5.331 . 0 0 "[ . 1 . 2]" 1
55 1 6 ASP H 1 7 PRO HD3 . . 5.500 4.562 3.785 5.422 . 0 0 "[ . 1 . 2]" 1
56 1 6 ASP HA 1 6 ASP HB2 . . 2.800 2.666 2.183 3.064 0.264 11 0 "[ . 1 . 2]" 1
57 1 6 ASP HA 1 7 PRO HD2 . . 3.060 2.535 2.158 3.133 0.073 9 0 "[ . 1 . 2]" 1
58 1 6 ASP HA 1 7 PRO HD3 . . 3.410 2.369 2.019 2.874 . 0 0 "[ . 1 . 2]" 1
59 1 6 ASP HB2 1 7 PRO HD2 . . 4.350 3.630 2.373 4.399 0.049 17 0 "[ . 1 . 2]" 1
60 1 6 ASP HB2 1 7 PRO HD3 . . 5.420 4.468 3.595 5.155 . 0 0 "[ . 1 . 2]" 1
61 1 7 PRO HA 1 8 ASP H . . 3.280 3.085 2.341 3.373 0.093 2 0 "[ . 1 . 2]" 1
62 1 7 PRO HA 1 9 ALA H . . 5.290 4.622 3.860 5.210 . 0 0 "[ . 1 . 2]" 1
63 1 7 PRO HA 1 11 LYS QB . . 5.050 4.015 2.115 4.952 . 0 0 "[ . 1 . 2]" 1
64 1 7 PRO HB2 1 8 ASP H . . 4.250 3.897 2.254 4.339 0.089 12 0 "[ . 1 . 2]" 1
65 1 7 PRO HB2 1 9 ALA H . . 5.500 4.210 2.926 5.579 0.079 17 0 "[ . 1 . 2]" 1
66 1 7 PRO HB3 1 8 ASP H . . 4.740 4.410 3.508 4.668 . 0 0 "[ . 1 . 2]" 1
67 1 7 PRO HB3 1 11 LYS QB . . 4.050 3.496 2.422 4.019 . 0 0 "[ . 1 . 2]" 1
68 1 7 PRO HD2 1 8 ASP H . . 4.930 3.442 2.610 4.653 . 0 0 "[ . 1 . 2]" 1
69 1 7 PRO HD3 1 8 ASP H . . 4.580 4.286 3.791 4.988 0.408 10 0 "[ . 1 . 2]" 1
70 1 7 PRO QG 1 8 ASP H . . 5.500 3.439 1.875 4.750 . 0 0 "[ . 1 . 2]" 1
71 1 8 ASP H 1 8 ASP QB . . 3.500 2.780 2.116 3.265 . 0 0 "[ . 1 . 2]" 1
72 1 8 ASP H 1 9 ALA H . . 3.750 3.558 2.516 3.842 0.092 12 0 "[ . 1 . 2]" 1
73 1 8 ASP H 1 9 ALA MB . . 5.500 5.157 3.676 5.542 0.042 19 0 "[ . 1 . 2]" 1
74 1 8 ASP HA 1 9 ALA H . . 3.620 2.805 1.872 3.587 . 0 0 "[ . 1 . 2]" 1
75 1 8 ASP HA 1 10 ALA H . . 5.310 4.499 3.373 4.987 . 0 0 "[ . 1 . 2]" 1
76 1 8 ASP QB 1 9 ALA H . . 4.350 3.162 1.789 3.887 . 0 0 "[ . 1 . 2]" 1
77 1 8 ASP QB 1 9 ALA HA . . 5.440 4.961 4.222 5.231 . 0 0 "[ . 1 . 2]" 1
78 1 9 ALA H 1 10 ALA H . . 4.100 2.456 1.640 3.182 . 0 0 "[ . 1 . 2]" 1
79 1 9 ALA HA 1 10 ALA H . . 3.040 2.910 2.162 3.128 0.088 13 0 "[ . 1 . 2]" 1
80 1 9 ALA MB 1 10 ALA H . . 4.730 3.586 3.319 3.781 . 0 0 "[ . 1 . 2]" 1
81 1 10 ALA H 1 10 ALA MB . . 3.490 2.730 2.273 3.153 . 0 0 "[ . 1 . 2]" 1
82 1 10 ALA H 1 11 LYS QB . . 5.500 4.641 3.673 5.313 . 0 0 "[ . 1 . 2]" 1
83 1 10 ALA HA 1 11 LYS H . . 2.860 2.455 1.968 2.927 0.067 7 0 "[ . 1 . 2]" 1
84 1 10 ALA MB 1 11 LYS H . . 4.020 3.132 1.804 3.795 . 0 0 "[ . 1 . 2]" 1
85 1 11 LYS H 1 11 LYS QB . . 3.540 2.747 2.234 3.176 . 0 0 "[ . 1 . 2]" 1
86 1 11 LYS H 1 11 LYS QG . . 3.620 2.702 1.933 3.730 0.110 20 0 "[ . 1 . 2]" 1
87 1 11 LYS H 1 12 PRO HD2 . . 5.090 4.452 3.236 5.097 0.007 4 0 "[ . 1 . 2]" 1
88 1 11 LYS H 1 12 PRO HD3 . . 4.630 3.889 2.774 4.719 0.089 13 0 "[ . 1 . 2]" 1
89 1 11 LYS HA 1 11 LYS HD2 . . 5.500 5.093 4.425 5.552 0.052 5 0 "[ . 1 . 2]" 1
90 1 11 LYS HA 1 11 LYS HD3 . . 4.900 4.725 4.278 5.556 0.656 19 2 "[ . -1 . +2]" 1
91 1 11 LYS HA 1 11 LYS QG . . 3.390 3.398 3.289 3.466 0.076 14 0 "[ . 1 . 2]" 1
92 1 11 LYS HA 1 12 PRO QB . . 5.500 4.694 4.394 4.953 . 0 0 "[ . 1 . 2]" 1
93 1 11 LYS HA 1 12 PRO HD2 . . 2.920 2.344 2.053 2.993 0.073 4 0 "[ . 1 . 2]" 1
94 1 11 LYS HA 1 12 PRO HD3 . . 3.090 2.563 1.978 3.162 0.072 12 0 "[ . 1 . 2]" 1
95 1 11 LYS HA 1 12 PRO QG . . 5.320 4.023 3.905 4.209 . 0 0 "[ . 1 . 2]" 1
96 1 11 LYS HA 1 13 GLU H . . 5.330 4.290 3.492 4.850 . 0 0 "[ . 1 . 2]" 1
97 1 11 LYS QB 1 11 LYS HD2 . . 3.720 2.783 2.111 3.305 . 0 0 "[ . 1 . 2]" 1
98 1 11 LYS QB 1 11 LYS HD3 . . 2.640 2.405 2.072 3.346 0.706 19 2 "[ . -1 . +2]" 1
99 1 11 LYS QB 1 11 LYS QE . . 4.250 3.182 2.247 3.703 . 0 0 "[ . 1 . 2]" 1
100 1 11 LYS QB 1 12 PRO HD2 . . 4.870 3.431 2.171 4.214 . 0 0 "[ . 1 . 2]" 1
101 1 11 LYS QB 1 13 GLU H . . 4.370 3.798 3.335 4.115 . 0 0 "[ . 1 . 2]" 1
102 1 11 LYS QB 1 14 ASP H . . 5.170 3.497 3.065 3.947 . 0 0 "[ . 1 . 2]" 1
103 1 11 LYS QB 1 15 TRP QB . . 4.750 4.189 3.833 4.555 . 0 0 "[ . 1 . 2]" 1
104 1 11 LYS QB 1 15 TRP HD1 . . 5.400 3.764 1.931 5.174 . 0 0 "[ . 1 . 2]" 1
105 1 11 LYS HD2 1 11 LYS QG . . 2.400 2.266 2.118 2.582 0.182 15 0 "[ . 1 . 2]" 1
106 1 11 LYS HD2 1 15 TRP QB . . 5.500 4.722 3.299 5.595 0.095 16 0 "[ . 1 . 2]" 1
107 1 11 LYS HD3 1 11 LYS QG . . 2.560 2.414 2.118 2.572 0.012 1 0 "[ . 1 . 2]" 1
108 1 11 LYS HD3 1 15 TRP QB . . 5.500 4.835 3.138 5.598 0.098 18 0 "[ . 1 . 2]" 1
109 1 11 LYS QG 1 12 PRO HD3 . . 4.980 4.747 4.093 5.041 0.061 14 0 "[ . 1 . 2]" 1
110 1 11 LYS QG 1 13 GLU H . . 5.500 3.293 1.857 4.076 . 0 0 "[ . 1 . 2]" 1
111 1 11 LYS QG 1 14 ASP H . . 5.500 2.900 2.389 3.480 . 0 0 "[ . 1 . 2]" 1
112 1 11 LYS QG 1 14 ASP HB2 . . 4.370 4.431 3.741 5.042 0.672 9 3 "[ . +* . -]" 1
113 1 11 LYS QG 1 15 TRP H . . 5.050 2.828 2.220 4.153 . 0 0 "[ . 1 . 2]" 1
114 1 11 LYS QG 1 15 TRP QB . . 4.550 3.265 1.944 4.660 0.110 7 0 "[ . 1 . 2]" 1
115 1 11 LYS QG 1 15 TRP HD1 . . 4.840 3.373 2.047 3.938 . 0 0 "[ . 1 . 2]" 1
116 1 11 LYS QG 1 15 TRP HE1 . . 5.500 4.794 2.242 5.606 0.106 15 0 "[ . 1 . 2]" 1
117 1 11 LYS QG 1 16 ASP H . . 4.690 3.803 1.938 4.798 0.108 1 0 "[ . 1 . 2]" 1
118 1 12 PRO HA 1 13 GLU H . . 2.890 2.593 2.175 2.931 0.041 17 0 "[ . 1 . 2]" 1
119 1 12 PRO HA 1 14 ASP H . . 4.160 4.047 3.738 4.241 0.081 10 0 "[ . 1 . 2]" 1
120 1 12 PRO QB 1 15 TRP HZ2 . . 5.150 4.395 3.336 5.072 . 0 0 "[ . 1 . 2]" 1
121 1 12 PRO HD2 1 13 GLU H . . 5.500 4.290 3.621 4.823 . 0 0 "[ . 1 . 2]" 1
122 1 12 PRO HD3 1 13 GLU H . . 5.130 4.729 4.425 4.989 . 0 0 "[ . 1 . 2]" 1
123 1 12 PRO QG 1 13 GLU H . . 5.090 4.437 3.940 4.862 . 0 0 "[ . 1 . 2]" 1
124 1 12 PRO QG 1 15 TRP HD1 . . 5.500 5.384 4.489 5.590 0.090 8 0 "[ . 1 . 2]" 1
125 1 12 PRO QG 1 15 TRP HE1 . . 5.500 4.216 2.379 5.233 . 0 0 "[ . 1 . 2]" 1
126 1 13 GLU H 1 13 GLU HB3 . . 3.610 3.246 2.386 3.841 0.231 15 0 "[ . 1 . 2]" 1
127 1 13 GLU H 1 14 ASP H . . 3.790 2.025 1.539 3.093 . 0 0 "[ . 1 . 2]" 1
128 1 13 GLU H 1 14 ASP HB2 . . 5.500 4.612 4.105 5.426 . 0 0 "[ . 1 . 2]" 1
129 1 13 GLU HA 1 13 GLU HB2 . . 3.010 2.477 2.252 3.034 0.024 15 0 "[ . 1 . 2]" 1
130 1 13 GLU HA 1 13 GLU QG . . 3.540 2.811 2.331 3.559 0.019 17 0 "[ . 1 . 2]" 1
131 1 13 GLU HA 1 14 ASP HB2 . . 5.300 5.038 3.891 5.954 0.654 11 1 "[ . 1+ . 2]" 1
132 1 13 GLU HA 1 15 TRP H . . 4.970 4.652 3.724 5.047 0.077 1 0 "[ . 1 . 2]" 1
133 1 13 GLU HB3 1 13 GLU QG . . 2.790 2.311 2.156 2.481 . 0 0 "[ . 1 . 2]" 1
134 1 13 GLU HB3 1 14 ASP H . . 4.000 3.583 2.239 4.117 0.117 15 0 "[ . 1 . 2]" 1
135 1 13 GLU QG 1 14 ASP H . . 4.280 3.716 2.186 4.373 0.093 9 0 "[ . 1 . 2]" 1
136 1 13 GLU QG 1 15 TRP H . . 5.500 4.664 2.964 5.596 0.096 15 0 "[ . 1 . 2]" 1
137 1 14 ASP H 1 14 ASP HB2 . . 3.440 2.889 2.060 3.786 0.346 11 0 "[ . 1 . 2]" 1
138 1 14 ASP H 1 15 TRP H . . 3.670 2.437 1.726 2.980 . 0 0 "[ . 1 . 2]" 1
139 1 14 ASP H 1 15 TRP HA . . 5.500 4.982 4.407 5.430 . 0 0 "[ . 1 . 2]" 1
140 1 14 ASP H 1 15 TRP QB . . 4.990 4.581 3.887 5.106 0.116 20 0 "[ . 1 . 2]" 1
141 1 14 ASP H 1 15 TRP HD1 . . 5.500 3.645 2.649 5.107 . 0 0 "[ . 1 . 2]" 1
142 1 14 ASP H 1 15 TRP HE1 . . 5.500 5.039 2.273 5.576 0.076 3 0 "[ . 1 . 2]" 1
143 1 14 ASP HA 1 14 ASP HB3 . . 2.920 2.857 2.381 3.051 0.131 10 0 "[ . 1 . 2]" 1
144 1 14 ASP HA 1 15 TRP H . . 3.590 3.288 2.416 3.620 0.030 19 0 "[ . 1 . 2]" 1
145 1 14 ASP HA 1 16 ASP H . . 4.030 3.968 3.415 4.122 0.092 10 0 "[ . 1 . 2]" 1
146 1 14 ASP HB2 1 15 TRP H . . 4.370 4.011 3.201 4.553 0.183 11 0 "[ . 1 . 2]" 1
147 1 14 ASP HB2 1 15 TRP HA . . 5.500 5.442 4.308 6.182 0.682 9 1 "[ . +1 . 2]" 1
148 1 14 ASP HB3 1 15 TRP H . . 5.480 3.405 2.027 4.524 . 0 0 "[ . 1 . 2]" 1
149 1 15 TRP H 1 15 TRP QB . . 3.110 2.687 2.262 3.188 0.078 9 0 "[ . 1 . 2]" 1
150 1 15 TRP H 1 15 TRP HD1 . . 4.180 2.387 1.788 3.597 . 0 0 "[ . 1 . 2]" 1
151 1 15 TRP H 1 15 TRP HE1 . . 5.500 4.432 3.911 4.875 . 0 0 "[ . 1 . 2]" 1
152 1 15 TRP H 1 16 ASP H . . 3.230 2.559 1.599 3.041 . 0 0 "[ . 1 . 2]" 1
153 1 15 TRP H 1 16 ASP HA . . 5.500 4.681 3.819 5.285 . 0 0 "[ . 1 . 2]" 1
154 1 15 TRP HA 1 15 TRP HD1 . . 4.270 4.176 4.020 4.371 0.101 20 0 "[ . 1 . 2]" 1
155 1 15 TRP HA 1 17 GLU H . . 5.500 5.010 4.064 5.559 0.059 8 0 "[ . 1 . 2]" 1
156 1 15 TRP HA 1 18 ARG H . . 5.050 4.136 3.506 5.108 0.058 17 0 "[ . 1 . 2]" 1
157 1 15 TRP HA 1 18 ARG QD . . 4.910 4.704 3.864 5.016 0.106 12 0 "[ . 1 . 2]" 1
158 1 15 TRP HA 1 18 ARG QG . . 5.050 4.340 3.028 5.148 0.098 7 0 "[ . 1 . 2]" 1
159 1 15 TRP QB 1 15 TRP HD1 . . 3.570 2.913 2.295 3.216 . 0 0 "[ . 1 . 2]" 1
160 1 15 TRP QB 1 16 ASP H . . 3.770 3.570 3.327 3.794 0.024 7 0 "[ . 1 . 2]" 1
161 1 15 TRP QB 1 16 ASP HA . . 5.500 4.932 4.361 5.329 . 0 0 "[ . 1 . 2]" 1
162 1 15 TRP QB 1 17 GLU H . . 5.500 3.704 2.242 4.566 . 0 0 "[ . 1 . 2]" 1
163 1 15 TRP HD1 1 16 ASP H . . 4.710 2.616 1.904 3.728 . 0 0 "[ . 1 . 2]" 1
164 1 15 TRP HD1 1 16 ASP HA . . 5.500 3.970 2.803 5.132 . 0 0 "[ . 1 . 2]" 1
165 1 15 TRP HD1 1 17 GLU H . . 5.500 3.195 1.958 4.575 . 0 0 "[ . 1 . 2]" 1
166 1 15 TRP HE1 1 16 ASP H . . 5.500 4.512 3.601 5.581 0.081 10 0 "[ . 1 . 2]" 1
167 1 15 TRP HE1 1 17 GLU HA . . 5.500 4.751 3.582 5.587 0.087 9 0 "[ . 1 . 2]" 1
168 1 16 ASP H 1 16 ASP HB2 . . 3.490 3.051 2.584 3.942 0.452 1 0 "[ . 1 . 2]" 1
169 1 16 ASP H 1 16 ASP HB3 . . 3.850 3.582 2.907 3.941 0.091 3 0 "[ . 1 . 2]" 1
170 1 16 ASP H 1 17 GLU HA . . 5.500 5.046 4.674 5.432 . 0 0 "[ . 1 . 2]" 1
171 1 16 ASP H 1 17 GLU HB2 . . 5.500 5.566 5.473 5.592 0.092 13 0 "[ . 1 . 2]" 1
172 1 16 ASP HA 1 17 GLU H . . 3.100 2.518 2.111 3.008 . 0 0 "[ . 1 . 2]" 1
173 1 16 ASP HA 1 17 GLU HA . . 5.020 4.601 4.222 4.970 . 0 0 "[ . 1 . 2]" 1
174 1 16 ASP HA 1 17 GLU HB2 . . 5.500 4.047 3.700 4.325 . 0 0 "[ . 1 . 2]" 1
175 1 16 ASP HA 1 18 ARG H . . 4.730 4.046 3.812 4.250 . 0 0 "[ . 1 . 2]" 1
176 1 16 ASP HA 1 19 ALA H . . 5.500 5.090 4.567 5.579 0.079 6 0 "[ . 1 . 2]" 1
177 1 16 ASP HB2 1 19 ALA H . . 5.500 5.243 3.265 5.588 0.088 12 0 "[ . 1 . 2]" 1
178 1 16 ASP HB3 1 17 GLU H . . 4.620 4.361 3.983 4.594 . 0 0 "[ . 1 . 2]" 1
179 1 16 ASP HB3 1 19 ALA H . . 5.500 4.181 3.376 5.518 0.018 1 0 "[ . 1 . 2]" 1
180 1 16 ASP HB3 1 19 ALA MB . . 5.500 4.950 3.524 6.494 0.994 1 1 "[+ . 1 . 2]" 1
181 1 17 GLU H 1 17 GLU HB2 . . 3.470 3.033 2.670 3.400 . 0 0 "[ . 1 . 2]" 1
182 1 17 GLU H 1 17 GLU QG . . 3.920 3.419 2.692 4.020 0.100 13 0 "[ . 1 . 2]" 1
183 1 17 GLU H 1 18 ARG HA . . 5.260 5.071 4.709 5.338 0.078 2 0 "[ . 1 . 2]" 1
184 1 17 GLU H 1 18 ARG QB . . 5.500 5.017 4.661 5.299 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLU HA 1 17 GLU QG . . 3.510 2.259 2.074 2.712 . 0 0 "[ . 1 . 2]" 1
186 1 17 GLU HA 1 18 ARG H . . 3.340 3.057 2.793 3.325 . 0 0 "[ . 1 . 2]" 1
187 1 17 GLU HA 1 19 ALA H . . 4.490 4.262 3.461 4.578 0.088 14 0 "[ . 1 . 2]" 1
188 1 17 GLU HA 1 20 LYS QG . . 5.320 4.835 3.762 5.250 . 0 0 "[ . 1 . 2]" 1
189 1 17 GLU HB2 1 17 GLU QG . . 2.520 2.338 2.101 2.541 0.021 13 0 "[ . 1 . 2]" 1
190 1 17 GLU HB2 1 18 ARG H . . 4.260 4.116 3.514 4.346 0.086 12 0 "[ . 1 . 2]" 1
191 1 17 GLU HB2 1 19 ALA H . . 5.500 4.602 3.480 5.573 0.073 6 0 "[ . 1 . 2]" 1
192 1 17 GLU HB3 1 17 GLU QG . . 2.400 2.345 2.162 2.500 0.100 16 0 "[ . 1 . 2]" 1
193 1 17 GLU HB3 1 18 ARG H . . 4.470 4.134 3.795 4.407 . 0 0 "[ . 1 . 2]" 1
194 1 17 GLU QG 1 18 ARG H . . 4.940 4.621 4.378 5.023 0.083 10 0 "[ . 1 . 2]" 1
195 1 17 GLU QG 1 19 ALA H . . 5.500 5.204 3.971 5.593 0.093 2 0 "[ . 1 . 2]" 1
196 1 18 ARG H 1 18 ARG QB . . 3.330 2.973 2.643 3.199 . 0 0 "[ . 1 . 2]" 1
197 1 18 ARG H 1 18 ARG QD . . 5.500 4.106 3.280 4.806 . 0 0 "[ . 1 . 2]" 1
198 1 18 ARG H 1 18 ARG QG . . 4.050 3.273 1.773 4.146 0.096 14 0 "[ . 1 . 2]" 1
199 1 18 ARG HA 1 18 ARG QD . . 4.280 3.061 2.274 4.374 0.094 12 0 "[ . 1 . 2]" 1
200 1 18 ARG HA 1 18 ARG QG . . 3.360 2.550 2.127 3.444 0.084 20 0 "[ . 1 . 2]" 1
201 1 18 ARG HA 1 19 ALA H . . 3.040 2.866 2.496 3.135 0.095 12 0 "[ . 1 . 2]" 1
202 1 18 ARG HA 1 19 ALA MB . . 5.390 4.253 3.530 4.828 . 0 0 "[ . 1 . 2]" 1
203 1 18 ARG QB 1 19 ALA H . . 4.190 3.796 3.599 3.906 . 0 0 "[ . 1 . 2]" 1
204 1 18 ARG QD 1 19 ALA H . . 5.500 4.518 3.185 5.604 0.104 8 0 "[ . 1 . 2]" 1
205 1 18 ARG QG 1 19 ALA H . . 4.660 4.226 2.686 4.761 0.101 5 0 "[ . 1 . 2]" 1
206 1 19 ALA H 1 19 ALA MB . . 3.350 2.819 2.345 3.152 . 0 0 "[ . 1 . 2]" 1
207 1 19 ALA H 1 20 LYS QG . . 4.580 3.994 2.946 4.501 . 0 0 "[ . 1 . 2]" 1
208 1 19 ALA HA 1 20 LYS H . . 2.970 2.563 2.136 3.052 0.082 9 0 "[ . 1 . 2]" 1
209 1 19 ALA MB 1 20 LYS H . . 4.220 3.137 1.832 3.812 . 0 0 "[ . 1 . 2]" 1
210 1 20 LYS H 1 20 LYS HB2 . . 3.930 3.450 2.288 3.972 0.042 7 0 "[ . 1 . 2]" 1
211 1 20 LYS H 1 20 LYS HB3 . . 3.970 3.521 2.697 3.974 0.004 10 0 "[ . 1 . 2]" 1
212 1 20 LYS H 1 20 LYS QD . . 4.500 4.405 3.722 4.609 0.109 12 0 "[ . 1 . 2]" 1
213 1 20 LYS H 1 20 LYS QG . . 4.450 2.639 1.837 3.426 . 0 0 "[ . 1 . 2]" 1
214 1 20 LYS H 1 21 ILE MD . . 5.500 5.095 3.955 5.592 0.092 20 0 "[ . 1 . 2]" 1
215 1 20 LYS H 1 21 ILE MG . . 5.500 4.799 2.758 5.601 0.101 7 0 "[ . 1 . 2]" 1
216 1 20 LYS HA 1 20 LYS QD . . 4.910 4.207 3.804 4.535 . 0 0 "[ . 1 . 2]" 1
217 1 20 LYS HA 1 20 LYS QG . . 3.610 2.942 2.262 3.381 . 0 0 "[ . 1 . 2]" 1
218 1 20 LYS HA 1 21 ILE H . . 2.750 2.331 2.129 2.821 0.071 2 0 "[ . 1 . 2]" 1
219 1 20 LYS HA 1 21 ILE HG13 . . 5.500 4.442 2.586 5.946 0.446 3 0 "[ . 1 . 2]" 1
220 1 20 LYS HB2 1 20 LYS QD . . 2.540 2.427 2.166 2.716 0.176 19 0 "[ . 1 . 2]" 1
221 1 20 LYS HB2 1 20 LYS QG . . 2.640 2.381 2.228 2.511 . 0 0 "[ . 1 . 2]" 1
222 1 20 LYS HB3 1 20 LYS QD . . 2.640 2.507 2.208 2.706 0.066 18 0 "[ . 1 . 2]" 1
223 1 20 LYS HB3 1 20 LYS QE . . 3.560 3.325 1.964 4.106 0.546 11 3 "[ .- 1+ . * 2]" 1
224 1 20 LYS HB3 1 21 ILE H . . 5.500 3.706 2.470 4.692 . 0 0 "[ . 1 . 2]" 1
225 1 20 LYS QD 1 20 LYS QG . . 2.400 2.054 1.971 2.128 . 0 0 "[ . 1 . 2]" 1
226 1 20 LYS QD 1 21 ILE H . . 5.500 5.244 4.380 5.604 0.104 14 0 "[ . 1 . 2]" 1
227 1 20 LYS QE 1 20 LYS QG . . 3.450 2.351 2.018 2.880 . 0 0 "[ . 1 . 2]" 1
228 1 21 ILE H 1 21 ILE HB . . 3.410 3.368 2.866 3.503 0.093 4 0 "[ . 1 . 2]" 1
229 1 21 ILE H 1 21 ILE MD . . 5.500 2.600 1.761 4.486 . 0 0 "[ . 1 . 2]" 1
230 1 21 ILE H 1 21 ILE HG12 . . 3.800 3.582 2.157 4.113 0.313 1 0 "[ . 1 . 2]" 1
231 1 21 ILE H 1 21 ILE HG13 . . 4.020 3.075 1.971 3.849 . 0 0 "[ . 1 . 2]" 1
232 1 21 ILE H 1 21 ILE MG . . 4.650 2.960 1.938 4.053 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE H 1 22 ASP H . . 3.560 2.635 1.820 3.620 0.060 4 0 "[ . 1 . 2]" 1
234 1 21 ILE HA 1 21 ILE MD . . 4.260 3.791 3.579 4.201 . 0 0 "[ . 1 . 2]" 1
235 1 21 ILE HA 1 22 ASP HA . . 5.100 4.867 4.408 5.193 0.093 14 0 "[ . 1 . 2]" 1
236 1 21 ILE HA 1 22 ASP HB2 . . 5.370 5.160 4.043 6.297 0.927 16 3 "[ . 1 - .+ *2]" 1
237 1 21 ILE HA 1 23 ASP H . . 5.500 4.707 3.442 5.588 0.088 1 0 "[ . 1 . 2]" 1
238 1 21 ILE HB 1 21 ILE MD . . 3.510 2.694 2.190 3.317 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE HB 1 22 ASP H . . 4.320 3.459 1.795 4.382 0.062 17 0 "[ . 1 . 2]" 1
240 1 21 ILE MD 1 22 ASP H . . 5.500 2.997 1.707 5.340 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE MD 1 22 ASP HB2 . . 5.130 4.419 2.619 5.327 0.197 19 0 "[ . 1 . 2]" 1
242 1 21 ILE MD 1 22 ASP HB3 . . 5.500 4.594 2.664 5.575 0.075 1 0 "[ . 1 . 2]" 1
243 1 21 ILE HG12 1 21 ILE MG . . 3.700 2.627 2.185 3.252 . 0 0 "[ . 1 . 2]" 1
244 1 21 ILE HG12 1 22 ASP H . . 5.500 4.174 2.800 5.574 0.074 16 0 "[ . 1 . 2]" 1
245 1 21 ILE HG13 1 21 ILE MG . . 3.230 2.628 2.272 3.233 0.003 7 0 "[ . 1 . 2]" 1
246 1 21 ILE HG13 1 22 ASP H . . 5.500 4.162 1.743 4.938 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE MG 1 22 ASP H . . 5.150 3.893 2.497 4.452 . 0 0 "[ . 1 . 2]" 1
248 1 21 ILE MG 1 23 ASP H . . 5.500 5.319 4.629 5.593 0.093 3 0 "[ . 1 . 2]" 1
249 1 22 ASP H 1 22 ASP HB2 . . 3.160 2.857 2.001 3.667 0.507 16 1 "[ . 1 .+ 2]" 1
250 1 22 ASP H 1 22 ASP HB3 . . 3.820 3.072 2.108 3.854 0.034 14 0 "[ . 1 . 2]" 1
251 1 22 ASP HA 1 22 ASP HB3 . . 3.050 2.828 2.381 3.052 0.002 10 0 "[ . 1 . 2]" 1
252 1 22 ASP HA 1 23 ASP H . . 3.050 2.572 2.002 3.130 0.080 8 0 "[ . 1 . 2]" 1
253 1 22 ASP HB3 1 23 ASP H . . 4.040 4.023 2.110 4.557 0.517 19 1 "[ . 1 . +2]" 1
254 1 23 ASP H 1 23 ASP HB2 . . 3.600 3.149 2.062 3.694 0.094 13 0 "[ . 1 . 2]" 1
255 1 23 ASP H 1 23 ASP HB3 . . 3.580 3.073 2.433 3.680 0.100 6 0 "[ . 1 . 2]" 1
256 1 23 ASP H 1 24 PRO HA . . 5.500 5.246 4.572 5.584 0.084 16 0 "[ . 1 . 2]" 1
257 1 23 ASP H 1 24 PRO HD2 . . 5.410 5.086 4.889 5.423 0.013 8 0 "[ . 1 . 2]" 1
258 1 23 ASP H 1 24 PRO HD3 . . 5.200 4.668 4.200 5.106 . 0 0 "[ . 1 . 2]" 1
259 1 23 ASP HA 1 24 PRO HD2 . . 2.960 2.769 2.249 3.044 0.084 12 0 "[ . 1 . 2]" 1
260 1 23 ASP HA 1 24 PRO HD3 . . 2.920 2.185 1.967 2.473 . 0 0 "[ . 1 . 2]" 1
261 1 23 ASP HA 1 24 PRO QG . . 4.530 4.060 3.833 4.333 . 0 0 "[ . 1 . 2]" 1
262 1 23 ASP HB2 1 24 PRO HD2 . . 4.070 3.538 2.099 4.488 0.418 2 0 "[ . 1 . 2]" 1
263 1 23 ASP HB2 1 24 PRO HD3 . . 4.280 4.160 3.143 4.523 0.243 10 0 "[ . 1 . 2]" 1
264 1 23 ASP HB2 1 25 THR H . . 5.150 4.498 3.445 5.575 0.425 8 0 "[ . 1 . 2]" 1
265 1 23 ASP HB3 1 24 PRO HD2 . . 4.440 3.302 2.044 4.425 . 0 0 "[ . 1 . 2]" 1
266 1 23 ASP HB3 1 24 PRO HD3 . . 4.410 3.924 2.687 4.497 0.087 13 0 "[ . 1 . 2]" 1
267 1 23 ASP HB3 1 25 THR H . . 5.500 4.342 2.183 5.562 0.062 14 0 "[ . 1 . 2]" 1
268 1 24 PRO HA 1 25 THR MG . . 5.500 4.512 3.405 5.153 . 0 0 "[ . 1 . 2]" 1
269 1 24 PRO HA 1 26 ASP H . . 5.500 4.474 3.342 5.588 0.088 15 0 "[ . 1 . 2]" 1
270 1 24 PRO HB2 1 25 THR MG . . 5.500 3.939 2.569 5.208 . 0 0 "[ . 1 . 2]" 1
271 1 24 PRO HB2 1 26 ASP H . . 5.500 4.135 2.757 5.338 . 0 0 "[ . 1 . 2]" 1
272 1 24 PRO HB3 1 25 THR H . . 4.010 4.021 3.565 4.558 0.548 9 1 "[ . +1 . 2]" 1
273 1 24 PRO HB3 1 25 THR MG . . 5.500 5.010 3.998 5.615 0.115 12 0 "[ . 1 . 2]" 1
274 1 24 PRO HB3 1 26 ASP H . . 5.270 5.128 4.257 5.589 0.319 6 0 "[ . 1 . 2]" 1
275 1 24 PRO HD2 1 25 THR H . . 4.600 2.690 2.177 3.337 . 0 0 "[ . 1 . 2]" 1
276 1 24 PRO HD2 1 25 THR MG . . 5.500 4.384 2.398 5.604 0.104 12 0 "[ . 1 . 2]" 1
277 1 24 PRO HD3 1 25 THR H . . 5.010 3.917 3.544 4.301 . 0 0 "[ . 1 . 2]" 1
278 1 25 THR H 1 25 THR HB . . 3.920 3.425 2.460 3.985 0.065 7 0 "[ . 1 . 2]" 1
279 1 25 THR H 1 25 THR MG . . 4.150 2.780 1.810 3.872 . 0 0 "[ . 1 . 2]" 1
280 1 25 THR H 1 26 ASP H . . 3.360 2.529 1.736 3.433 0.073 10 0 "[ . 1 . 2]" 1
281 1 25 THR H 1 26 ASP HB2 . . 5.500 4.632 2.616 6.048 0.548 9 1 "[ . +1 . 2]" 1
282 1 25 THR HA 1 26 ASP H . . 3.440 3.048 2.340 3.512 0.072 11 0 "[ . 1 . 2]" 1
283 1 25 THR HA 1 26 ASP HA . . 4.670 4.681 4.549 4.760 0.090 14 0 "[ . 1 . 2]" 1
284 1 25 THR HA 1 27 SER H . . 4.720 3.775 3.032 4.806 0.086 15 0 "[ . 1 . 2]" 1
285 1 25 THR HB 1 26 ASP H . . 4.550 4.257 2.866 4.625 0.075 14 0 "[ . 1 . 2]" 1
286 1 25 THR HB 1 27 SER H . . 5.500 4.949 3.749 5.583 0.083 12 0 "[ . 1 . 2]" 1
287 1 25 THR MG 1 26 ASP H . . 5.030 3.767 2.103 4.460 . 0 0 "[ . 1 . 2]" 1
288 1 25 THR MG 1 27 SER H . . 5.500 4.509 2.729 5.565 0.065 2 0 "[ . 1 . 2]" 1
289 1 26 ASP H 1 26 ASP HB2 . . 3.660 2.580 2.063 3.590 . 0 0 "[ . 1 . 2]" 1
290 1 26 ASP H 1 26 ASP HB3 . . 3.600 3.276 2.393 3.712 0.112 6 0 "[ . 1 . 2]" 1
291 1 26 ASP H 1 27 SER H . . 3.170 2.923 1.734 3.264 0.094 10 0 "[ . 1 . 2]" 1
292 1 26 ASP H 1 27 SER QB . . 5.500 4.516 3.054 5.506 0.006 6 0 "[ . 1 . 2]" 1
293 1 26 ASP HA 1 27 SER H . . 3.330 2.808 2.360 3.272 . 0 0 "[ . 1 . 2]" 1
294 1 26 ASP HA 1 27 SER HA . . 5.350 4.580 4.061 5.028 . 0 0 "[ . 1 . 2]" 1
295 1 26 ASP HA 1 27 SER QB . . 4.660 4.647 3.864 4.773 0.113 1 0 "[ . 1 . 2]" 1
296 1 26 ASP HA 1 28 LYS H . . 5.500 4.537 3.396 5.162 . 0 0 "[ . 1 . 2]" 1
297 1 26 ASP HB2 1 27 SER H . . 4.490 4.315 3.683 4.558 0.069 14 0 "[ . 1 . 2]" 1
298 1 26 ASP HB3 1 27 SER H . . 4.390 4.257 3.965 4.556 0.166 9 0 "[ . 1 . 2]" 1
299 1 27 SER H 1 27 SER QB . . 3.670 2.642 2.147 3.425 . 0 0 "[ . 1 . 2]" 1
300 1 27 SER H 1 28 LYS QB . . 5.500 4.915 3.339 5.343 . 0 0 "[ . 1 . 2]" 1
301 1 27 SER H 1 71 TRP HE1 . . 5.500 5.462 4.914 5.592 0.092 17 0 "[ . 1 . 2]" 1
302 1 27 SER H 1 71 TRP HH2 . . 5.500 5.383 3.868 5.584 0.084 8 0 "[ . 1 . 2]" 1
303 1 27 SER H 1 71 TRP HZ2 . . 5.500 4.667 4.203 5.136 . 0 0 "[ . 1 . 2]" 1
304 1 27 SER HA 1 28 LYS H . . 2.890 2.330 2.047 2.980 0.090 16 0 "[ . 1 . 2]" 1
305 1 27 SER HA 1 28 LYS QB . . 5.260 4.011 3.577 4.600 . 0 0 "[ . 1 . 2]" 1
306 1 27 SER HA 1 71 TRP HE1 . . 5.500 4.072 2.849 5.565 0.065 16 0 "[ . 1 . 2]" 1
307 1 27 SER HA 1 71 TRP HH2 . . 5.040 3.498 2.897 5.124 0.084 16 0 "[ . 1 . 2]" 1
308 1 27 SER HA 1 71 TRP HZ2 . . 5.210 3.051 2.372 4.356 . 0 0 "[ . 1 . 2]" 1
309 1 27 SER QB 1 28 LYS H . . 3.970 3.870 3.633 4.029 0.059 7 0 "[ . 1 . 2]" 1
310 1 27 SER QB 1 28 LYS QB . . 5.500 3.977 3.638 4.190 . 0 0 "[ . 1 . 2]" 1
311 1 27 SER QB 1 28 LYS QD . . 5.500 5.319 4.639 5.605 0.105 9 0 "[ . 1 . 2]" 1
312 1 27 SER QB 1 71 TRP HH2 . . 5.500 4.086 2.138 5.558 0.058 2 0 "[ . 1 . 2]" 1
313 1 27 SER QB 1 71 TRP HZ2 . . 5.470 4.551 2.047 5.537 0.067 15 0 "[ . 1 . 2]" 1
314 1 28 LYS H 1 28 LYS QB . . 3.390 3.083 2.141 3.277 . 0 0 "[ . 1 . 2]" 1
315 1 28 LYS H 1 28 LYS QG . . 4.780 3.681 2.547 4.345 . 0 0 "[ . 1 . 2]" 1
316 1 28 LYS H 1 29 PRO HD2 . . 5.330 4.068 3.497 4.855 . 0 0 "[ . 1 . 2]" 1
317 1 28 LYS H 1 32 TRP QB . . 5.500 5.206 4.641 5.612 0.112 16 0 "[ . 1 . 2]" 1
318 1 28 LYS H 1 71 TRP HE1 . . 5.500 2.934 2.010 4.886 . 0 0 "[ . 1 . 2]" 1
319 1 28 LYS H 1 71 TRP HH2 . . 5.500 5.084 4.445 5.584 0.084 18 0 "[ . 1 . 2]" 1
320 1 28 LYS H 1 71 TRP HZ2 . . 5.500 3.669 3.045 4.814 . 0 0 "[ . 1 . 2]" 1
321 1 28 LYS QB 1 28 LYS QD . . 2.440 2.123 1.965 2.233 . 0 0 "[ . 1 . 2]" 1
322 1 28 LYS QB 1 28 LYS QE . . 4.510 3.063 2.090 3.594 . 0 0 "[ . 1 . 2]" 1
323 1 28 LYS QB 1 29 PRO HD2 . . 5.500 3.535 2.488 4.038 . 0 0 "[ . 1 . 2]" 1
324 1 28 LYS QB 1 32 TRP H . . 5.500 5.061 4.436 5.381 . 0 0 "[ . 1 . 2]" 1
325 1 28 LYS QB 1 33 ASP H . . 5.500 4.929 4.003 5.321 . 0 0 "[ . 1 . 2]" 1
326 1 28 LYS QB 1 71 TRP HE1 . . 5.500 4.590 3.349 5.282 . 0 0 "[ . 1 . 2]" 1
327 1 28 LYS QD 1 32 TRP QB . . 4.580 3.816 2.464 4.610 0.030 2 0 "[ . 1 . 2]" 1
328 1 28 LYS QD 1 32 TRP HD1 . . 4.810 3.622 2.118 4.466 . 0 0 "[ . 1 . 2]" 1
329 1 28 LYS QD 1 33 ASP HA . . 5.500 4.357 2.466 5.576 0.076 18 0 "[ . 1 . 2]" 1
330 1 28 LYS QD 1 33 ASP QB . . 5.440 3.417 2.021 4.894 . 0 0 "[ . 1 . 2]" 1
331 1 28 LYS QD 1 71 TRP HB2 . . 4.510 3.282 2.091 4.129 . 0 0 "[ . 1 . 2]" 1
332 1 28 LYS QD 1 71 TRP HB3 . . 4.800 3.268 2.284 3.787 . 0 0 "[ . 1 . 2]" 1
333 1 28 LYS QE 1 32 TRP HD1 . . 4.530 2.671 2.039 3.929 . 0 0 "[ . 1 . 2]" 1
334 1 28 LYS QE 1 32 TRP HZ2 . . 5.500 5.535 5.074 5.607 0.107 16 0 "[ . 1 . 2]" 1
335 1 28 LYS QG 1 29 PRO HD2 . . 5.500 3.183 2.543 4.012 . 0 0 "[ . 1 . 2]" 1
336 1 28 LYS QG 1 29 PRO HD3 . . 4.360 4.142 3.867 4.869 0.509 19 1 "[ . 1 . +2]" 1
337 1 28 LYS QG 1 32 TRP QB . . 3.900 2.499 1.901 2.993 . 0 0 "[ . 1 . 2]" 1
338 1 28 LYS QG 1 32 TRP HD1 . . 5.340 3.418 2.685 3.982 . 0 0 "[ . 1 . 2]" 1
339 1 28 LYS QG 1 71 TRP HB3 . . 5.500 3.267 2.090 4.746 . 0 0 "[ . 1 . 2]" 1
340 1 29 PRO HA 1 30 GLU H . . 2.980 2.405 2.298 2.476 . 0 0 "[ . 1 . 2]" 1
341 1 29 PRO HA 1 31 ASP H . . 4.280 4.078 3.682 4.311 0.031 10 0 "[ . 1 . 2]" 1
342 1 29 PRO HA 1 32 TRP H . . 5.210 4.892 4.703 5.027 . 0 0 "[ . 1 . 2]" 1
343 1 29 PRO HB2 1 30 GLU H . . 3.950 2.660 2.300 2.820 . 0 0 "[ . 1 . 2]" 1
344 1 29 PRO HB2 1 31 ASP H . . 4.220 2.662 2.027 3.028 . 0 0 "[ . 1 . 2]" 1
345 1 29 PRO HB2 1 32 TRP H . . 4.020 3.917 3.522 4.096 0.076 10 0 "[ . 1 . 2]" 1
346 1 29 PRO HB3 1 31 ASP H . . 4.490 4.283 3.733 4.555 0.065 14 0 "[ . 1 . 2]" 1
347 1 29 PRO HB3 1 32 TRP H . . 5.400 5.147 4.785 5.476 0.076 3 0 "[ . 1 . 2]" 1
348 1 29 PRO HB3 1 32 TRP QB . . 5.500 4.932 4.642 5.224 . 0 0 "[ . 1 . 2]" 1
349 1 29 PRO HD2 1 30 GLU H . . 5.500 5.363 4.997 5.557 0.057 16 0 "[ . 1 . 2]" 1
350 1 29 PRO HD2 1 71 TRP HE1 . . 5.000 4.143 3.105 5.047 0.047 13 0 "[ . 1 . 2]" 1
351 1 29 PRO HD3 1 71 TRP HE1 . . 4.540 3.419 2.230 4.599 0.059 20 0 "[ . 1 . 2]" 1
352 1 29 PRO HG2 1 30 GLU H . . 4.620 4.369 3.821 4.690 0.070 8 0 "[ . 1 . 2]" 1
353 1 29 PRO HG2 1 31 ASP H . . 5.500 3.007 2.165 3.818 . 0 0 "[ . 1 . 2]" 1
354 1 29 PRO HG2 1 31 ASP QB . . 4.410 3.440 2.286 4.428 0.018 10 0 "[ . 1 . 2]" 1
355 1 29 PRO HG2 1 32 TRP H . . 5.500 2.781 2.042 3.677 . 0 0 "[ . 1 . 2]" 1
356 1 29 PRO HG3 1 31 ASP QB . . 5.500 4.452 2.910 5.554 0.054 10 0 "[ . 1 . 2]" 1
357 1 29 PRO HG3 1 32 TRP QB . . 4.250 3.670 3.291 4.061 . 0 0 "[ . 1 . 2]" 1
358 1 30 GLU H 1 30 GLU QB . . 2.800 2.303 1.995 2.698 . 0 0 "[ . 1 . 2]" 1
359 1 30 GLU H 1 30 GLU QG . . 4.090 3.271 1.850 4.059 . 0 0 "[ . 1 . 2]" 1
360 1 30 GLU H 1 31 ASP H . . 3.640 2.825 2.436 3.174 . 0 0 "[ . 1 . 2]" 1
361 1 30 GLU H 1 31 ASP HA . . 5.370 5.370 5.087 5.444 0.074 10 0 "[ . 1 . 2]" 1
362 1 30 GLU H 1 32 TRP H . . 5.490 4.435 4.141 4.646 . 0 0 "[ . 1 . 2]" 1
363 1 30 GLU H 1 32 TRP QB . . 5.500 5.371 5.001 5.567 0.067 2 0 "[ . 1 . 2]" 1
364 1 30 GLU HA 1 30 GLU QG . . 3.550 2.881 2.131 3.584 0.034 11 0 "[ . 1 . 2]" 1
365 1 30 GLU HA 1 31 ASP H . . 3.160 3.156 2.833 3.243 0.083 20 0 "[ . 1 . 2]" 1
366 1 30 GLU HA 1 32 TRP H . . 4.840 3.867 3.379 4.402 . 0 0 "[ . 1 . 2]" 1
367 1 30 GLU HA 1 33 ASP H . . 5.060 3.979 3.094 5.088 0.028 10 0 "[ . 1 . 2]" 1
368 1 30 GLU QB 1 31 ASP H . . 3.950 3.621 3.118 4.002 0.052 5 0 "[ . 1 . 2]" 1
369 1 30 GLU QB 1 31 ASP HA . . 4.600 4.557 4.009 4.695 0.095 12 0 "[ . 1 . 2]" 1
370 1 30 GLU QG 1 31 ASP H . . 4.970 3.923 2.848 4.644 . 0 0 "[ . 1 . 2]" 1
371 1 30 GLU QG 1 31 ASP HA . . 5.120 4.454 3.710 5.078 . 0 0 "[ . 1 . 2]" 1
372 1 30 GLU QG 1 32 TRP H . . 5.500 5.236 4.851 5.597 0.097 12 0 "[ . 1 . 2]" 1
373 1 31 ASP H 1 32 TRP H . . 3.580 2.130 1.684 2.554 . 0 0 "[ . 1 . 2]" 1
374 1 31 ASP H 1 32 TRP HA . . 5.500 4.747 4.475 5.162 . 0 0 "[ . 1 . 2]" 1
375 1 31 ASP H 1 32 TRP QB . . 5.500 3.867 3.356 4.279 . 0 0 "[ . 1 . 2]" 1
376 1 31 ASP HA 1 33 ASP H . . 4.470 4.175 3.822 4.526 0.056 9 0 "[ . 1 . 2]" 1
377 1 31 ASP QB 1 32 TRP H . . 5.320 3.338 2.647 3.759 . 0 0 "[ . 1 . 2]" 1
378 1 32 TRP H 1 32 TRP QB . . 3.040 2.279 2.141 2.430 . 0 0 "[ . 1 . 2]" 1
379 1 32 TRP H 1 33 ASP H . . 3.630 2.361 2.051 2.621 . 0 0 "[ . 1 . 2]" 1
380 1 32 TRP H 1 33 ASP QB . . 5.500 4.162 3.709 4.555 . 0 0 "[ . 1 . 2]" 1
381 1 32 TRP H 1 34 LYS QE . . 5.500 5.045 4.526 5.564 0.064 4 0 "[ . 1 . 2]" 1
382 1 32 TRP HA 1 32 TRP HD1 . . 4.550 3.905 3.731 4.194 . 0 0 "[ . 1 . 2]" 1
383 1 32 TRP HA 1 34 LYS QE . . 5.500 3.879 2.652 5.525 0.025 4 0 "[ . 1 . 2]" 1
384 1 32 TRP HA 1 68 LYS QE . . 4.890 3.345 2.286 4.635 . 0 0 "[ . 1 . 2]" 1
385 1 32 TRP QB 1 33 ASP H . . 3.370 2.707 2.323 3.119 . 0 0 "[ . 1 . 2]" 1
386 1 32 TRP QB 1 34 LYS H . . 5.500 5.016 4.673 5.317 . 0 0 "[ . 1 . 2]" 1
387 1 32 TRP QB 1 71 TRP HE1 . . 5.500 5.084 3.841 5.597 0.097 6 0 "[ . 1 . 2]" 1
388 1 32 TRP HD1 1 33 ASP H . . 4.970 3.780 3.358 4.396 . 0 0 "[ . 1 . 2]" 1
389 1 32 TRP HD1 1 33 ASP HA . . 4.000 2.963 2.414 3.559 . 0 0 "[ . 1 . 2]" 1
390 1 32 TRP HD1 1 33 ASP QB . . 5.400 4.072 3.210 4.967 . 0 0 "[ . 1 . 2]" 1
391 1 32 TRP HD1 1 34 LYS H . . 5.120 4.097 3.580 4.575 . 0 0 "[ . 1 . 2]" 1
392 1 32 TRP HD1 1 71 TRP H . . 5.500 4.940 4.185 5.573 0.073 15 0 "[ . 1 . 2]" 1
393 1 32 TRP HD1 1 71 TRP HB2 . . 4.940 3.368 2.882 3.946 . 0 0 "[ . 1 . 2]" 1
394 1 32 TRP HD1 1 71 TRP HB3 . . 5.500 4.774 4.296 5.466 . 0 0 "[ . 1 . 2]" 1
395 1 32 TRP HE1 1 33 ASP HA . . 5.500 5.099 4.264 5.591 0.091 12 0 "[ . 1 . 2]" 1
396 1 32 TRP HE1 1 68 LYS H . . 5.500 5.254 4.321 5.587 0.087 15 0 "[ . 1 . 2]" 1
397 1 32 TRP HE1 1 68 LYS HB2 . . 5.200 2.890 2.105 3.360 . 0 0 "[ . 1 . 2]" 1
398 1 32 TRP HE1 1 68 LYS HD2 . . 5.500 4.044 3.136 4.937 . 0 0 "[ . 1 . 2]" 1
399 1 32 TRP HE1 1 68 LYS HG2 . . 5.500 5.425 4.854 5.587 0.087 12 0 "[ . 1 . 2]" 1
400 1 32 TRP HE1 1 70 GLU H . . 5.500 4.486 3.500 5.183 . 0 0 "[ . 1 . 2]" 1
401 1 32 TRP HE1 1 70 GLU HA . . 4.600 4.195 3.559 4.683 0.083 15 0 "[ . 1 . 2]" 1
402 1 32 TRP HE1 1 71 TRP H . . 4.590 3.510 2.830 4.203 . 0 0 "[ . 1 . 2]" 1
403 1 32 TRP HE1 1 71 TRP HA . . 4.550 3.001 2.560 3.289 . 0 0 "[ . 1 . 2]" 1
404 1 32 TRP HE1 1 71 TRP HB2 . . 4.610 2.969 2.597 3.272 . 0 0 "[ . 1 . 2]" 1
405 1 32 TRP HE1 1 71 TRP HB3 . . 4.910 4.228 3.945 4.746 . 0 0 "[ . 1 . 2]" 1
406 1 32 TRP HE1 1 72 LYS QG . . 5.500 5.573 5.323 5.609 0.109 18 0 "[ . 1 . 2]" 1
407 1 32 TRP HH2 1 68 LYS HB2 . . 5.500 5.475 5.139 5.578 0.078 13 0 "[ . 1 . 2]" 1
408 1 32 TRP HH2 1 68 LYS HB3 . . 4.800 4.211 3.537 4.856 0.056 6 0 "[ . 1 . 2]" 1
409 1 32 TRP HH2 1 68 LYS HD3 . . 4.540 3.902 2.818 4.598 0.058 2 0 "[ . 1 . 2]" 1
410 1 32 TRP HH2 1 68 LYS QE . . 5.500 5.243 3.944 5.585 0.085 7 0 "[ . 1 . 2]" 1
411 1 32 TRP HH2 1 72 LYS H . . 4.770 4.027 3.109 4.836 0.066 14 0 "[ . 1 . 2]" 1
412 1 32 TRP HH2 1 72 LYS HB2 . . 5.500 4.893 3.145 5.572 0.072 5 0 "[ . 1 . 2]" 1
413 1 32 TRP HZ2 1 68 LYS HB2 . . 4.020 3.836 3.379 4.092 0.072 8 0 "[ . 1 . 2]" 1
414 1 32 TRP HZ2 1 68 LYS HB3 . . 4.390 2.766 2.332 3.325 . 0 0 "[ . 1 . 2]" 1
415 1 32 TRP HZ2 1 68 LYS HD3 . . 5.500 3.967 3.149 4.551 . 0 0 "[ . 1 . 2]" 1
416 1 32 TRP HZ2 1 71 TRP HA . . 4.080 2.413 2.030 2.877 . 0 0 "[ . 1 . 2]" 1
417 1 33 ASP H 1 33 ASP QB . . 3.280 2.274 2.031 2.613 . 0 0 "[ . 1 . 2]" 1
418 1 33 ASP H 1 34 LYS H . . 3.980 3.854 3.509 4.062 0.082 5 0 "[ . 1 . 2]" 1
419 1 33 ASP HA 1 34 LYS H . . 2.690 2.345 2.024 2.647 . 0 0 "[ . 1 . 2]" 1
420 1 33 ASP QB 1 34 LYS H . . 4.000 3.990 3.801 4.087 0.087 12 0 "[ . 1 . 2]" 1
421 1 34 LYS H 1 34 LYS HB2 . . 3.840 2.352 2.080 2.595 . 0 0 "[ . 1 . 2]" 1
422 1 34 LYS H 1 34 LYS HB3 . . 3.780 3.556 3.306 3.737 . 0 0 "[ . 1 . 2]" 1
423 1 34 LYS H 1 34 LYS HD3 . . 4.390 3.806 2.872 4.672 0.282 4 0 "[ . 1 . 2]" 1
424 1 34 LYS H 1 34 LYS QE . . 5.500 4.275 2.648 5.075 . 0 0 "[ . 1 . 2]" 1
425 1 34 LYS H 1 34 LYS HG2 . . 4.180 3.091 2.240 4.251 0.071 4 0 "[ . 1 . 2]" 1
426 1 34 LYS H 1 34 LYS HG3 . . 4.660 4.007 3.505 4.569 . 0 0 "[ . 1 . 2]" 1
427 1 34 LYS H 1 35 PRO QD . . 5.120 4.421 4.287 4.506 . 0 0 "[ . 1 . 2]" 1
428 1 34 LYS H 1 67 TYR HA . . 5.500 5.017 4.322 5.576 0.076 19 0 "[ . 1 . 2]" 1
429 1 34 LYS H 1 67 TYR QE . . 5.500 4.667 2.766 5.564 0.064 20 0 "[ . 1 . 2]" 1
430 1 34 LYS H 1 68 LYS QE . . 5.500 5.139 4.036 5.601 0.101 6 0 "[ . 1 . 2]" 1
431 1 34 LYS HA 1 34 LYS HD2 . . 4.050 3.061 2.111 3.677 . 0 0 "[ . 1 . 2]" 1
432 1 34 LYS HA 1 34 LYS HD3 . . 3.820 2.294 1.998 3.530 . 0 0 "[ . 1 . 2]" 1
433 1 34 LYS HA 1 34 LYS QE . . 4.760 3.790 2.001 4.198 . 0 0 "[ . 1 . 2]" 1
434 1 34 LYS HA 1 34 LYS HG2 . . 4.020 3.206 2.834 3.651 . 0 0 "[ . 1 . 2]" 1
435 1 34 LYS HA 1 34 LYS HG3 . . 3.820 3.442 2.428 3.837 0.017 7 0 "[ . 1 . 2]" 1
436 1 34 LYS HA 1 35 PRO HB3 . . 5.500 4.956 4.711 5.570 0.070 13 0 "[ . 1 . 2]" 1
437 1 34 LYS HA 1 35 PRO QD . . 2.890 2.090 1.911 2.274 . 0 0 "[ . 1 . 2]" 1
438 1 34 LYS HA 1 35 PRO QG . . 4.780 4.038 3.861 4.227 . 0 0 "[ . 1 . 2]" 1
439 1 34 LYS HB2 1 34 LYS HG2 . . 2.840 2.485 2.298 2.636 . 0 0 "[ . 1 . 2]" 1
440 1 34 LYS HB2 1 35 PRO QD . . 4.190 3.770 3.551 3.987 . 0 0 "[ . 1 . 2]" 1
441 1 34 LYS HB2 1 64 ASN HD21 . . 5.220 3.742 2.637 4.822 . 0 0 "[ . 1 . 2]" 1
442 1 34 LYS HB2 1 64 ASN HD22 . . 4.710 3.723 2.664 4.759 0.049 2 0 "[ . 1 . 2]" 1
443 1 34 LYS HB2 1 67 TYR HA . . 3.900 3.371 2.574 3.961 0.061 4 0 "[ . 1 . 2]" 1
444 1 34 LYS HB2 1 67 TYR QD . . 4.000 3.771 2.460 4.097 0.097 2 0 "[ . 1 . 2]" 1
445 1 34 LYS HB3 1 34 LYS HG3 . . 3.010 2.444 2.320 2.580 . 0 0 "[ . 1 . 2]" 1
446 1 34 LYS HB3 1 35 PRO HA . . 5.050 4.918 4.645 5.118 0.068 19 0 "[ . 1 . 2]" 1
447 1 34 LYS HB3 1 35 PRO QD . . 3.120 2.473 2.068 3.109 . 0 0 "[ . 1 . 2]" 1
448 1 34 LYS HB3 1 64 ASN HD21 . . 4.870 2.749 1.880 3.620 . 0 0 "[ . 1 . 2]" 1
449 1 34 LYS HB3 1 64 ASN HD22 . . 4.500 2.774 2.024 3.881 . 0 0 "[ . 1 . 2]" 1
450 1 34 LYS HD2 1 34 LYS HG2 . . 2.620 2.958 2.538 3.064 0.444 3 0 "[ . 1 . 2]" 1
451 1 34 LYS HD2 1 35 PRO QD . . 4.190 3.167 2.632 3.920 . 0 0 "[ . 1 . 2]" 1
452 1 34 LYS HD3 1 35 PRO QD . . 3.710 3.208 2.090 3.959 0.249 4 0 "[ . 1 . 2]" 1
453 1 34 LYS QE 1 34 LYS HG3 . . 3.840 2.692 2.255 3.526 . 0 0 "[ . 1 . 2]" 1
454 1 34 LYS HG2 1 35 PRO QD . . 5.500 4.146 3.465 4.555 . 0 0 "[ . 1 . 2]" 1
455 1 34 LYS HG3 1 35 PRO QD . . 5.440 3.640 2.075 4.506 . 0 0 "[ . 1 . 2]" 1
456 1 35 PRO HA 1 36 GLU H . . 2.790 2.212 2.018 2.338 . 0 0 "[ . 1 . 2]" 1
457 1 35 PRO HA 1 36 GLU HB2 . . 5.500 4.832 4.228 5.582 0.082 20 0 "[ . 1 . 2]" 1
458 1 35 PRO HA 1 37 HIS H . . 4.730 4.303 3.691 4.799 0.069 11 0 "[ . 1 . 2]" 1
459 1 35 PRO HA 1 67 TYR QD . . 5.500 4.877 3.967 5.563 0.063 6 0 "[ . 1 . 2]" 1
460 1 35 PRO HA 1 67 TYR QE . . 5.360 4.373 2.967 5.463 0.103 4 0 "[ . 1 . 2]" 1
461 1 35 PRO HB2 1 36 GLU H . . 3.800 3.309 2.706 3.871 0.071 13 0 "[ . 1 . 2]" 1
462 1 35 PRO HB2 1 37 HIS H . . 4.480 3.418 2.734 4.500 0.020 6 0 "[ . 1 . 2]" 1
463 1 35 PRO HB2 1 38 ILE MG . . 4.870 3.126 2.103 3.669 . 0 0 "[ . 1 . 2]" 1
464 1 35 PRO HB3 1 36 GLU H . . 4.180 3.769 3.473 4.166 . 0 0 "[ . 1 . 2]" 1
465 1 35 PRO HB3 1 38 ILE MG . . 4.500 4.262 3.521 4.587 0.087 6 0 "[ . 1 . 2]" 1
466 1 35 PRO QD 1 38 ILE MG . . 4.840 3.179 2.411 3.671 . 0 0 "[ . 1 . 2]" 1
467 1 35 PRO QD 1 64 ASN HD21 . . 4.960 3.563 2.840 5.179 0.219 19 0 "[ . 1 . 2]" 1
468 1 36 GLU H 1 36 GLU HB2 . . 3.730 2.667 2.117 3.429 . 0 0 "[ . 1 . 2]" 1
469 1 36 GLU H 1 36 GLU HB3 . . 3.690 3.556 3.252 3.645 . 0 0 "[ . 1 . 2]" 1
470 1 36 GLU H 1 36 GLU QG . . 3.730 2.667 1.696 3.170 . 0 0 "[ . 1 . 2]" 1
471 1 36 GLU H 1 37 HIS H . . 3.500 2.701 2.325 3.310 . 0 0 "[ . 1 . 2]" 1
472 1 36 GLU H 1 67 TYR QD . . 5.030 4.315 3.270 5.116 0.086 3 0 "[ . 1 . 2]" 1
473 1 36 GLU H 1 67 TYR QE . . 5.200 3.892 2.725 5.030 . 0 0 "[ . 1 . 2]" 1
474 1 36 GLU HA 1 67 TYR QB . . 3.650 3.437 2.542 3.748 0.098 14 0 "[ . 1 . 2]" 1
475 1 36 GLU HA 1 67 TYR QD . . 3.700 2.622 2.191 3.725 0.025 3 0 "[ . 1 . 2]" 1
476 1 36 GLU HA 1 67 TYR QE . . 5.000 3.555 2.852 4.390 . 0 0 "[ . 1 . 2]" 1
477 1 36 GLU HB2 1 37 HIS H . . 4.140 2.421 1.995 2.743 . 0 0 "[ . 1 . 2]" 1
478 1 36 GLU HB2 1 63 GLN HE21 . . 5.500 4.564 3.465 5.584 0.084 17 0 "[ . 1 . 2]" 1
479 1 36 GLU HB3 1 36 GLU QG . . 2.580 2.179 2.088 2.466 . 0 0 "[ . 1 . 2]" 1
480 1 36 GLU HB3 1 37 HIS H . . 4.400 3.540 2.601 3.941 . 0 0 "[ . 1 . 2]" 1
481 1 36 GLU HB3 1 63 GLN HE21 . . 5.500 3.356 2.620 4.226 . 0 0 "[ . 1 . 2]" 1
482 1 36 GLU HB3 1 63 GLN HE22 . . 5.500 3.812 1.990 5.552 0.052 8 0 "[ . 1 . 2]" 1
483 1 36 GLU HB3 1 67 TYR QE . . 4.480 4.370 3.629 4.569 0.089 17 0 "[ . 1 . 2]" 1
484 1 36 GLU QG 1 37 HIS H . . 4.770 4.071 2.154 4.340 . 0 0 "[ . 1 . 2]" 1
485 1 36 GLU QG 1 67 TYR QD . . 4.360 3.306 2.362 3.944 . 0 0 "[ . 1 . 2]" 1
486 1 36 GLU QG 1 67 TYR QE . . 3.960 2.434 2.110 2.906 . 0 0 "[ . 1 . 2]" 1
487 1 37 HIS H 1 37 HIS HB2 . . 3.850 2.554 2.271 2.754 . 0 0 "[ . 1 . 2]" 1
488 1 37 HIS H 1 37 HIS HB3 . . 3.890 3.696 3.609 3.844 . 0 0 "[ . 1 . 2]" 1
489 1 37 HIS H 1 37 HIS HD2 . . 5.500 4.717 3.999 5.208 . 0 0 "[ . 1 . 2]" 1
490 1 37 HIS H 1 38 ILE H . . 4.530 4.445 4.326 4.583 0.053 16 0 "[ . 1 . 2]" 1
491 1 37 HIS H 1 38 ILE MG . . 5.500 4.259 3.923 4.655 . 0 0 "[ . 1 . 2]" 1
492 1 37 HIS H 1 61 VAL QG . . 5.500 4.441 4.056 4.766 . 0 0 "[ . 1 . 2]" 1
493 1 37 HIS HA 1 37 HIS HD2 . . 4.310 2.840 2.177 3.323 . 0 0 "[ . 1 . 2]" 1
494 1 37 HIS HA 1 38 ILE H . . 3.140 2.179 2.115 2.274 . 0 0 "[ . 1 . 2]" 1
495 1 37 HIS HA 1 38 ILE HA . . 5.270 4.462 4.398 4.518 . 0 0 "[ . 1 . 2]" 1
496 1 37 HIS HA 1 61 VAL HB . . 4.890 4.588 4.189 4.912 0.022 12 0 "[ . 1 . 2]" 1
497 1 37 HIS HA 1 61 VAL QG . . 4.910 3.117 2.247 3.601 . 0 0 "[ . 1 . 2]" 1
498 1 37 HIS HA 1 62 ILE H . . 5.030 4.272 3.910 4.609 . 0 0 "[ . 1 . 2]" 1
499 1 37 HIS HA 1 63 GLN HA . . 3.440 2.740 2.335 3.391 . 0 0 "[ . 1 . 2]" 1
500 1 37 HIS HA 1 64 ASN H . . 3.600 3.323 2.979 3.655 0.055 20 0 "[ . 1 . 2]" 1
501 1 37 HIS HA 1 64 ASN HB2 . . 5.500 4.617 4.082 5.558 0.058 11 0 "[ . 1 . 2]" 1
502 1 37 HIS HB2 1 38 ILE H . . 4.520 4.299 4.055 4.520 0.000 12 0 "[ . 1 . 2]" 1
503 1 37 HIS HB2 1 61 VAL QG . . 3.680 2.859 2.558 3.190 . 0 0 "[ . 1 . 2]" 1
504 1 37 HIS HB3 1 38 ILE H . . 4.150 3.473 3.027 3.872 . 0 0 "[ . 1 . 2]" 1
505 1 37 HIS HB3 1 61 VAL H . . 5.500 5.565 5.471 5.599 0.099 12 0 "[ . 1 . 2]" 1
506 1 37 HIS HB3 1 61 VAL HB . . 3.410 2.737 2.381 3.510 0.100 12 0 "[ . 1 . 2]" 1
507 1 37 HIS HB3 1 61 VAL QG . . 3.620 2.044 1.755 2.189 . 0 0 "[ . 1 . 2]" 1
508 1 37 HIS HD2 1 38 ILE H . . 5.500 4.449 3.871 5.006 . 0 0 "[ . 1 . 2]" 1
509 1 37 HIS HD2 1 61 VAL HB . . 5.500 3.940 2.895 5.565 0.065 12 0 "[ . 1 . 2]" 1
510 1 37 HIS HD2 1 61 VAL QG . . 4.450 3.724 2.572 4.142 . 0 0 "[ . 1 . 2]" 1
511 1 37 HIS HD2 1 63 GLN H . . 5.140 4.409 3.672 5.208 0.068 3 0 "[ . 1 . 2]" 1
512 1 37 HIS HD2 1 63 GLN HA . . 3.800 3.525 2.707 3.876 0.076 20 0 "[ . 1 . 2]" 1
513 1 37 HIS HD2 1 63 GLN QB . . 5.010 4.042 3.354 4.660 . 0 0 "[ . 1 . 2]" 1
514 1 37 HIS HD2 1 63 GLN QG . . 5.090 4.547 3.768 5.175 0.085 17 0 "[ . 1 . 2]" 1
515 1 38 ILE H 1 38 ILE MD . . 5.500 4.020 3.773 4.192 . 0 0 "[ . 1 . 2]" 1
516 1 38 ILE H 1 38 ILE HG12 . . 4.040 2.448 2.099 2.673 . 0 0 "[ . 1 . 2]" 1
517 1 38 ILE H 1 38 ILE HG13 . . 3.870 2.856 2.620 3.105 . 0 0 "[ . 1 . 2]" 1
518 1 38 ILE H 1 38 ILE MG . . 4.740 2.994 2.858 3.167 . 0 0 "[ . 1 . 2]" 1
519 1 38 ILE H 1 61 VAL HA . . 5.140 4.232 3.906 4.596 . 0 0 "[ . 1 . 2]" 1
520 1 38 ILE H 1 61 VAL HB . . 5.010 4.703 4.063 5.072 0.062 13 0 "[ . 1 . 2]" 1
521 1 38 ILE H 1 61 VAL QG . . 4.890 2.624 1.987 2.911 . 0 0 "[ . 1 . 2]" 1
522 1 38 ILE H 1 62 ILE H . . 3.980 3.027 2.711 3.282 . 0 0 "[ . 1 . 2]" 1
523 1 38 ILE H 1 63 GLN HA . . 5.500 3.705 3.392 3.936 . 0 0 "[ . 1 . 2]" 1
524 1 38 ILE H 1 64 ASN H . . 5.240 3.521 2.918 3.869 . 0 0 "[ . 1 . 2]" 1
525 1 38 ILE HA 1 38 ILE MD . . 4.350 4.195 4.131 4.285 . 0 0 "[ . 1 . 2]" 1
526 1 38 ILE HA 1 38 ILE HG13 . . 4.000 3.738 3.676 3.769 . 0 0 "[ . 1 . 2]" 1
527 1 38 ILE HA 1 38 ILE MG . . 3.330 2.289 2.202 2.352 . 0 0 "[ . 1 . 2]" 1
528 1 38 ILE HA 1 39 PRO HB3 . . 5.090 4.884 4.702 5.074 . 0 0 "[ . 1 . 2]" 1
529 1 38 ILE HA 1 39 PRO HD2 . . 2.960 2.699 2.545 2.818 . 0 0 "[ . 1 . 2]" 1
530 1 38 ILE HA 1 39 PRO HD3 . . 3.220 2.256 2.090 2.383 . 0 0 "[ . 1 . 2]" 1
531 1 38 ILE HA 1 39 PRO HG2 . . 4.910 4.726 4.602 4.816 . 0 0 "[ . 1 . 2]" 1
532 1 38 ILE HA 1 39 PRO HG3 . . 4.720 4.560 4.388 4.689 . 0 0 "[ . 1 . 2]" 1
533 1 38 ILE HA 1 61 VAL QG . . 5.180 3.046 2.828 3.218 . 0 0 "[ . 1 . 2]" 1
534 1 38 ILE HB 1 38 ILE MD . . 3.290 2.358 2.256 2.503 . 0 0 "[ . 1 . 2]" 1
535 1 38 ILE HB 1 39 PRO HD2 . . 3.630 2.196 2.019 2.662 . 0 0 "[ . 1 . 2]" 1
536 1 38 ILE HB 1 39 PRO HD3 . . 3.220 3.338 3.290 3.702 0.482 12 0 "[ . 1 . 2]" 1
537 1 38 ILE MD 1 38 ILE MG . . 2.400 2.156 2.086 2.203 . 0 0 "[ . 1 . 2]" 1
538 1 38 ILE MD 1 39 PRO HD2 . . 5.500 3.932 3.675 4.488 . 0 0 "[ . 1 . 2]" 1
539 1 38 ILE MD 1 39 PRO HD3 . . 5.500 5.124 4.929 5.464 . 0 0 "[ . 1 . 2]" 1
540 1 38 ILE MD 1 41 PRO HB3 . . 4.240 4.079 3.618 4.325 0.085 19 0 "[ . 1 . 2]" 1
541 1 38 ILE MD 1 41 PRO HD2 . . 4.940 3.905 2.933 4.606 . 0 0 "[ . 1 . 2]" 1
542 1 38 ILE MD 1 41 PRO HG3 . . 3.820 3.062 2.484 3.779 . 0 0 "[ . 1 . 2]" 1
543 1 38 ILE MD 1 64 ASN HA . . 3.680 2.309 2.022 2.549 . 0 0 "[ . 1 . 2]" 1
544 1 38 ILE MD 1 64 ASN HB2 . . 4.610 3.575 2.827 4.390 . 0 0 "[ . 1 . 2]" 1
545 1 38 ILE MD 1 64 ASN HB3 . . 4.920 4.344 3.981 4.788 . 0 0 "[ . 1 . 2]" 1
546 1 38 ILE MD 1 65 PRO HD2 . . 4.730 2.463 2.049 3.281 . 0 0 "[ . 1 . 2]" 1
547 1 38 ILE MD 1 65 PRO HD3 . . 4.900 2.743 2.029 3.523 . 0 0 "[ . 1 . 2]" 1
548 1 38 ILE MD 1 65 PRO QG . . 4.010 3.586 3.133 4.028 0.018 20 0 "[ . 1 . 2]" 1
549 1 38 ILE MD 1 66 GLU H . . 5.500 4.642 3.945 5.603 0.103 6 0 "[ . 1 . 2]" 1
550 1 38 ILE HG12 1 38 ILE MG . . 3.650 2.380 2.275 2.533 . 0 0 "[ . 1 . 2]" 1
551 1 38 ILE HG12 1 62 ILE QG . . 3.960 3.032 2.409 3.551 . 0 0 "[ . 1 . 2]" 1
552 1 38 ILE HG12 1 64 ASN H . . 5.190 3.056 2.420 3.373 . 0 0 "[ . 1 . 2]" 1
553 1 38 ILE HG12 1 64 ASN HA . . 3.880 2.304 2.003 2.670 . 0 0 "[ . 1 . 2]" 1
554 1 38 ILE HG12 1 64 ASN HB3 . . 4.800 4.426 3.655 4.873 0.073 16 0 "[ . 1 . 2]" 1
555 1 38 ILE HG13 1 38 ILE MG . . 3.540 3.248 3.194 3.293 . 0 0 "[ . 1 . 2]" 1
556 1 38 ILE HG13 1 62 ILE QG . . 3.420 2.451 2.115 2.943 . 0 0 "[ . 1 . 2]" 1
557 1 38 ILE HG13 1 63 GLN HA . . 5.350 5.386 5.165 5.441 0.091 1 0 "[ . 1 . 2]" 1
558 1 38 ILE HG13 1 64 ASN HA . . 4.560 3.608 3.179 3.902 . 0 0 "[ . 1 . 2]" 1
559 1 38 ILE MG 1 39 PRO HD2 . . 5.040 3.439 3.162 3.683 . 0 0 "[ . 1 . 2]" 1
560 1 38 ILE MG 1 39 PRO HD3 . . 4.670 3.766 3.554 3.868 . 0 0 "[ . 1 . 2]" 1
561 1 38 ILE MG 1 63 GLN HE21 . . 5.210 5.127 4.552 5.311 0.101 3 0 "[ . 1 . 2]" 1
562 1 38 ILE MG 1 64 ASN H . . 4.790 3.600 2.943 3.874 . 0 0 "[ . 1 . 2]" 1
563 1 38 ILE MG 1 64 ASN HB2 . . 4.540 2.635 2.049 4.119 . 0 0 "[ . 1 . 2]" 1
564 1 38 ILE MG 1 64 ASN HD21 . . 4.870 2.748 1.941 5.059 0.189 19 0 "[ . 1 . 2]" 1
565 1 38 ILE MG 1 64 ASN HD22 . . 5.170 3.111 2.007 5.268 0.098 11 0 "[ . 1 . 2]" 1
566 1 39 PRO HA 1 40 ASP H . . 2.870 2.248 2.138 2.371 . 0 0 "[ . 1 . 2]" 1
567 1 39 PRO HA 1 61 VAL HA . . 2.670 2.243 1.942 2.684 0.014 20 0 "[ . 1 . 2]" 1
568 1 39 PRO HA 1 61 VAL QG . . 3.510 2.633 2.406 3.161 . 0 0 "[ . 1 . 2]" 1
569 1 39 PRO HA 1 62 ILE H . . 4.240 3.564 3.232 3.971 . 0 0 "[ . 1 . 2]" 1
570 1 39 PRO HB2 1 40 ASP H . . 4.330 3.453 3.139 3.771 . 0 0 "[ . 1 . 2]" 1
571 1 39 PRO HB2 1 61 VAL QG . . 5.380 4.350 4.000 4.865 . 0 0 "[ . 1 . 2]" 1
572 1 39 PRO HB3 1 40 ASP H . . 4.160 4.025 3.794 4.213 0.053 11 0 "[ . 1 . 2]" 1
573 1 39 PRO HG2 1 40 ASP H . . 5.500 4.945 4.673 5.110 . 0 0 "[ . 1 . 2]" 1
574 1 39 PRO HG3 1 61 VAL QG . . 5.100 4.429 4.083 4.887 . 0 0 "[ . 1 . 2]" 1
575 1 40 ASP H 1 40 ASP HB2 . . 3.380 2.621 2.245 3.454 0.074 5 0 "[ . 1 . 2]" 1
576 1 40 ASP H 1 40 ASP HB3 . . 3.360 2.519 2.256 3.473 0.113 18 0 "[ . 1 . 2]" 1
577 1 40 ASP H 1 41 PRO HD2 . . 5.350 4.877 4.708 5.037 . 0 0 "[ . 1 . 2]" 1
578 1 40 ASP H 1 41 PRO HD3 . . 4.990 4.470 4.205 4.725 . 0 0 "[ . 1 . 2]" 1
579 1 40 ASP H 1 42 ASP H . . 5.500 5.507 5.112 5.579 0.079 15 0 "[ . 1 . 2]" 1
580 1 40 ASP H 1 43 ALA H . . 5.500 5.458 4.976 5.589 0.089 16 0 "[ . 1 . 2]" 1
581 1 40 ASP H 1 43 ALA MB . . 5.120 4.664 4.103 5.028 . 0 0 "[ . 1 . 2]" 1
582 1 40 ASP H 1 59 PRO HB2 . . 4.370 2.760 2.245 3.384 . 0 0 "[ . 1 . 2]" 1
583 1 40 ASP H 1 59 PRO HB3 . . 4.810 3.896 3.345 4.640 . 0 0 "[ . 1 . 2]" 1
584 1 40 ASP H 1 60 PRO HD2 . . 5.500 3.706 3.323 4.097 . 0 0 "[ . 1 . 2]" 1
585 1 40 ASP H 1 60 PRO QG . . 5.500 3.755 2.839 4.523 . 0 0 "[ . 1 . 2]" 1
586 1 40 ASP H 1 61 VAL H . . 5.000 4.945 4.654 5.082 0.082 7 0 "[ . 1 . 2]" 1
587 1 40 ASP H 1 61 VAL HA . . 3.670 3.119 2.573 3.450 . 0 0 "[ . 1 . 2]" 1
588 1 40 ASP H 1 61 VAL QG . . 4.410 4.065 3.721 4.272 . 0 0 "[ . 1 . 2]" 1
589 1 40 ASP H 1 62 ILE QG . . 4.840 3.707 3.196 4.177 . 0 0 "[ . 1 . 2]" 1
590 1 40 ASP H 1 62 ILE MG . . 4.610 3.317 2.821 3.643 . 0 0 "[ . 1 . 2]" 1
591 1 40 ASP HA 1 41 PRO HD2 . . 3.140 2.264 2.097 2.455 . 0 0 "[ . 1 . 2]" 1
592 1 40 ASP HA 1 41 PRO HD3 . . 3.110 2.434 2.245 2.644 . 0 0 "[ . 1 . 2]" 1
593 1 40 ASP HA 1 41 PRO HG2 . . 4.590 4.450 4.286 4.567 . 0 0 "[ . 1 . 2]" 1
594 1 40 ASP HA 1 41 PRO HG3 . . 4.770 4.545 4.458 4.630 . 0 0 "[ . 1 . 2]" 1
595 1 40 ASP HA 1 42 ASP H . . 4.640 3.542 3.262 3.686 . 0 0 "[ . 1 . 2]" 1
596 1 40 ASP HA 1 43 ALA MB . . 5.500 4.830 4.420 5.120 . 0 0 "[ . 1 . 2]" 1
597 1 40 ASP HA 1 62 ILE MD . . 3.560 2.595 2.162 3.137 . 0 0 "[ . 1 . 2]" 1
598 1 40 ASP HA 1 62 ILE QG . . 3.820 2.594 2.326 3.154 . 0 0 "[ . 1 . 2]" 1
599 1 40 ASP HB2 1 41 PRO HD3 . . 5.060 4.774 4.352 5.043 . 0 0 "[ . 1 . 2]" 1
600 1 40 ASP HB2 1 42 ASP H . . 4.770 4.274 2.542 4.790 0.020 17 0 "[ . 1 . 2]" 1
601 1 40 ASP HB2 1 43 ALA MB . . 3.960 3.696 2.269 4.067 0.107 19 0 "[ . 1 . 2]" 1
602 1 40 ASP HB2 1 60 PRO HD2 . . 5.500 3.362 2.659 4.474 . 0 0 "[ . 1 . 2]" 1
603 1 40 ASP HB2 1 62 ILE QG . . 4.460 3.757 2.494 4.819 0.359 18 0 "[ . 1 . 2]" 1
604 1 40 ASP HB2 1 62 ILE MG . . 3.480 2.556 2.081 4.245 0.765 18 1 "[ . 1 . + 2]" 1
605 1 40 ASP HB3 1 41 PRO HD2 . . 5.500 4.576 2.940 4.920 . 0 0 "[ . 1 . 2]" 1
606 1 40 ASP HB3 1 41 PRO HD3 . . 5.500 5.008 4.182 5.255 . 0 0 "[ . 1 . 2]" 1
607 1 40 ASP HB3 1 43 ALA MB . . 3.420 2.938 2.202 4.093 0.673 3 4 "[ + -** 1 . 2]" 1
608 1 40 ASP HB3 1 60 PRO HD2 . . 5.260 2.687 2.155 4.536 . 0 0 "[ . 1 . 2]" 1
609 1 40 ASP HB3 1 60 PRO HD3 . . 5.500 4.326 3.890 6.050 0.550 18 1 "[ . 1 . + 2]" 1
610 1 40 ASP HB3 1 60 PRO QG . . 4.210 2.952 2.196 4.603 0.393 18 0 "[ . 1 . 2]" 1
611 1 40 ASP HB3 1 62 ILE MG . . 4.150 3.448 2.160 4.027 . 0 0 "[ . 1 . 2]" 1
612 1 41 PRO HA 1 43 ALA H . . 4.380 4.272 3.807 4.457 0.077 15 0 "[ . 1 . 2]" 1
613 1 41 PRO HA 1 43 ALA MB . . 5.500 5.199 4.536 5.578 0.078 18 0 "[ . 1 . 2]" 1
614 1 41 PRO HB2 1 42 ASP HA . . 4.450 4.435 4.131 4.530 0.080 3 0 "[ . 1 . 2]" 1
615 1 41 PRO HD2 1 42 ASP H . . 4.420 2.634 2.440 3.007 . 0 0 "[ . 1 . 2]" 1
616 1 41 PRO HD2 1 62 ILE MD . . 3.710 2.443 2.063 3.000 . 0 0 "[ . 1 . 2]" 1
617 1 41 PRO HD3 1 42 ASP H . . 3.720 3.868 3.750 4.154 0.434 12 0 "[ . 1 . 2]" 1
618 1 41 PRO HD3 1 62 ILE MD . . 3.650 3.034 2.463 3.788 0.138 19 0 "[ . 1 . 2]" 1
619 1 41 PRO HG3 1 42 ASP H . . 4.790 4.411 4.204 4.780 . 0 0 "[ . 1 . 2]" 1
620 1 42 ASP H 1 42 ASP HB2 . . 3.400 2.595 2.165 3.131 . 0 0 "[ . 1 . 2]" 1
621 1 42 ASP H 1 42 ASP HB3 . . 3.060 2.698 2.329 3.469 0.409 5 0 "[ . 1 . 2]" 1
622 1 42 ASP H 1 43 ALA H . . 3.060 2.345 2.056 2.739 . 0 0 "[ . 1 . 2]" 1
623 1 42 ASP H 1 43 ALA MB . . 4.640 4.051 3.772 4.376 . 0 0 "[ . 1 . 2]" 1
624 1 42 ASP H 1 62 ILE MG . . 5.440 5.354 4.867 5.539 0.099 19 0 "[ . 1 . 2]" 1
625 1 42 ASP HA 1 43 ALA MB . . 5.500 4.972 4.658 5.087 . 0 0 "[ . 1 . 2]" 1
626 1 42 ASP HB2 1 43 ALA H . . 4.370 3.746 2.667 4.392 0.022 13 0 "[ . 1 . 2]" 1
627 1 42 ASP HB3 1 43 ALA H . . 4.380 2.897 2.309 4.001 . 0 0 "[ . 1 . 2]" 1
628 1 43 ALA H 1 43 ALA MB . . 3.440 2.250 2.079 2.425 . 0 0 "[ . 1 . 2]" 1
629 1 43 ALA H 1 44 LYS H . . 4.530 4.568 4.449 4.607 0.077 1 0 "[ . 1 . 2]" 1
630 1 43 ALA H 1 60 PRO QG . . 5.500 5.494 5.065 5.589 0.089 12 0 "[ . 1 . 2]" 1
631 1 43 ALA HA 1 44 LYS H . . 2.620 2.268 2.175 2.447 . 0 0 "[ . 1 . 2]" 1
632 1 43 ALA HA 1 44 LYS QG . . 4.770 4.186 3.575 4.874 0.104 3 0 "[ . 1 . 2]" 1
633 1 43 ALA HA 1 57 TRP HZ2 . . 5.500 4.395 3.753 4.955 . 0 0 "[ . 1 . 2]" 1
634 1 43 ALA MB 1 44 LYS H . . 4.130 2.923 2.499 3.241 . 0 0 "[ . 1 . 2]" 1
635 1 43 ALA MB 1 57 TRP HE1 . . 5.500 4.082 3.666 4.468 . 0 0 "[ . 1 . 2]" 1
636 1 43 ALA MB 1 57 TRP HH2 . . 4.030 2.640 2.194 2.905 . 0 0 "[ . 1 . 2]" 1
637 1 43 ALA MB 1 57 TRP HZ2 . . 4.030 2.078 1.974 2.371 . 0 0 "[ . 1 . 2]" 1
638 1 43 ALA MB 1 57 TRP HZ3 . . 4.860 4.716 4.214 4.943 0.083 20 0 "[ . 1 . 2]" 1
639 1 43 ALA MB 1 59 PRO HA . . 4.610 3.545 2.809 4.230 . 0 0 "[ . 1 . 2]" 1
640 1 43 ALA MB 1 59 PRO HB3 . . 3.610 2.941 2.085 3.510 . 0 0 "[ . 1 . 2]" 1
641 1 43 ALA MB 1 60 PRO HD2 . . 3.860 3.016 2.437 3.498 . 0 0 "[ . 1 . 2]" 1
642 1 43 ALA MB 1 60 PRO HD3 . . 4.120 3.786 3.118 4.221 0.101 7 0 "[ . 1 . 2]" 1
643 1 43 ALA MB 1 60 PRO QG . . 3.960 3.804 3.225 4.031 0.071 6 0 "[ . 1 . 2]" 1
644 1 43 ALA MB 1 62 ILE MG . . 5.500 5.036 4.464 5.389 . 0 0 "[ . 1 . 2]" 1
645 1 44 LYS H 1 44 LYS QB . . 3.500 2.860 2.397 3.260 . 0 0 "[ . 1 . 2]" 1
646 1 44 LYS H 1 44 LYS QD . . 5.500 4.479 3.137 5.403 . 0 0 "[ . 1 . 2]" 1
647 1 44 LYS H 1 44 LYS QG . . 4.050 3.191 2.184 4.115 0.065 3 0 "[ . 1 . 2]" 1
648 1 44 LYS H 1 45 LYS H . . 4.920 2.514 2.215 3.219 . 0 0 "[ . 1 . 2]" 1
649 1 44 LYS H 1 57 TRP HH2 . . 5.500 3.958 3.523 4.334 . 0 0 "[ . 1 . 2]" 1
650 1 44 LYS H 1 57 TRP HZ2 . . 5.200 4.209 3.752 5.220 0.020 16 0 "[ . 1 . 2]" 1
651 1 44 LYS HA 1 44 LYS QD . . 3.770 3.588 2.302 3.877 0.107 17 0 "[ . 1 . 2]" 1
652 1 44 LYS HA 1 44 LYS QG . . 3.670 2.789 2.008 3.513 . 0 0 "[ . 1 . 2]" 1
653 1 44 LYS HA 1 45 LYS H . . 2.730 2.788 2.560 2.815 0.085 4 0 "[ . 1 . 2]" 1
654 1 44 LYS HA 1 45 LYS HB2 . . 4.540 4.545 4.188 4.785 0.245 17 0 "[ . 1 . 2]" 1
655 1 44 LYS HA 1 45 LYS HB3 . . 4.720 4.658 4.356 4.775 0.055 10 0 "[ . 1 . 2]" 1
656 1 44 LYS HA 1 57 TRP HH2 . . 4.570 2.924 2.524 3.228 . 0 0 "[ . 1 . 2]" 1
657 1 44 LYS HA 1 57 TRP HZ2 . . 5.500 4.708 4.217 5.029 . 0 0 "[ . 1 . 2]" 1
658 1 44 LYS HA 1 57 TRP HZ3 . . 4.910 3.151 2.420 3.470 . 0 0 "[ . 1 . 2]" 1
659 1 44 LYS QB 1 44 LYS QD . . 2.400 2.268 2.046 2.448 0.048 5 0 "[ . 1 . 2]" 1
660 1 44 LYS QB 1 44 LYS QE . . 3.400 2.574 2.017 3.192 . 0 0 "[ . 1 . 2]" 1
661 1 44 LYS QB 1 45 LYS H . . 5.210 3.994 3.849 4.144 . 0 0 "[ . 1 . 2]" 1
662 1 44 LYS QD 1 44 LYS QG . . 2.430 2.035 1.989 2.105 . 0 0 "[ . 1 . 2]" 1
663 1 44 LYS QE 1 44 LYS QG . . 3.350 2.323 1.977 2.860 . 0 0 "[ . 1 . 2]" 1
664 1 44 LYS QG 1 45 LYS H . . 5.500 4.409 3.897 4.901 . 0 0 "[ . 1 . 2]" 1
665 1 45 LYS H 1 45 LYS HB2 . . 3.280 3.236 3.066 3.352 0.072 9 0 "[ . 1 . 2]" 1
666 1 45 LYS H 1 45 LYS HB3 . . 3.570 3.631 3.382 3.667 0.097 10 0 "[ . 1 . 2]" 1
667 1 45 LYS H 1 45 LYS HG2 . . 5.260 4.878 4.765 5.096 . 0 0 "[ . 1 . 2]" 1
668 1 45 LYS H 1 45 LYS HG3 . . 5.500 4.402 4.218 4.549 . 0 0 "[ . 1 . 2]" 1
669 1 45 LYS H 1 46 PRO HD2 . . 5.500 4.137 3.960 4.356 . 0 0 "[ . 1 . 2]" 1
670 1 45 LYS H 1 46 PRO HD3 . . 5.500 3.390 3.292 3.506 . 0 0 "[ . 1 . 2]" 1
671 1 45 LYS H 1 46 PRO HG3 . . 5.500 5.584 5.570 5.595 0.095 17 0 "[ . 1 . 2]" 1
672 1 45 LYS H 1 57 TRP HH2 . . 5.500 3.030 2.598 3.425 . 0 0 "[ . 1 . 2]" 1
673 1 45 LYS H 1 57 TRP HZ3 . . 5.300 3.606 3.195 3.908 . 0 0 "[ . 1 . 2]" 1
674 1 45 LYS HB2 1 45 LYS QD . . 3.610 2.390 2.142 3.111 . 0 0 "[ . 1 . 2]" 1
675 1 45 LYS HB2 1 45 LYS HE2 . . 3.910 3.966 3.573 4.561 0.651 19 3 "[ . -1 . * +2]" 1
676 1 45 LYS HB2 1 45 LYS HE3 . . 4.330 4.144 2.523 4.691 0.361 19 0 "[ . 1 . 2]" 1
677 1 45 LYS HB3 1 45 LYS HE2 . . 5.020 3.393 2.778 4.553 . 0 0 "[ . 1 . 2]" 1
678 1 45 LYS HB3 1 45 LYS HE3 . . 5.410 3.750 2.524 4.385 . 0 0 "[ . 1 . 2]" 1
679 1 45 LYS QD 1 49 TRP HB2 . . 4.910 3.739 3.342 4.220 . 0 0 "[ . 1 . 2]" 1
680 1 45 LYS QD 1 49 TRP HB3 . . 4.780 3.009 2.177 3.681 . 0 0 "[ . 1 . 2]" 1
681 1 45 LYS QD 1 49 TRP HD1 . . 4.840 2.649 2.327 3.597 . 0 0 "[ . 1 . 2]" 1
682 1 45 LYS QD 1 49 TRP HE1 . . 4.990 4.014 3.636 4.645 . 0 0 "[ . 1 . 2]" 1
683 1 45 LYS QD 1 57 TRP H . . 4.730 3.289 2.841 4.200 . 0 0 "[ . 1 . 2]" 1
684 1 45 LYS QD 1 57 TRP HB2 . . 4.430 2.656 2.371 3.442 . 0 0 "[ . 1 . 2]" 1
685 1 45 LYS QD 1 57 TRP HE3 . . 5.500 3.597 2.924 4.891 . 0 0 "[ . 1 . 2]" 1
686 1 45 LYS HE2 1 45 LYS HG2 . . 4.100 2.888 2.252 4.241 0.141 5 0 "[ . 1 . 2]" 1
687 1 45 LYS HE2 1 49 TRP HD1 . . 4.670 4.491 3.500 4.747 0.077 4 0 "[ . 1 . 2]" 1
688 1 45 LYS HE3 1 45 LYS HG2 . . 4.230 2.967 2.093 3.768 . 0 0 "[ . 1 . 2]" 1
689 1 45 LYS HE3 1 49 TRP HD1 . . 4.530 4.098 2.865 4.752 0.222 18 0 "[ . 1 . 2]" 1
690 1 45 LYS HG2 1 46 PRO HD2 . . 4.440 3.109 2.547 3.714 . 0 0 "[ . 1 . 2]" 1
691 1 45 LYS HG2 1 46 PRO HD3 . . 4.850 4.429 3.939 4.930 0.080 9 0 "[ . 1 . 2]" 1
692 1 45 LYS HG2 1 49 TRP H . . 5.490 4.185 3.871 4.489 . 0 0 "[ . 1 . 2]" 1
693 1 45 LYS HG2 1 49 TRP HB2 . . 4.170 3.042 2.672 4.027 . 0 0 "[ . 1 . 2]" 1
694 1 45 LYS HG2 1 49 TRP HB3 . . 4.190 2.784 2.276 3.475 . 0 0 "[ . 1 . 2]" 1
695 1 45 LYS HG2 1 49 TRP HD1 . . 5.320 4.356 3.833 4.990 . 0 0 "[ . 1 . 2]" 1
696 1 45 LYS HG3 1 46 PRO HD2 . . 4.360 2.290 2.135 2.771 . 0 0 "[ . 1 . 2]" 1
697 1 45 LYS HG3 1 46 PRO HD3 . . 4.850 3.743 3.507 4.226 . 0 0 "[ . 1 . 2]" 1
698 1 45 LYS HG3 1 49 TRP H . . 5.500 4.874 3.787 5.323 . 0 0 "[ . 1 . 2]" 1
699 1 45 LYS HG3 1 49 TRP HB2 . . 5.150 2.802 2.500 3.097 . 0 0 "[ . 1 . 2]" 1
700 1 45 LYS HG3 1 49 TRP HB3 . . 4.760 3.068 2.400 3.570 . 0 0 "[ . 1 . 2]" 1
701 1 45 LYS HG3 1 57 TRP HE1 . . 5.500 4.966 4.483 5.570 0.070 9 0 "[ . 1 . 2]" 1
702 1 46 PRO HA 1 47 GLU H . . 2.770 2.326 2.239 2.505 . 0 0 "[ . 1 . 2]" 1
703 1 46 PRO HA 1 48 ASP H . . 4.390 3.628 3.265 4.445 0.055 10 0 "[ . 1 . 2]" 1
704 1 46 PRO HA 1 49 TRP H . . 5.070 4.640 4.453 4.793 . 0 0 "[ . 1 . 2]" 1
705 1 46 PRO HB2 1 47 GLU H . . 4.420 3.241 2.877 3.516 . 0 0 "[ . 1 . 2]" 1
706 1 46 PRO HB2 1 48 ASP H . . 3.470 2.161 1.938 2.654 . 0 0 "[ . 1 . 2]" 1
707 1 46 PRO HB2 1 49 TRP H . . 3.910 2.805 2.022 2.996 . 0 0 "[ . 1 . 2]" 1
708 1 46 PRO HB2 1 49 TRP HA . . 5.170 4.016 2.665 4.166 . 0 0 "[ . 1 . 2]" 1
709 1 46 PRO HB2 1 49 TRP HB2 . . 3.940 3.414 2.591 3.585 . 0 0 "[ . 1 . 2]" 1
710 1 46 PRO HB2 1 49 TRP HB3 . . 4.750 4.563 3.729 4.772 0.022 11 0 "[ . 1 . 2]" 1
711 1 46 PRO HB3 1 47 GLU H . . 4.050 3.494 2.163 3.735 . 0 0 "[ . 1 . 2]" 1
712 1 46 PRO HB3 1 48 ASP H . . 4.050 3.414 3.060 3.745 . 0 0 "[ . 1 . 2]" 1
713 1 46 PRO HB3 1 49 TRP H . . 4.850 4.494 3.457 4.656 . 0 0 "[ . 1 . 2]" 1
714 1 46 PRO HB3 1 49 TRP HA . . 5.500 5.458 4.023 5.576 0.076 13 0 "[ . 1 . 2]" 1
715 1 46 PRO HB3 1 49 TRP HB2 . . 4.820 4.559 4.131 4.670 . 0 0 "[ . 1 . 2]" 1
716 1 46 PRO HD2 1 49 TRP H . . 5.010 4.373 4.045 4.596 . 0 0 "[ . 1 . 2]" 1
717 1 46 PRO HD2 1 49 TRP HE3 . . 4.570 3.177 2.899 3.533 . 0 0 "[ . 1 . 2]" 1
718 1 46 PRO HD2 1 57 TRP HE1 . . 4.520 3.685 3.048 4.082 . 0 0 "[ . 1 . 2]" 1
719 1 46 PRO HD3 1 49 TRP HE3 . . 5.030 4.124 3.855 4.397 . 0 0 "[ . 1 . 2]" 1
720 1 46 PRO HD3 1 57 TRP HE1 . . 4.140 2.999 2.429 3.376 . 0 0 "[ . 1 . 2]" 1
721 1 46 PRO HG2 1 47 GLU H . . 5.500 5.162 4.674 5.449 . 0 0 "[ . 1 . 2]" 1
722 1 46 PRO HG2 1 48 ASP H . . 5.500 4.258 3.938 4.937 . 0 0 "[ . 1 . 2]" 1
723 1 46 PRO HG2 1 49 TRP H . . 4.680 3.437 3.368 3.969 . 0 0 "[ . 1 . 2]" 1
724 1 46 PRO HG2 1 49 TRP HA . . 3.620 3.082 3.017 3.177 . 0 0 "[ . 1 . 2]" 1
725 1 46 PRO HG2 1 49 TRP HB2 . . 3.800 2.182 2.081 2.474 . 0 0 "[ . 1 . 2]" 1
726 1 46 PRO HG2 1 49 TRP HB3 . . 4.540 3.859 3.749 4.187 . 0 0 "[ . 1 . 2]" 1
727 1 46 PRO HG2 1 49 TRP HE3 . . 4.290 2.250 2.050 2.526 . 0 0 "[ . 1 . 2]" 1
728 1 46 PRO HG2 1 49 TRP HZ3 . . 5.500 4.430 3.957 4.703 . 0 0 "[ . 1 . 2]" 1
729 1 46 PRO HG2 1 50 ASP H . . 5.500 5.163 5.045 5.349 . 0 0 "[ . 1 . 2]" 1
730 1 46 PRO HG2 1 57 TRP HE1 . . 4.800 4.797 3.958 4.884 0.084 9 0 "[ . 1 . 2]" 1
731 1 46 PRO HG3 1 47 GLU H . . 5.500 5.407 4.211 5.572 0.072 11 0 "[ . 1 . 2]" 1
732 1 46 PRO HG3 1 48 ASP H . . 5.500 4.980 4.743 5.484 . 0 0 "[ . 1 . 2]" 1
733 1 46 PRO HG3 1 49 TRP H . . 4.870 4.923 4.849 4.964 0.094 14 0 "[ . 1 . 2]" 1
734 1 46 PRO HG3 1 49 TRP HA . . 4.650 4.730 4.713 4.743 0.093 9 0 "[ . 1 . 2]" 1
735 1 46 PRO HG3 1 49 TRP HB2 . . 4.310 3.779 3.657 3.949 . 0 0 "[ . 1 . 2]" 1
736 1 46 PRO HG3 1 49 TRP HB3 . . 5.500 5.475 5.348 5.573 0.073 10 0 "[ . 1 . 2]" 1
737 1 46 PRO HG3 1 49 TRP HE3 . . 4.050 3.269 2.868 3.629 . 0 0 "[ . 1 . 2]" 1
738 1 46 PRO HG3 1 49 TRP HZ3 . . 5.110 4.679 4.168 5.061 . 0 0 "[ . 1 . 2]" 1
739 1 46 PRO HG3 1 57 TRP HE1 . . 4.490 4.094 3.679 4.456 . 0 0 "[ . 1 . 2]" 1
740 1 47 GLU H 1 47 GLU HB2 . . 3.310 2.648 2.101 3.458 0.148 11 0 "[ . 1 . 2]" 1
741 1 47 GLU H 1 47 GLU HB3 . . 3.360 2.656 2.287 3.427 0.067 2 0 "[ . 1 . 2]" 1
742 1 47 GLU H 1 47 GLU QG . . 3.910 3.416 1.949 3.990 0.080 14 0 "[ . 1 . 2]" 1
743 1 47 GLU H 1 48 ASP H . . 3.590 2.412 2.225 2.899 . 0 0 "[ . 1 . 2]" 1
744 1 47 GLU H 1 48 ASP HA . . 5.500 5.094 4.853 5.297 . 0 0 "[ . 1 . 2]" 1
745 1 47 GLU H 1 49 TRP H . . 5.470 4.166 3.713 4.433 . 0 0 "[ . 1 . 2]" 1
746 1 47 GLU HA 1 47 GLU QG . . 3.820 2.687 2.167 3.596 . 0 0 "[ . 1 . 2]" 1
747 1 47 GLU HA 1 48 ASP HA . . 4.880 4.788 4.046 4.944 0.064 13 0 "[ . 1 . 2]" 1
748 1 47 GLU HA 1 49 TRP H . . 4.760 3.679 3.344 4.843 0.083 10 0 "[ . 1 . 2]" 1
749 1 47 GLU HB2 1 47 GLU QG . . 2.690 2.384 2.137 2.534 . 0 0 "[ . 1 . 2]" 1
750 1 47 GLU HB2 1 48 ASP H . . 4.240 3.883 3.240 4.256 0.016 11 0 "[ . 1 . 2]" 1
751 1 47 GLU HB3 1 48 ASP H . . 4.190 3.427 2.651 4.302 0.112 16 0 "[ . 1 . 2]" 1
752 1 47 GLU HB3 1 49 TRP H . . 5.500 5.164 4.049 5.564 0.064 1 0 "[ . 1 . 2]" 1
753 1 47 GLU QG 1 48 ASP H . . 4.460 3.767 2.371 4.538 0.078 17 0 "[ . 1 . 2]" 1
754 1 47 GLU QG 1 49 TRP H . . 5.500 5.027 4.606 5.471 . 0 0 "[ . 1 . 2]" 1
755 1 48 ASP H 1 48 ASP HB2 . . 3.640 2.834 2.290 3.701 0.061 16 0 "[ . 1 . 2]" 1
756 1 48 ASP H 1 48 ASP HB3 . . 3.470 2.860 1.944 3.615 0.145 5 0 "[ . 1 . 2]" 1
757 1 48 ASP H 1 49 TRP H . . 3.480 2.636 1.519 2.840 . 0 0 "[ . 1 . 2]" 1
758 1 48 ASP H 1 49 TRP HA . . 4.940 4.895 3.654 5.022 0.082 7 0 "[ . 1 . 2]" 1
759 1 48 ASP H 1 49 TRP HB2 . . 5.190 4.626 4.259 4.794 . 0 0 "[ . 1 . 2]" 1
760 1 48 ASP H 1 49 TRP HB3 . . 5.260 5.093 4.592 5.327 0.067 1 0 "[ . 1 . 2]" 1
761 1 48 ASP HA 1 48 ASP HB3 . . 3.050 2.704 2.299 3.056 0.006 8 0 "[ . 1 . 2]" 1
762 1 48 ASP HA 1 49 TRP H . . 3.520 3.278 3.065 3.422 . 0 0 "[ . 1 . 2]" 1
763 1 48 ASP HB2 1 49 TRP H . . 4.610 4.206 3.452 4.670 0.060 3 0 "[ . 1 . 2]" 1
764 1 48 ASP HB3 1 49 TRP H . . 4.870 4.188 3.659 4.681 . 0 0 "[ . 1 . 2]" 1
765 1 49 TRP H 1 49 TRP HB2 . . 3.160 2.644 2.549 3.099 . 0 0 "[ . 1 . 2]" 1
766 1 49 TRP H 1 49 TRP HB3 . . 3.320 2.626 2.509 3.380 0.060 10 0 "[ . 1 . 2]" 1
767 1 49 TRP H 1 49 TRP HD1 . . 5.500 5.091 4.955 5.565 0.065 10 0 "[ . 1 . 2]" 1
768 1 49 TRP H 1 50 ASP H . . 4.730 4.612 4.441 4.684 . 0 0 "[ . 1 . 2]" 1
769 1 49 TRP HA 1 49 TRP HD1 . . 4.770 4.321 4.084 4.438 . 0 0 "[ . 1 . 2]" 1
770 1 49 TRP HA 1 49 TRP HE3 . . 3.530 2.752 2.466 3.088 . 0 0 "[ . 1 . 2]" 1
771 1 49 TRP HA 1 50 ASP H . . 2.870 2.369 2.201 2.771 . 0 0 "[ . 1 . 2]" 1
772 1 49 TRP HA 1 50 ASP HB2 . . 4.350 4.402 4.193 4.433 0.083 7 0 "[ . 1 . 2]" 1
773 1 49 TRP HA 1 50 ASP HB3 . . 4.510 4.572 4.439 4.600 0.090 5 0 "[ . 1 . 2]" 1
774 1 49 TRP HB2 1 49 TRP HE3 . . 3.190 2.751 2.698 2.834 . 0 0 "[ . 1 . 2]" 1
775 1 49 TRP HB2 1 50 ASP H . . 5.500 4.002 3.566 4.487 . 0 0 "[ . 1 . 2]" 1
776 1 49 TRP HB3 1 49 TRP HD1 . . 3.690 2.644 2.592 2.691 . 0 0 "[ . 1 . 2]" 1
777 1 49 TRP HB3 1 49 TRP HE3 . . 4.100 4.172 4.167 4.180 0.080 14 0 "[ . 1 . 2]" 1
778 1 49 TRP HB3 1 50 ASP H . . 5.100 3.701 3.403 4.301 . 0 0 "[ . 1 . 2]" 1
779 1 49 TRP HD1 1 50 ASP H . . 5.220 3.389 2.804 4.233 . 0 0 "[ . 1 . 2]" 1
780 1 49 TRP HD1 1 50 ASP HA . . 5.100 3.816 3.322 4.728 . 0 0 "[ . 1 . 2]" 1
781 1 49 TRP HD1 1 51 GLU H . . 4.810 3.255 2.487 3.537 . 0 0 "[ . 1 . 2]" 1
782 1 49 TRP HD1 1 51 GLU HA . . 4.400 3.554 3.123 3.841 . 0 0 "[ . 1 . 2]" 1
783 1 49 TRP HD1 1 51 GLU HB2 . . 5.100 3.371 2.114 4.546 . 0 0 "[ . 1 . 2]" 1
784 1 49 TRP HD1 1 51 GLU HB3 . . 4.970 4.319 2.592 5.110 0.140 4 0 "[ . 1 . 2]" 1
785 1 49 TRP HD1 1 51 GLU QG . . 4.160 3.245 1.914 4.244 0.084 15 0 "[ . 1 . 2]" 1
786 1 49 TRP HD1 1 52 GLU H . . 5.500 5.500 5.372 5.579 0.079 9 0 "[ . 1 . 2]" 1
787 1 49 TRP HD1 1 56 GLU HA . . 5.480 4.698 4.310 4.972 . 0 0 "[ . 1 . 2]" 1
788 1 49 TRP HD1 1 57 TRP H . . 4.520 4.210 3.867 4.586 0.066 3 0 "[ . 1 . 2]" 1
789 1 49 TRP HD1 1 57 TRP HB2 . . 5.070 3.696 3.347 3.966 . 0 0 "[ . 1 . 2]" 1
790 1 49 TRP HD1 1 57 TRP HB3 . . 5.500 4.833 4.456 5.141 . 0 0 "[ . 1 . 2]" 1
791 1 49 TRP HE1 1 50 ASP H . . 5.220 4.119 3.731 5.215 . 0 0 "[ . 1 . 2]" 1
792 1 49 TRP HE1 1 51 GLU H . . 5.500 4.242 3.277 4.530 . 0 0 "[ . 1 . 2]" 1
793 1 49 TRP HE1 1 51 GLU HA . . 3.810 2.436 2.177 2.588 . 0 0 "[ . 1 . 2]" 1
794 1 49 TRP HE1 1 51 GLU HB2 . . 5.330 3.845 2.835 4.893 . 0 0 "[ . 1 . 2]" 1
795 1 49 TRP HE1 1 51 GLU QG . . 4.660 2.761 1.950 4.516 . 0 0 "[ . 1 . 2]" 1
796 1 49 TRP HE1 1 52 GLU H . . 5.500 5.563 5.467 5.590 0.090 14 0 "[ . 1 . 2]" 1
797 1 49 TRP HE1 1 54 ASP H . . 5.500 4.563 4.110 5.062 . 0 0 "[ . 1 . 2]" 1
798 1 49 TRP HE1 1 54 ASP HB3 . . 5.130 4.014 3.457 4.618 . 0 0 "[ . 1 . 2]" 1
799 1 49 TRP HE1 1 55 GLY H . . 5.270 3.881 3.409 4.286 . 0 0 "[ . 1 . 2]" 1
800 1 49 TRP HE1 1 56 GLU H . . 5.500 4.685 4.533 4.804 . 0 0 "[ . 1 . 2]" 1
801 1 49 TRP HE1 1 56 GLU HA . . 4.390 3.147 2.965 3.343 . 0 0 "[ . 1 . 2]" 1
802 1 49 TRP HE1 1 56 GLU HB2 . . 5.410 5.477 5.263 5.813 0.403 6 0 "[ . 1 . 2]" 1
803 1 49 TRP HE1 1 57 TRP H . . 4.140 3.079 2.607 3.549 . 0 0 "[ . 1 . 2]" 1
804 1 49 TRP HE1 1 57 TRP HA . . 4.930 3.929 3.448 4.399 . 0 0 "[ . 1 . 2]" 1
805 1 49 TRP HE1 1 57 TRP HB2 . . 4.940 3.369 3.011 3.612 . 0 0 "[ . 1 . 2]" 1
806 1 49 TRP HE1 1 57 TRP HB3 . . 5.500 4.600 4.295 4.876 . 0 0 "[ . 1 . 2]" 1
807 1 49 TRP HE3 1 50 ASP H . . 5.220 4.062 3.766 4.755 . 0 0 "[ . 1 . 2]" 1
808 1 49 TRP HE3 1 57 TRP HE1 . . 5.500 4.582 4.084 4.806 . 0 0 "[ . 1 . 2]" 1
809 1 49 TRP HH2 1 54 ASP HB3 . . 4.200 3.274 2.793 3.846 . 0 0 "[ . 1 . 2]" 1
810 1 49 TRP HH2 1 57 TRP HA . . 5.010 3.932 3.607 5.005 . 0 0 "[ . 1 . 2]" 1
811 1 49 TRP HZ2 1 54 ASP HB2 . . 4.250 4.009 3.291 4.316 0.066 5 0 "[ . 1 . 2]" 1
812 1 49 TRP HZ2 1 54 ASP HB3 . . 3.980 2.504 2.227 2.693 . 0 0 "[ . 1 . 2]" 1
813 1 49 TRP HZ2 1 56 GLU H . . 5.500 5.097 4.722 5.559 0.059 6 0 "[ . 1 . 2]" 1
814 1 49 TRP HZ2 1 57 TRP H . . 5.500 4.245 3.608 5.284 . 0 0 "[ . 1 . 2]" 1
815 1 49 TRP HZ2 1 57 TRP HA . . 3.840 2.966 2.623 3.743 . 0 0 "[ . 1 . 2]" 1
816 1 49 TRP HZ3 1 57 TRP HE1 . . 4.590 4.458 4.168 4.660 0.070 18 0 "[ . 1 . 2]" 1
817 1 50 ASP H 1 50 ASP HB2 . . 3.430 3.167 2.275 3.431 0.001 11 0 "[ . 1 . 2]" 1
818 1 50 ASP H 1 50 ASP HB3 . . 3.300 2.774 2.346 2.975 . 0 0 "[ . 1 . 2]" 1
819 1 50 ASP H 1 51 GLU H . . 4.960 3.907 2.650 4.196 . 0 0 "[ . 1 . 2]" 1
820 1 50 ASP H 1 52 GLU H . . 5.390 5.205 5.017 5.452 0.062 7 0 "[ . 1 . 2]" 1
821 1 50 ASP H 1 54 ASP HB3 . . 5.500 4.823 3.931 5.556 0.056 13 0 "[ . 1 . 2]" 1
822 1 50 ASP HA 1 51 GLU H . . 3.100 2.164 2.031 3.152 0.052 13 0 "[ . 1 . 2]" 1
823 1 50 ASP HA 1 51 GLU HB2 . . 5.500 4.453 4.156 5.589 0.089 19 0 "[ . 1 . 2]" 1
824 1 50 ASP HA 1 51 GLU HB3 . . 4.770 5.029 4.405 5.589 0.819 9 9 "[* ** +1** -. * *]" 1
825 1 50 ASP HA 1 52 GLU H . . 4.700 3.564 3.365 4.230 . 0 0 "[ . 1 . 2]" 1
826 1 50 ASP HA 1 53 MET H . . 5.500 4.279 4.130 4.944 . 0 0 "[ . 1 . 2]" 1
827 1 50 ASP HB2 1 51 GLU H . . 4.900 4.390 4.155 4.572 . 0 0 "[ . 1 . 2]" 1
828 1 50 ASP HB2 1 53 MET HB2 . . 3.940 3.912 3.578 4.018 0.078 3 0 "[ . 1 . 2]" 1
829 1 50 ASP HB2 1 53 MET HB3 . . 3.700 3.806 3.715 4.021 0.321 4 0 "[ . 1 . 2]" 1
830 1 50 ASP HB3 1 51 GLU H . . 5.500 4.280 3.378 4.455 . 0 0 "[ . 1 . 2]" 1
831 1 50 ASP HB3 1 52 GLU H . . 5.440 4.207 3.737 4.439 . 0 0 "[ . 1 . 2]" 1
832 1 50 ASP HB3 1 53 MET H . . 4.940 3.334 2.994 3.487 . 0 0 "[ . 1 . 2]" 1
833 1 50 ASP HB3 1 53 MET HB2 . . 4.190 2.743 2.137 3.057 . 0 0 "[ . 1 . 2]" 1
834 1 50 ASP HB3 1 53 MET HB3 . . 3.730 2.164 2.078 2.307 . 0 0 "[ . 1 . 2]" 1
835 1 50 ASP HB3 1 54 ASP H . . 4.720 3.773 3.218 4.333 . 0 0 "[ . 1 . 2]" 1
836 1 51 GLU H 1 51 GLU HB2 . . 3.580 2.516 2.099 3.670 0.090 7 0 "[ . 1 . 2]" 1
837 1 51 GLU H 1 51 GLU HB3 . . 3.680 3.022 2.428 3.595 . 0 0 "[ . 1 . 2]" 1
838 1 51 GLU H 1 51 GLU QG . . 3.990 3.407 1.931 4.037 0.047 2 0 "[ . 1 . 2]" 1
839 1 51 GLU H 1 52 GLU H . . 3.720 2.551 2.262 3.457 . 0 0 "[ . 1 . 2]" 1
840 1 51 GLU H 1 52 GLU HG3 . . 5.260 4.607 3.876 5.349 0.089 13 0 "[ . 1 . 2]" 1
841 1 51 GLU H 1 54 ASP H . . 5.500 4.922 4.249 5.397 . 0 0 "[ . 1 . 2]" 1
842 1 51 GLU HA 1 51 GLU QG . . 3.560 2.456 2.125 3.501 . 0 0 "[ . 1 . 2]" 1
843 1 51 GLU HA 1 53 MET H . . 3.640 3.705 3.593 3.725 0.085 15 0 "[ . 1 . 2]" 1
844 1 51 GLU HA 1 54 ASP H . . 4.290 3.494 2.908 3.877 . 0 0 "[ . 1 . 2]" 1
845 1 51 GLU HA 1 55 GLY H . . 3.290 2.632 2.345 3.090 . 0 0 "[ . 1 . 2]" 1
846 1 51 GLU HA 1 55 GLY HA2 . . 4.140 3.352 2.878 3.774 . 0 0 "[ . 1 . 2]" 1
847 1 51 GLU HA 1 57 TRP H . . 5.500 4.930 4.447 5.257 . 0 0 "[ . 1 . 2]" 1
848 1 51 GLU HB2 1 56 GLU HA . . 4.110 4.221 2.304 5.045 0.935 4 8 "[- +* 1** *. * *]" 1
849 1 51 GLU HB3 1 55 GLY HA2 . . 5.230 4.612 3.466 5.321 0.091 13 0 "[ . 1 . 2]" 1
850 1 51 GLU QG 1 52 GLU H . . 4.640 4.335 2.880 4.732 0.092 11 0 "[ . 1 . 2]" 1
851 1 51 GLU QG 1 56 GLU HA . . 3.650 2.301 1.918 3.739 0.089 19 0 "[ . 1 . 2]" 1
852 1 51 GLU QG 1 57 TRP H . . 4.860 3.529 2.823 4.823 . 0 0 "[ . 1 . 2]" 1
853 1 52 GLU H 1 52 GLU QB . . 2.800 2.499 2.335 2.648 . 0 0 "[ . 1 . 2]" 1
854 1 52 GLU H 1 52 GLU HG2 . . 3.980 3.526 2.440 4.049 0.069 3 0 "[ . 1 . 2]" 1
855 1 52 GLU H 1 52 GLU HG3 . . 3.660 3.097 2.430 3.739 0.079 14 0 "[ . 1 . 2]" 1
856 1 52 GLU H 1 53 MET H . . 3.390 2.094 1.873 2.357 . 0 0 "[ . 1 . 2]" 1
857 1 52 GLU H 1 53 MET HA . . 5.090 4.796 4.625 4.992 . 0 0 "[ . 1 . 2]" 1
858 1 52 GLU H 1 53 MET HB3 . . 5.500 4.330 4.131 4.641 . 0 0 "[ . 1 . 2]" 1
859 1 52 GLU H 1 54 ASP H . . 4.590 4.120 3.857 4.520 . 0 0 "[ . 1 . 2]" 1
860 1 52 GLU H 1 55 GLY H . . 4.970 4.351 4.032 4.693 . 0 0 "[ . 1 . 2]" 1
861 1 52 GLU HA 1 52 GLU QB . . 2.650 2.374 2.287 2.422 . 0 0 "[ . 1 . 2]" 1
862 1 52 GLU HA 1 52 GLU HG2 . . 3.540 2.472 2.295 3.197 . 0 0 "[ . 1 . 2]" 1
863 1 52 GLU HA 1 52 GLU HG3 . . 3.730 3.296 2.912 3.804 0.074 14 0 "[ . 1 . 2]" 1
864 1 52 GLU HA 1 54 ASP H . . 5.000 4.925 4.266 5.074 0.074 20 0 "[ . 1 . 2]" 1
865 1 52 GLU QB 1 52 GLU HG2 . . 2.680 2.453 2.368 2.587 . 0 0 "[ . 1 . 2]" 1
866 1 52 GLU QB 1 52 GLU HG3 . . 2.400 2.297 2.135 2.421 0.021 3 0 "[ . 1 . 2]" 1
867 1 52 GLU QB 1 53 MET H . . 3.720 3.259 2.945 3.614 . 0 0 "[ . 1 . 2]" 1
868 1 52 GLU QB 1 53 MET HA . . 4.560 4.259 3.952 4.616 0.056 3 0 "[ . 1 . 2]" 1
869 1 52 GLU QB 1 54 ASP H . . 5.500 5.386 5.124 5.575 0.075 4 0 "[ . 1 . 2]" 1
870 1 52 GLU HG2 1 53 MET H . . 5.500 4.940 4.334 5.205 . 0 0 "[ . 1 . 2]" 1
871 1 52 GLU HG3 1 53 MET H . . 5.240 4.800 4.357 5.303 0.063 14 0 "[ . 1 . 2]" 1
872 1 53 MET H 1 53 MET HB2 . . 3.830 2.675 2.501 2.912 . 0 0 "[ . 1 . 2]" 1
873 1 53 MET H 1 53 MET HB3 . . 3.420 2.534 2.372 2.740 . 0 0 "[ . 1 . 2]" 1
874 1 53 MET H 1 53 MET HG2 . . 4.460 4.549 4.340 4.800 0.340 3 0 "[ . 1 . 2]" 1
875 1 53 MET H 1 54 ASP H . . 3.110 2.477 2.240 2.794 . 0 0 "[ . 1 . 2]" 1
876 1 53 MET H 1 54 ASP HA . . 5.500 5.114 4.834 5.299 . 0 0 "[ . 1 . 2]" 1
877 1 53 MET H 1 55 GLY H . . 3.900 3.459 3.140 3.846 . 0 0 "[ . 1 . 2]" 1
878 1 53 MET HA 1 53 MET HG2 . . 4.220 3.333 2.419 3.826 . 0 0 "[ . 1 . 2]" 1
879 1 53 MET HA 1 53 MET HG3 . . 3.760 2.672 2.234 3.614 . 0 0 "[ . 1 . 2]" 1
880 1 53 MET HA 1 55 GLY H . . 5.500 4.875 4.613 5.267 . 0 0 "[ . 1 . 2]" 1
881 1 53 MET HB2 1 54 ASP H . . 3.890 3.711 3.438 3.937 0.047 13 0 "[ . 1 . 2]" 1
882 1 53 MET HB2 1 55 GLY H . . 5.500 5.522 5.252 5.589 0.089 15 0 "[ . 1 . 2]" 1
883 1 53 MET HB3 1 54 ASP H . . 3.630 2.369 2.103 2.734 . 0 0 "[ . 1 . 2]" 1
884 1 53 MET HB3 1 55 GLY H . . 5.170 4.421 4.129 4.630 . 0 0 "[ . 1 . 2]" 1
885 1 53 MET HG2 1 54 ASP H . . 5.290 3.900 3.152 4.542 . 0 0 "[ . 1 . 2]" 1
886 1 53 MET HG3 1 54 ASP H . . 4.830 4.203 3.426 4.874 0.044 13 0 "[ . 1 . 2]" 1
887 1 54 ASP H 1 54 ASP HB2 . . 3.410 2.612 2.133 2.945 . 0 0 "[ . 1 . 2]" 1
888 1 54 ASP H 1 54 ASP HB3 . . 3.480 2.942 2.571 3.384 . 0 0 "[ . 1 . 2]" 1
889 1 54 ASP H 1 55 GLY H . . 3.290 2.146 1.890 2.361 . 0 0 "[ . 1 . 2]" 1
890 1 54 ASP H 1 55 GLY HA2 . . 5.000 4.478 4.171 4.781 . 0 0 "[ . 1 . 2]" 1
891 1 54 ASP HA 1 54 ASP HB3 . . 2.970 2.962 2.781 3.049 0.079 20 0 "[ . 1 . 2]" 1
892 1 54 ASP HB2 1 55 GLY H . . 4.670 3.882 3.043 4.369 . 0 0 "[ . 1 . 2]" 1
893 1 54 ASP HB3 1 55 GLY H . . 4.750 3.278 2.496 3.932 . 0 0 "[ . 1 . 2]" 1
894 1 55 GLY H 1 56 GLU H . . 4.450 4.509 4.479 4.539 0.089 6 0 "[ . 1 . 2]" 1
895 1 55 GLY HA2 1 56 GLU H . . 3.140 2.733 2.535 3.042 . 0 0 "[ . 1 . 2]" 1
896 1 55 GLY HA2 1 56 GLU HB3 . . 5.080 5.180 4.914 5.957 0.877 6 2 "[ .+ 1 .- 2]" 1
897 1 55 GLY HA3 1 56 GLU H . . 3.120 2.486 2.276 2.811 . 0 0 "[ . 1 . 2]" 1
898 1 55 GLY HA3 1 56 GLU HB3 . . 5.170 4.767 4.394 5.622 0.452 6 0 "[ . 1 . 2]" 1
899 1 56 GLU H 1 56 GLU HB2 . . 3.280 2.471 2.117 2.847 . 0 0 "[ . 1 . 2]" 1
900 1 56 GLU H 1 56 GLU HB3 . . 3.140 2.493 2.159 3.379 0.239 6 0 "[ . 1 . 2]" 1
901 1 56 GLU H 1 56 GLU HG2 . . 4.300 4.351 3.897 4.476 0.176 19 0 "[ . 1 . 2]" 1
902 1 56 GLU H 1 56 GLU HG3 . . 4.500 4.331 3.347 4.547 0.047 2 0 "[ . 1 . 2]" 1
903 1 56 GLU H 1 57 TRP H . . 4.560 4.568 4.371 4.628 0.068 1 0 "[ . 1 . 2]" 1
904 1 56 GLU HA 1 56 GLU HG2 . . 4.050 3.116 2.313 3.756 . 0 0 "[ . 1 . 2]" 1
905 1 56 GLU HA 1 56 GLU HG3 . . 4.120 2.616 2.370 3.590 . 0 0 "[ . 1 . 2]" 1
906 1 56 GLU HA 1 57 TRP H . . 2.820 2.169 2.061 2.330 . 0 0 "[ . 1 . 2]" 1
907 1 56 GLU HA 1 57 TRP HA . . 4.680 4.419 4.333 4.476 . 0 0 "[ . 1 . 2]" 1
908 1 56 GLU HB2 1 57 TRP H . . 4.240 4.109 3.811 4.310 0.070 8 0 "[ . 1 . 2]" 1
909 1 56 GLU HB3 1 57 TRP H . . 4.230 4.049 3.172 4.295 0.065 11 0 "[ . 1 . 2]" 1
910 1 56 GLU HG2 1 57 TRP H . . 5.100 3.077 2.037 4.936 . 0 0 "[ . 1 . 2]" 1
911 1 56 GLU HG3 1 57 TRP H . . 5.110 3.012 2.075 4.199 . 0 0 "[ . 1 . 2]" 1
912 1 57 TRP H 1 57 TRP HB2 . . 3.380 2.516 2.256 2.641 . 0 0 "[ . 1 . 2]" 1
913 1 57 TRP H 1 58 GLU H . . 5.060 4.567 4.122 4.721 . 0 0 "[ . 1 . 2]" 1
914 1 57 TRP HA 1 57 TRP HE1 . . 5.500 4.958 4.716 5.224 . 0 0 "[ . 1 . 2]" 1
915 1 57 TRP HA 1 58 GLU H . . 2.770 2.220 1.861 2.419 . 0 0 "[ . 1 . 2]" 1
916 1 57 TRP HA 1 58 GLU QG . . 5.150 4.555 3.906 5.254 0.104 5 0 "[ . 1 . 2]" 1
917 1 57 TRP HB2 1 57 TRP HE3 . . 3.780 4.046 3.883 4.149 0.369 2 0 "[ . 1 . 2]" 1
918 1 57 TRP HB2 1 58 GLU H . . 4.040 4.129 3.961 4.293 0.253 11 0 "[ . 1 . 2]" 1
919 1 57 TRP HE1 1 58 GLU H . . 5.500 4.554 3.896 5.327 . 0 0 "[ . 1 . 2]" 1
920 1 57 TRP HE1 1 59 PRO HA . . 5.230 4.098 3.715 4.447 . 0 0 "[ . 1 . 2]" 1
921 1 57 TRP HE1 1 60 PRO HD2 . . 5.500 5.406 4.783 5.580 0.080 18 0 "[ . 1 . 2]" 1
922 1 57 TRP HE1 1 60 PRO HD3 . . 5.480 4.466 3.790 4.847 . 0 0 "[ . 1 . 2]" 1
923 1 57 TRP HE3 1 58 GLU HA . . 4.840 3.839 3.001 4.474 . 0 0 "[ . 1 . 2]" 1
924 1 57 TRP HH2 1 59 PRO HA . . 4.370 3.432 2.997 3.985 . 0 0 "[ . 1 . 2]" 1
925 1 57 TRP HH2 1 59 PRO HB2 . . 5.010 3.921 3.803 4.049 . 0 0 "[ . 1 . 2]" 1
926 1 57 TRP HH2 1 59 PRO HB3 . . 4.080 2.225 2.098 2.356 . 0 0 "[ . 1 . 2]" 1
927 1 57 TRP HH2 1 59 PRO HG3 . . 4.620 2.783 2.443 3.418 . 0 0 "[ . 1 . 2]" 1
928 1 57 TRP HH2 1 60 PRO HD3 . . 5.270 5.248 4.654 5.348 0.078 13 0 "[ . 1 . 2]" 1
929 1 57 TRP HZ2 1 59 PRO HA . . 4.110 2.605 2.251 3.226 . 0 0 "[ . 1 . 2]" 1
930 1 57 TRP HZ2 1 59 PRO HB2 . . 4.550 4.620 4.558 4.634 0.084 7 0 "[ . 1 . 2]" 1
931 1 57 TRP HZ2 1 59 PRO HB3 . . 4.350 3.145 2.954 3.262 . 0 0 "[ . 1 . 2]" 1
932 1 57 TRP HZ2 1 60 PRO HD2 . . 4.410 3.526 2.954 3.785 . 0 0 "[ . 1 . 2]" 1
933 1 57 TRP HZ2 1 60 PRO HD3 . . 4.880 3.624 3.032 3.850 . 0 0 "[ . 1 . 2]" 1
934 1 57 TRP HZ2 1 60 PRO QG . . 5.500 4.907 4.404 5.147 . 0 0 "[ . 1 . 2]" 1
935 1 57 TRP HZ3 1 58 GLU HA . . 5.320 4.770 3.797 5.383 0.063 3 0 "[ . 1 . 2]" 1
936 1 57 TRP HZ3 1 59 PRO HB2 . . 5.270 5.085 4.634 5.315 0.045 10 0 "[ . 1 . 2]" 1
937 1 57 TRP HZ3 1 59 PRO HB3 . . 4.200 3.794 3.253 4.061 . 0 0 "[ . 1 . 2]" 1
938 1 57 TRP HZ3 1 59 PRO HD2 . . 5.130 4.591 4.182 5.005 . 0 0 "[ . 1 . 2]" 1
939 1 57 TRP HZ3 1 59 PRO HD3 . . 4.450 3.013 2.470 3.529 . 0 0 "[ . 1 . 2]" 1
940 1 57 TRP HZ3 1 59 PRO HG2 . . 4.170 4.229 4.208 4.244 0.074 8 0 "[ . 1 . 2]" 1
941 1 57 TRP HZ3 1 59 PRO HG3 . . 3.910 2.522 2.446 2.640 . 0 0 "[ . 1 . 2]" 1
942 1 58 GLU H 1 58 GLU HB2 . . 3.530 2.880 2.442 3.958 0.428 14 0 "[ . 1 . 2]" 1
943 1 58 GLU H 1 58 GLU HB3 . . 3.880 3.566 2.409 3.897 0.017 20 0 "[ . 1 . 2]" 1
944 1 58 GLU H 1 58 GLU QG . . 4.100 3.392 2.454 4.077 . 0 0 "[ . 1 . 2]" 1
945 1 58 GLU H 1 59 PRO HD2 . . 5.500 4.918 4.720 5.123 . 0 0 "[ . 1 . 2]" 1
946 1 58 GLU H 1 59 PRO HD3 . . 5.500 4.438 4.048 4.660 . 0 0 "[ . 1 . 2]" 1
947 1 58 GLU HA 1 58 GLU QG . . 3.620 2.495 2.156 3.513 . 0 0 "[ . 1 . 2]" 1
948 1 58 GLU HA 1 59 PRO HD2 . . 2.950 2.433 2.161 2.668 . 0 0 "[ . 1 . 2]" 1
949 1 58 GLU HA 1 59 PRO HD3 . . 2.980 2.138 2.074 2.204 . 0 0 "[ . 1 . 2]" 1
950 1 58 GLU HA 1 59 PRO HG2 . . 4.450 4.484 4.326 4.535 0.085 8 0 "[ . 1 . 2]" 1
951 1 58 GLU HA 1 59 PRO HG3 . . 4.260 4.327 4.279 4.339 0.079 7 0 "[ . 1 . 2]" 1
952 1 58 GLU HB2 1 59 PRO HD3 . . 4.850 4.628 3.254 4.935 0.085 17 0 "[ . 1 . 2]" 1
953 1 58 GLU HB3 1 59 PRO HD2 . . 3.900 3.255 2.569 4.603 0.703 5 1 "[ + 1 . 2]" 1
954 1 58 GLU HB3 1 59 PRO HD3 . . 4.950 4.135 3.701 4.916 . 0 0 "[ . 1 . 2]" 1
955 1 58 GLU QG 1 59 PRO HD2 . . 3.550 3.379 2.233 3.650 0.100 19 0 "[ . 1 . 2]" 1
956 1 58 GLU QG 1 59 PRO HD3 . . 5.210 3.992 3.271 4.456 . 0 0 "[ . 1 . 2]" 1
957 1 59 PRO HA 1 60 PRO HD2 . . 3.370 2.392 2.184 2.825 . 0 0 "[ . 1 . 2]" 1
958 1 59 PRO HA 1 60 PRO QG . . 4.130 4.074 3.952 4.138 0.008 9 0 "[ . 1 . 2]" 1
959 1 59 PRO HB2 1 60 PRO HA . . 4.820 4.629 4.485 4.823 0.003 12 0 "[ . 1 . 2]" 1
960 1 59 PRO HB2 1 60 PRO HD2 . . 3.450 2.959 2.589 3.350 . 0 0 "[ . 1 . 2]" 1
961 1 59 PRO HB2 1 60 PRO HD3 . . 4.430 4.195 3.814 4.507 0.077 12 0 "[ . 1 . 2]" 1
962 1 59 PRO HB3 1 60 PRO HD2 . . 4.060 2.901 2.688 3.300 . 0 0 "[ . 1 . 2]" 1
963 1 59 PRO HB3 1 60 PRO HD3 . . 4.900 4.054 3.473 4.447 . 0 0 "[ . 1 . 2]" 1
964 1 60 PRO HA 1 61 VAL H . . 2.630 2.471 2.340 2.701 0.071 6 0 "[ . 1 . 2]" 1
965 1 60 PRO HA 1 61 VAL QG . . 4.450 3.406 3.090 3.718 . 0 0 "[ . 1 . 2]" 1
966 1 60 PRO HB2 1 61 VAL H . . 4.080 2.795 2.047 3.294 . 0 0 "[ . 1 . 2]" 1
967 1 60 PRO HB2 1 61 VAL QG . . 5.230 4.384 4.114 4.612 . 0 0 "[ . 1 . 2]" 1
968 1 60 PRO HB2 1 62 ILE MG . . 4.720 3.031 2.466 3.489 . 0 0 "[ . 1 . 2]" 1
969 1 60 PRO HB3 1 61 VAL H . . 3.770 3.632 2.803 3.857 0.087 12 0 "[ . 1 . 2]" 1
970 1 60 PRO HB3 1 61 VAL QG . . 5.500 4.908 4.673 5.167 . 0 0 "[ . 1 . 2]" 1
971 1 60 PRO QG 1 61 VAL H . . 4.830 4.262 3.537 4.684 . 0 0 "[ . 1 . 2]" 1
972 1 61 VAL H 1 61 VAL HB . . 3.600 3.039 2.815 3.337 . 0 0 "[ . 1 . 2]" 1
973 1 61 VAL H 1 61 VAL QG . . 3.510 2.246 1.942 2.711 . 0 0 "[ . 1 . 2]" 1
974 1 61 VAL H 1 62 ILE H . . 4.790 4.304 4.047 4.482 . 0 0 "[ . 1 . 2]" 1
975 1 61 VAL H 1 62 ILE MG . . 5.490 4.036 3.667 4.429 . 0 0 "[ . 1 . 2]" 1
976 1 61 VAL HA 1 62 ILE H . . 2.910 2.171 2.088 2.291 . 0 0 "[ . 1 . 2]" 1
977 1 61 VAL HA 1 62 ILE MG . . 4.740 3.443 3.083 3.712 . 0 0 "[ . 1 . 2]" 1
978 1 61 VAL HB 1 62 ILE H . . 4.170 3.840 3.338 4.094 . 0 0 "[ . 1 . 2]" 1
979 1 61 VAL HB 1 62 ILE MG . . 4.960 5.030 4.914 5.075 0.115 5 0 "[ . 1 . 2]" 1
980 1 61 VAL QG 1 62 ILE H . . 4.330 2.720 1.800 3.061 . 0 0 "[ . 1 . 2]" 1
981 1 61 VAL QG 1 62 ILE HA . . 5.010 4.345 3.530 4.634 . 0 0 "[ . 1 . 2]" 1
982 1 61 VAL QG 1 62 ILE QG . . 5.340 4.116 3.462 4.405 . 0 0 "[ . 1 . 2]" 1
983 1 62 ILE H 1 62 ILE QG . . 4.020 2.251 2.081 2.557 . 0 0 "[ . 1 . 2]" 1
984 1 62 ILE H 1 62 ILE MG . . 4.500 2.645 2.357 2.959 . 0 0 "[ . 1 . 2]" 1
985 1 62 ILE H 1 63 GLN H . . 4.560 4.483 4.326 4.564 0.004 7 0 "[ . 1 . 2]" 1
986 1 62 ILE HA 1 62 ILE QG . . 4.000 3.364 3.312 3.387 . 0 0 "[ . 1 . 2]" 1
987 1 62 ILE HA 1 62 ILE MG . . 3.190 2.379 2.303 2.509 . 0 0 "[ . 1 . 2]" 1
988 1 62 ILE HA 1 63 GLN H . . 2.980 2.449 2.303 2.662 . 0 0 "[ . 1 . 2]" 1
989 1 62 ILE HA 1 63 GLN HA . . 4.450 4.342 4.238 4.420 . 0 0 "[ . 1 . 2]" 1
990 1 62 ILE HA 1 63 GLN QB . . 4.110 4.149 3.956 4.196 0.086 1 0 "[ . 1 . 2]" 1
991 1 62 ILE HB 1 62 ILE MD . . 3.030 2.364 2.306 2.417 . 0 0 "[ . 1 . 2]" 1
992 1 62 ILE HB 1 63 GLN H . . 3.220 2.554 2.398 2.799 . 0 0 "[ . 1 . 2]" 1
993 1 62 ILE MD 1 63 GLN H . . 4.260 4.090 3.619 4.337 0.077 19 0 "[ . 1 . 2]" 1
994 1 62 ILE MD 1 65 PRO HA . . 5.500 5.392 3.873 5.610 0.110 1 0 "[ . 1 . 2]" 1
995 1 62 ILE MD 1 65 PRO HD3 . . 4.290 3.266 2.697 4.389 0.099 11 0 "[ . 1 . 2]" 1
996 1 62 ILE QG 1 62 ILE MG . . 2.400 2.340 2.284 2.394 . 0 0 "[ . 1 . 2]" 1
997 1 62 ILE QG 1 63 GLN H . . 4.310 3.411 3.096 3.573 . 0 0 "[ . 1 . 2]" 1
998 1 62 ILE MG 1 63 GLN H . . 4.260 3.896 3.719 4.082 . 0 0 "[ . 1 . 2]" 1
999 1 63 GLN H 1 63 GLN QB . . 2.780 2.266 2.170 2.427 . 0 0 "[ . 1 . 2]" 1
1000 1 63 GLN H 1 63 GLN HE21 . . 5.500 5.327 4.909 5.579 0.079 17 0 "[ . 1 . 2]" 1
1001 1 63 GLN HA 1 63 GLN HE21 . . 5.500 2.887 2.305 3.529 . 0 0 "[ . 1 . 2]" 1
1002 1 63 GLN HA 1 63 GLN HE22 . . 5.500 4.153 3.336 4.864 . 0 0 "[ . 1 . 2]" 1
1003 1 63 GLN HA 1 63 GLN QG . . 3.650 2.468 2.098 3.136 . 0 0 "[ . 1 . 2]" 1
1004 1 63 GLN HA 1 64 ASN H . . 2.740 2.137 1.970 2.368 . 0 0 "[ . 1 . 2]" 1
1005 1 63 GLN HA 1 64 ASN HA . . 5.360 4.411 4.267 4.547 . 0 0 "[ . 1 . 2]" 1
1006 1 63 GLN QB 1 64 ASN H . . 4.080 3.781 3.515 4.049 . 0 0 "[ . 1 . 2]" 1
1007 1 63 GLN HE21 1 64 ASN H . . 5.500 2.441 2.030 3.674 . 0 0 "[ . 1 . 2]" 1
1008 1 63 GLN HE21 1 64 ASN HB3 . . 4.510 3.147 2.307 4.580 0.070 6 0 "[ . 1 . 2]" 1
1009 1 63 GLN HE21 1 67 TYR QB . . 4.980 3.242 2.692 4.346 . 0 0 "[ . 1 . 2]" 1
1010 1 63 GLN HE21 1 67 TYR QD . . 4.260 4.011 3.135 4.353 0.093 1 0 "[ . 1 . 2]" 1
1011 1 63 GLN HE22 1 67 TYR QB . . 5.500 2.944 1.761 5.538 0.038 1 0 "[ . 1 . 2]" 1
1012 1 63 GLN QG 1 64 ASN H . . 4.640 3.297 2.602 4.373 . 0 0 "[ . 1 . 2]" 1
1013 1 63 GLN QG 1 67 TYR QD . . 5.400 5.058 3.643 5.498 0.098 13 0 "[ . 1 . 2]" 1
1014 1 64 ASN H 1 64 ASN HB2 . . 3.580 2.313 2.090 3.202 . 0 0 "[ . 1 . 2]" 1
1015 1 64 ASN H 1 64 ASN HB3 . . 3.560 2.810 2.197 3.643 0.083 19 0 "[ . 1 . 2]" 1
1016 1 64 ASN H 1 65 PRO HD2 . . 5.500 4.874 4.707 5.051 . 0 0 "[ . 1 . 2]" 1
1017 1 64 ASN H 1 65 PRO HD3 . . 4.790 4.647 4.034 4.867 0.077 11 0 "[ . 1 . 2]" 1
1018 1 64 ASN H 1 67 TYR QB . . 4.300 4.207 3.714 4.403 0.103 11 0 "[ . 1 . 2]" 1
1019 1 64 ASN H 1 67 TYR QD . . 5.500 5.118 4.562 5.581 0.081 19 0 "[ . 1 . 2]" 1
1020 1 64 ASN HA 1 65 PRO HD2 . . 3.150 2.324 2.136 2.959 . 0 0 "[ . 1 . 2]" 1
1021 1 64 ASN HA 1 65 PRO HD3 . . 3.200 2.521 2.212 2.801 . 0 0 "[ . 1 . 2]" 1
1022 1 64 ASN HA 1 65 PRO QG . . 4.460 4.052 3.935 4.390 . 0 0 "[ . 1 . 2]" 1
1023 1 64 ASN HA 1 67 TYR H . . 5.200 4.622 4.245 5.298 0.098 11 0 "[ . 1 . 2]" 1
1024 1 64 ASN HB2 1 67 TYR H . . 4.060 4.113 3.248 4.589 0.529 3 1 "[ + . 1 . 2]" 1
1025 1 64 ASN HB3 1 67 TYR H . . 4.590 2.868 1.931 4.141 . 0 0 "[ . 1 . 2]" 1
1026 1 64 ASN HB3 1 67 TYR QB . . 3.830 2.205 1.999 2.932 . 0 0 "[ . 1 . 2]" 1
1027 1 65 PRO HB3 1 66 GLU H . . 4.750 4.443 4.055 4.664 . 0 0 "[ . 1 . 2]" 1
1028 1 65 PRO HD2 1 66 GLU H . . 4.560 3.145 2.466 4.607 0.047 6 0 "[ . 1 . 2]" 1
1029 1 66 GLU H 1 66 GLU QG . . 3.970 3.026 1.921 3.815 . 0 0 "[ . 1 . 2]" 1
1030 1 66 GLU HA 1 66 GLU QG . . 3.560 2.803 1.991 3.280 . 0 0 "[ . 1 . 2]" 1
1031 1 66 GLU QB 1 66 GLU QG . . 2.400 2.069 1.818 2.106 . 0 0 "[ . 1 . 2]" 1
1032 1 66 GLU QB 1 67 TYR H . . 4.930 3.307 2.196 4.104 . 0 0 "[ . 1 . 2]" 1
1033 1 66 GLU QB 1 68 LYS HA . . 5.500 4.956 3.770 5.401 . 0 0 "[ . 1 . 2]" 1
1034 1 66 GLU QG 1 67 TYR H . . 4.270 3.372 1.888 4.090 . 0 0 "[ . 1 . 2]" 1
1035 1 66 GLU QG 1 68 LYS HA . . 5.480 4.949 3.525 5.362 . 0 0 "[ . 1 . 2]" 1
1036 1 67 TYR H 1 67 TYR QB . . 3.080 2.484 2.042 2.849 . 0 0 "[ . 1 . 2]" 1
1037 1 67 TYR H 1 68 LYS H . . 4.290 3.953 2.819 4.385 0.095 7 0 "[ . 1 . 2]" 1
1038 1 67 TYR HA 1 67 TYR QD . . 3.340 2.762 2.135 3.339 . 0 0 "[ . 1 . 2]" 1
1039 1 67 TYR HA 1 67 TYR QE . . 5.130 4.601 4.286 5.081 . 0 0 "[ . 1 . 2]" 1
1040 1 67 TYR HA 1 68 LYS H . . 2.900 2.262 1.996 2.986 0.086 2 0 "[ . 1 . 2]" 1
1041 1 67 TYR QB 1 68 LYS H . . 4.290 3.967 3.712 4.087 . 0 0 "[ . 1 . 2]" 1
1042 1 67 TYR QD 1 68 LYS H . . 4.000 3.797 2.367 4.094 0.094 20 0 "[ . 1 . 2]" 1
1043 1 67 TYR QD 1 68 LYS HA . . 5.440 4.918 4.541 5.290 . 0 0 "[ . 1 . 2]" 1
1044 1 67 TYR QD 1 69 GLY HA2 . . 5.140 3.198 2.180 4.165 . 0 0 "[ . 1 . 2]" 1
1045 1 67 TYR QD 1 69 GLY HA3 . . 5.500 3.542 2.574 5.056 . 0 0 "[ . 1 . 2]" 1
1046 1 67 TYR QE 1 68 LYS H . . 5.500 5.058 4.056 5.609 0.109 2 0 "[ . 1 . 2]" 1
1047 1 67 TYR QE 1 69 GLY HA2 . . 3.690 2.365 1.979 2.979 . 0 0 "[ . 1 . 2]" 1
1048 1 67 TYR QE 1 69 GLY HA3 . . 4.180 3.293 2.114 4.269 0.089 6 0 "[ . 1 . 2]" 1
1049 1 67 TYR QE 1 70 GLU H . . 5.500 4.663 2.323 5.576 0.076 10 0 "[ . 1 . 2]" 1
1050 1 67 TYR QE 1 70 GLU HA . . 5.500 5.374 3.628 5.617 0.117 14 0 "[ . 1 . 2]" 1
1051 1 68 LYS H 1 68 LYS HB2 . . 3.640 2.697 2.412 3.567 . 0 0 "[ . 1 . 2]" 1
1052 1 68 LYS H 1 68 LYS HB3 . . 3.730 3.657 3.506 3.823 0.093 2 0 "[ . 1 . 2]" 1
1053 1 68 LYS H 1 68 LYS HG2 . . 3.610 3.388 2.831 3.655 0.045 19 0 "[ . 1 . 2]" 1
1054 1 68 LYS H 1 68 LYS HG3 . . 4.210 2.326 1.975 2.652 . 0 0 "[ . 1 . 2]" 1
1055 1 68 LYS H 1 69 GLY H . . 4.300 2.995 2.451 3.896 . 0 0 "[ . 1 . 2]" 1
1056 1 68 LYS HA 1 68 LYS HD2 . . 4.500 4.512 4.265 4.581 0.081 7 0 "[ . 1 . 2]" 1
1057 1 68 LYS HA 1 68 LYS HD3 . . 4.880 4.356 3.960 4.750 . 0 0 "[ . 1 . 2]" 1
1058 1 68 LYS HA 1 68 LYS QE . . 4.930 4.815 4.401 5.030 0.100 15 0 "[ . 1 . 2]" 1
1059 1 68 LYS HA 1 68 LYS HG2 . . 3.960 2.518 2.269 2.736 . 0 0 "[ . 1 . 2]" 1
1060 1 68 LYS HA 1 68 LYS HG3 . . 3.550 3.095 2.758 3.270 . 0 0 "[ . 1 . 2]" 1
1061 1 68 LYS HA 1 70 GLU H . . 5.500 5.193 4.107 5.579 0.079 4 0 "[ . 1 . 2]" 1
1062 1 68 LYS HB2 1 68 LYS HD2 . . 2.400 2.401 2.191 2.484 0.084 20 0 "[ . 1 . 2]" 1
1063 1 68 LYS HB2 1 68 LYS QE . . 4.320 3.635 2.589 4.099 . 0 0 "[ . 1 . 2]" 1
1064 1 68 LYS HB2 1 68 LYS HG2 . . 3.050 3.038 2.998 3.066 0.016 1 0 "[ . 1 . 2]" 1
1065 1 68 LYS HB3 1 68 LYS HD2 . . 3.140 2.759 2.303 3.161 0.021 17 0 "[ . 1 . 2]" 1
1066 1 68 LYS HB3 1 68 LYS HD3 . . 3.320 2.704 2.287 3.383 0.063 10 0 "[ . 1 . 2]" 1
1067 1 68 LYS HB3 1 68 LYS QE . . 4.120 3.977 3.628 4.191 0.071 6 0 "[ . 1 . 2]" 1
1068 1 68 LYS HB3 1 68 LYS HG2 . . 2.400 2.436 2.325 2.477 0.077 11 0 "[ . 1 . 2]" 1
1069 1 68 LYS HD2 1 68 LYS HG2 . . 3.020 2.962 2.728 3.033 0.013 17 0 "[ . 1 . 2]" 1
1070 1 68 LYS HD3 1 68 LYS HG2 . . 2.410 2.390 2.259 2.472 0.062 17 0 "[ . 1 . 2]" 1
1071 1 69 GLY H 1 70 GLU H . . 4.870 3.963 2.481 4.532 . 0 0 "[ . 1 . 2]" 1
1072 1 69 GLY HA3 1 70 GLU H . . 3.240 2.527 2.104 3.600 0.360 5 0 "[ . 1 . 2]" 1
1073 1 70 GLU H 1 70 GLU HB2 . . 3.450 2.981 2.070 3.545 0.095 5 0 "[ . 1 . 2]" 1
1074 1 70 GLU H 1 70 GLU HB3 . . 3.450 2.918 2.183 3.539 0.089 11 0 "[ . 1 . 2]" 1
1075 1 70 GLU H 1 70 GLU HG2 . . 4.520 3.788 1.691 4.814 0.294 10 0 "[ . 1 . 2]" 1
1076 1 70 GLU H 1 70 GLU HG3 . . 4.720 4.094 2.956 4.590 . 0 0 "[ . 1 . 2]" 1
1077 1 70 GLU HA 1 70 GLU HG3 . . 4.070 3.373 2.153 4.158 0.088 1 0 "[ . 1 . 2]" 1
1078 1 70 GLU HA 1 71 TRP H . . 2.860 2.268 2.050 2.830 . 0 0 "[ . 1 . 2]" 1
1079 1 70 GLU HA 1 71 TRP HB2 . . 5.500 4.841 4.628 4.964 . 0 0 "[ . 1 . 2]" 1
1080 1 70 GLU HA 1 71 TRP HB3 . . 4.860 4.441 4.079 4.811 . 0 0 "[ . 1 . 2]" 1
1081 1 70 GLU HB2 1 70 GLU HG3 . . 2.800 2.563 2.192 3.064 0.264 7 0 "[ . 1 . 2]" 1
1082 1 70 GLU HB2 1 71 TRP H . . 4.180 3.872 2.371 4.605 0.425 18 0 "[ . 1 . 2]" 1
1083 1 70 GLU HB2 1 72 LYS QG . . 4.820 4.329 3.205 5.027 0.207 14 0 "[ . 1 . 2]" 1
1084 1 70 GLU HB3 1 70 GLU HG3 . . 2.860 2.698 2.311 3.019 0.159 5 0 "[ . 1 . 2]" 1
1085 1 70 GLU HB3 1 71 TRP H . . 4.610 3.990 2.930 4.556 . 0 0 "[ . 1 . 2]" 1
1086 1 70 GLU HB3 1 72 LYS QG . . 4.930 4.182 3.262 5.027 0.097 8 0 "[ . 1 . 2]" 1
1087 1 70 GLU HG2 1 71 TRP H . . 5.220 4.303 1.791 5.395 0.175 12 0 "[ . 1 . 2]" 1
1088 1 70 GLU HG2 1 72 LYS QG . . 5.500 4.026 2.396 5.589 0.089 4 0 "[ . 1 . 2]" 1
1089 1 70 GLU HG3 1 71 TRP H . . 5.500 4.126 2.468 5.498 . 0 0 "[ . 1 . 2]" 1
1090 1 71 TRP H 1 71 TRP HB2 . . 3.750 2.920 2.651 3.349 . 0 0 "[ . 1 . 2]" 1
1091 1 71 TRP H 1 71 TRP HB3 . . 3.390 2.322 2.097 2.629 . 0 0 "[ . 1 . 2]" 1
1092 1 71 TRP H 1 72 LYS H . . 4.680 4.583 4.386 4.678 . 0 0 "[ . 1 . 2]" 1
1093 1 71 TRP H 1 72 LYS QG . . 5.500 4.262 3.619 4.647 . 0 0 "[ . 1 . 2]" 1
1094 1 71 TRP HA 1 71 TRP HD1 . . 4.690 3.399 3.248 3.716 . 0 0 "[ . 1 . 2]" 1
1095 1 71 TRP HA 1 71 TRP HE3 . . 4.430 4.450 4.389 4.495 0.065 10 0 "[ . 1 . 2]" 1
1096 1 71 TRP HA 1 72 LYS H . . 2.900 2.300 2.213 2.369 . 0 0 "[ . 1 . 2]" 1
1097 1 71 TRP HA 1 72 LYS HB2 . . 5.500 4.661 4.386 5.001 . 0 0 "[ . 1 . 2]" 1
1098 1 71 TRP HA 1 72 LYS HB3 . . 5.500 5.562 5.511 5.583 0.083 14 0 "[ . 1 . 2]" 1
1099 1 71 TRP HA 1 72 LYS QG . . 5.500 3.324 3.101 3.669 . 0 0 "[ . 1 . 2]" 1
1100 1 71 TRP HB2 1 72 LYS H . . 5.330 3.788 3.545 3.957 . 0 0 "[ . 1 . 2]" 1
1101 1 71 TRP HB3 1 71 TRP HE3 . . 3.860 2.621 2.485 2.706 . 0 0 "[ . 1 . 2]" 1
1102 1 71 TRP HB3 1 72 LYS H . . 5.170 3.923 3.760 4.064 . 0 0 "[ . 1 . 2]" 1
1103 1 71 TRP HD1 1 72 LYS H . . 5.500 3.362 3.182 3.582 . 0 0 "[ . 1 . 2]" 1
1104 1 71 TRP HE1 1 72 LYS HA . . 5.500 5.575 5.552 5.591 0.091 12 0 "[ . 1 . 2]" 1
1105 1 71 TRP HE1 1 73 PRO HA . . 5.500 3.906 3.233 4.359 . 0 0 "[ . 1 . 2]" 1
1106 1 71 TRP HE1 1 73 PRO HB3 . . 5.500 5.299 4.811 5.577 0.077 16 0 "[ . 1 . 2]" 1
1107 1 71 TRP HH2 1 73 PRO HA . . 4.830 3.833 3.516 4.094 . 0 0 "[ . 1 . 2]" 1
1108 1 71 TRP HH2 1 73 PRO HB2 . . 5.360 4.143 3.964 4.464 . 0 0 "[ . 1 . 2]" 1
1109 1 71 TRP HH2 1 73 PRO HB3 . . 4.540 2.407 2.213 2.721 . 0 0 "[ . 1 . 2]" 1
1110 1 71 TRP HH2 1 73 PRO HD3 . . 5.500 3.088 2.611 3.983 . 0 0 "[ . 1 . 2]" 1
1111 1 71 TRP HH2 1 73 PRO QG . . 4.890 3.284 2.612 4.109 . 0 0 "[ . 1 . 2]" 1
1112 1 71 TRP HZ2 1 73 PRO HA . . 4.540 2.682 2.377 2.990 . 0 0 "[ . 1 . 2]" 1
1113 1 71 TRP HZ2 1 73 PRO HB2 . . 4.400 4.256 3.877 4.479 0.079 8 0 "[ . 1 . 2]" 1
1114 1 71 TRP HZ2 1 73 PRO HB3 . . 4.990 2.814 2.275 3.392 . 0 0 "[ . 1 . 2]" 1
1115 1 71 TRP HZ2 1 74 ARG H . . 5.500 4.981 4.542 5.272 . 0 0 "[ . 1 . 2]" 1
1116 1 71 TRP HZ3 1 72 LYS H . . 5.280 5.331 5.235 5.360 0.080 17 0 "[ . 1 . 2]" 1
1117 1 71 TRP HZ3 1 72 LYS QG . . 5.320 5.375 4.838 5.430 0.110 16 0 "[ . 1 . 2]" 1
1118 1 71 TRP HZ3 1 73 PRO HA . . 5.500 5.323 4.820 5.555 0.055 11 0 "[ . 1 . 2]" 1
1119 1 71 TRP HZ3 1 73 PRO HB3 . . 5.100 4.353 3.700 4.837 . 0 0 "[ . 1 . 2]" 1
1120 1 71 TRP HZ3 1 73 PRO HD3 . . 5.260 2.818 2.365 3.235 . 0 0 "[ . 1 . 2]" 1
1121 1 71 TRP HZ3 1 73 PRO QG . . 5.500 4.076 3.491 4.345 . 0 0 "[ . 1 . 2]" 1
1122 1 72 LYS H 1 72 LYS HB2 . . 3.780 3.067 2.913 3.288 . 0 0 "[ . 1 . 2]" 1
1123 1 72 LYS H 1 72 LYS QG . . 4.290 3.017 2.728 3.359 . 0 0 "[ . 1 . 2]" 1
1124 1 72 LYS H 1 73 PRO HA . . 5.500 4.599 4.440 4.821 . 0 0 "[ . 1 . 2]" 1
1125 1 72 LYS H 1 73 PRO HD2 . . 5.450 4.913 4.821 5.017 . 0 0 "[ . 1 . 2]" 1
1126 1 72 LYS H 1 73 PRO HD3 . . 5.500 4.620 4.441 4.762 . 0 0 "[ . 1 . 2]" 1
1127 1 72 LYS HA 1 72 LYS QE . . 5.500 4.426 3.694 5.446 . 0 0 "[ . 1 . 2]" 1
1128 1 72 LYS HA 1 72 LYS QG . . 3.750 2.666 2.404 2.893 . 0 0 "[ . 1 . 2]" 1
1129 1 72 LYS HA 1 73 PRO HB3 . . 5.500 4.766 4.441 4.923 . 0 0 "[ . 1 . 2]" 1
1130 1 72 LYS HA 1 73 PRO HD2 . . 3.020 2.664 2.578 2.774 . 0 0 "[ . 1 . 2]" 1
1131 1 72 LYS HA 1 73 PRO HD3 . . 2.980 2.226 2.083 2.353 . 0 0 "[ . 1 . 2]" 1
1132 1 72 LYS HA 1 73 PRO QG . . 4.130 4.102 4.017 4.179 0.049 20 0 "[ . 1 . 2]" 1
1133 1 72 LYS HA 1 74 ARG H . . 5.500 4.748 4.283 5.282 . 0 0 "[ . 1 . 2]" 1
1134 1 72 LYS HB2 1 72 LYS QE . . 3.530 3.175 2.225 3.624 0.094 13 0 "[ . 1 . 2]" 1
1135 1 72 LYS HB2 1 73 PRO HA . . 5.300 4.995 4.784 5.307 0.007 5 0 "[ . 1 . 2]" 1
1136 1 72 LYS HB2 1 73 PRO HD2 . . 3.770 3.581 3.187 3.828 0.058 4 0 "[ . 1 . 2]" 1
1137 1 72 LYS HB2 1 73 PRO HD3 . . 4.410 4.459 4.279 4.489 0.079 13 0 "[ . 1 . 2]" 1
1138 1 72 LYS HB3 1 72 LYS QE . . 4.480 2.920 2.194 4.178 . 0 0 "[ . 1 . 2]" 1
1139 1 72 LYS HB3 1 72 LYS QG . . 2.750 2.402 2.329 2.492 . 0 0 "[ . 1 . 2]" 1
1140 1 72 LYS HB3 1 73 PRO HD2 . . 4.280 2.316 2.134 2.583 . 0 0 "[ . 1 . 2]" 1
1141 1 72 LYS HB3 1 73 PRO HD3 . . 5.000 3.437 3.249 3.623 . 0 0 "[ . 1 . 2]" 1
1142 1 72 LYS HB3 1 74 ARG H . . 5.500 4.442 3.665 5.572 0.072 1 0 "[ . 1 . 2]" 1
1143 1 72 LYS QG 1 73 PRO HD2 . . 4.720 4.067 3.528 4.433 . 0 0 "[ . 1 . 2]" 1
1144 1 72 LYS QG 1 73 PRO HD3 . . 4.890 4.409 3.792 4.837 . 0 0 "[ . 1 . 2]" 1
1145 1 72 LYS QG 1 74 ARG H . . 5.500 5.317 4.827 5.591 0.091 10 0 "[ . 1 . 2]" 1
1146 1 73 PRO HA 1 74 ARG H . . 2.920 2.606 2.266 2.886 . 0 0 "[ . 1 . 2]" 1
1147 1 73 PRO HB2 1 74 ARG QB . . 4.850 4.589 3.833 4.791 . 0 0 "[ . 1 . 2]" 1
1148 1 73 PRO HD2 1 74 ARG H . . 5.500 4.414 3.770 5.060 . 0 0 "[ . 1 . 2]" 1
1149 1 73 PRO HD3 1 74 ARG H . . 5.500 4.923 4.474 5.285 . 0 0 "[ . 1 . 2]" 1
1150 1 73 PRO QG 1 74 ARG H . . 5.110 4.542 4.081 4.819 . 0 0 "[ . 1 . 2]" 1
1151 1 73 PRO QG 1 74 ARG QB . . 5.500 4.218 3.312 4.955 . 0 0 "[ . 1 . 2]" 1
1152 1 74 ARG H 1 74 ARG QB . . 3.760 2.964 2.608 3.372 . 0 0 "[ . 1 . 2]" 1
1153 1 74 ARG H 1 74 ARG QD . . 5.500 4.951 4.336 5.552 0.052 17 0 "[ . 1 . 2]" 1
1154 1 74 ARG H 1 74 ARG QG . . 4.110 3.910 2.592 4.213 0.103 7 0 "[ . 1 . 2]" 1
1155 1 74 ARG HA 1 74 ARG QD . . 4.870 3.734 2.312 4.573 . 0 0 "[ . 1 . 2]" 1
1156 1 74 ARG HA 1 74 ARG QG . . 4.000 2.569 2.182 3.497 . 0 0 "[ . 1 . 2]" 1
1157 1 74 ARG QB 1 74 ARG QG . . 2.400 2.079 1.982 2.121 . 0 0 "[ . 1 . 2]" 1
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