NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370502 |
1bwe   |
4229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bwe
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 933
_Distance_constraint_stats_list.Viol_count 1686
_Distance_constraint_stats_list.Viol_total 2255.370
_Distance_constraint_stats_list.Viol_max 1.053
_Distance_constraint_stats_list.Viol_rms 0.0327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0669
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 TYR 1.798 0.477 1 0 "[ . 1 . 2]"
1 3 VAL 2.416 0.201 3 0 "[ . 1 . 2]"
1 4 ILE 1.194 0.106 18 0 "[ . 1 . 2]"
1 5 THR 0.127 0.038 1 0 "[ . 1 . 2]"
1 6 GLU 4.383 0.138 2 0 "[ . 1 . 2]"
1 7 PRO 0.374 0.088 15 0 "[ . 1 . 2]"
1 8 CYS 0.219 0.046 19 0 "[ . 1 . 2]"
1 9 ILE 1.505 0.116 2 0 "[ . 1 . 2]"
1 10 GLY 0.599 0.163 13 0 "[ . 1 . 2]"
1 11 THR 1.555 0.163 13 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 1.527 0.076 1 0 "[ . 1 . 2]"
1 14 ALA 0.078 0.061 6 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.251 0.046 3 0 "[ . 1 . 2]"
1 17 VAL 0.614 0.092 14 0 "[ . 1 . 2]"
1 18 GLU 2.331 0.221 10 0 "[ . 1 . 2]"
1 19 VAL 0.897 0.086 1 0 "[ . 1 . 2]"
1 20 CYS 0.547 0.086 1 0 "[ . 1 . 2]"
1 21 PRO 0.027 0.015 14 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 0.076 0.051 13 0 "[ . 1 . 2]"
1 24 CYS 0.398 0.076 1 0 "[ . 1 . 2]"
1 25 ILE 0.066 0.036 4 0 "[ . 1 . 2]"
1 26 HIS 7.298 0.163 8 0 "[ . 1 . 2]"
1 27 GLU 6.123 0.157 13 0 "[ . 1 . 2]"
1 28 GLY 0.889 0.157 13 0 "[ . 1 . 2]"
1 29 GLU 1.659 0.174 11 0 "[ . 1 . 2]"
1 30 ASP 0.991 0.174 11 0 "[ . 1 . 2]"
1 31 GLN 3.626 0.190 16 0 "[ . 1 . 2]"
1 32 TYR 0.266 0.050 5 0 "[ . 1 . 2]"
1 33 TYR 3.724 0.163 8 0 "[ . 1 . 2]"
1 34 ILE 3.168 0.145 3 0 "[ . 1 . 2]"
1 35 ASP 2.842 0.149 10 0 "[ . 1 . 2]"
1 36 PRO 1.125 0.185 15 0 "[ . 1 . 2]"
1 37 ASP 1.538 0.185 15 0 "[ . 1 . 2]"
1 38 VAL 3.115 0.118 7 0 "[ . 1 . 2]"
1 39 CYS 0.026 0.026 10 0 "[ . 1 . 2]"
1 40 ILE 0.097 0.049 1 0 "[ . 1 . 2]"
1 41 ASP 1.007 0.477 1 0 "[ . 1 . 2]"
1 42 CYS 0.067 0.021 12 0 "[ . 1 . 2]"
1 45 CYS 0.947 0.090 2 0 "[ . 1 . 2]"
1 46 GLU 0.017 0.017 18 0 "[ . 1 . 2]"
1 47 ALA 0.087 0.056 7 0 "[ . 1 . 2]"
1 48 VAL 0.992 0.090 2 0 "[ . 1 . 2]"
1 49 CYS 0.178 0.093 1 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.130 0.093 1 0 "[ . 1 . 2]"
1 55 TYR 3.748 0.134 16 0 "[ . 1 . 2]"
1 56 HIS 6.092 0.201 3 0 "[ . 1 . 2]"
1 57 GLU 6.814 0.215 3 0 "[ . 1 . 2]"
1 58 ASP 4.917 0.149 1 0 "[ . 1 . 2]"
1 59 PHE 9.251 0.215 3 0 "[ . 1 . 2]"
1 60 VAL 0.885 0.073 14 0 "[ . 1 . 2]"
1 61 PRO 0.156 0.032 2 0 "[ . 1 . 2]"
1 62 GLU 6.463 0.254 16 0 "[ . 1 . 2]"
1 63 GLU 0.998 0.042 14 0 "[ . 1 . 2]"
1 64 TRP 2.287 0.113 8 0 "[ . 1 . 2]"
1 65 LYS 5.430 0.206 6 0 "[ . 1 . 2]"
1 66 SER 0.624 0.098 6 0 "[ . 1 . 2]"
1 67 TYR 3.291 0.142 16 0 "[ . 1 . 2]"
1 68 ILE 1.357 0.050 3 0 "[ . 1 . 2]"
1 69 GLN 0.397 0.042 17 0 "[ . 1 . 2]"
1 70 LYS 5.962 0.113 1 0 "[ . 1 . 2]"
1 71 ASN 6.177 0.142 16 0 "[ . 1 . 2]"
1 72 ARG 22.163 1.053 2 6 "[ + .* 1 - . * **]"
1 73 ASP 9.625 0.975 10 3 "[ . - + * 2]"
1 74 PHE 0.842 0.070 10 0 "[ . 1 . 2]"
1 75 PHE 16.819 1.053 2 6 "[ + .* 1 - . * **]"
1 76 LYS 4.852 0.975 10 3 "[ . - + * 2]"
1 77 LYS 0.984 0.156 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 39 CYS HB3 . . 4.300 3.366 2.055 3.820 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 41 ASP H . . 4.500 3.316 2.582 4.155 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 36 PRO HA . . 3.800 2.285 2.021 3.073 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 36 PRO HB3 . . 4.100 2.701 2.397 2.991 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 39 CYS HB3 . . 3.940 2.742 2.132 3.412 . 0 0 "[ . 1 . 2]" 1
6 1 2 TYR H 1 39 CYS HB3 . . 3.500 3.304 2.856 3.526 0.026 10 0 "[ . 1 . 2]" 1
7 1 2 TYR HA 1 3 VAL H . . 2.900 2.200 2.166 2.263 . 0 0 "[ . 1 . 2]" 1
8 1 2 TYR HA 1 3 VAL HB . . 4.600 4.314 3.711 4.580 . 0 0 "[ . 1 . 2]" 1
9 1 2 TYR HA 1 3 VAL QG . . 7.800 3.443 3.123 3.772 . 0 0 "[ . 1 . 2]" 1
10 1 2 TYR HA 1 56 HIS H . . 5.700 4.508 4.310 4.649 . 0 0 "[ . 1 . 2]" 1
11 1 2 TYR HA 1 56 HIS HA . . 2.400 2.154 2.068 2.247 . 0 0 "[ . 1 . 2]" 1
12 1 2 TYR HA 1 56 HIS HD2 . . 6.000 4.237 3.155 5.830 . 0 0 "[ . 1 . 2]" 1
13 1 2 TYR HA 1 57 GLU H . . 3.100 3.138 3.052 3.210 0.110 20 0 "[ . 1 . 2]" 1
14 1 2 TYR QR 1 41 ASP H . . 4.800 4.085 3.665 5.277 0.477 1 0 "[ . 1 . 2]" 1
15 1 2 TYR QD 1 46 GLU HA . . 8.000 5.141 4.402 5.858 . 0 0 "[ . 1 . 2]" 1
16 1 2 TYR QD 1 46 GLU QB . . 8.000 3.200 2.715 3.947 . 0 0 "[ . 1 . 2]" 1
17 1 2 TYR QD 1 56 HIS H . . 8.000 3.827 3.266 4.452 . 0 0 "[ . 1 . 2]" 1
18 1 2 TYR QD 1 56 HIS HB2 . . 8.000 4.350 2.992 5.084 . 0 0 "[ . 1 . 2]" 1
19 1 2 TYR QE 1 46 GLU QB . . 4.770 3.400 2.697 4.178 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL H 1 3 VAL HB . . 2.800 2.712 2.490 2.851 0.051 14 0 "[ . 1 . 2]" 1
21 1 3 VAL H 1 4 ILE H . . 5.200 4.413 4.323 4.481 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL H 1 55 TYR H . . 3.100 3.004 2.886 3.194 0.094 3 0 "[ . 1 . 2]" 1
23 1 3 VAL H 1 55 TYR HB2 . . 6.000 4.474 4.300 4.629 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL H 1 55 TYR QD . . 8.000 5.819 5.746 5.929 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 55 TYR O . . 2.400 1.768 1.747 1.782 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL H 1 56 HIS HA . . 3.300 3.407 3.366 3.501 0.201 3 0 "[ . 1 . 2]" 1
27 1 3 VAL H 1 57 GLU H . . 4.800 3.960 3.694 4.234 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL H 1 60 VAL QG . . 8.400 3.832 3.595 4.357 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL HA 1 4 ILE H . . 2.800 2.169 2.062 2.298 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL HA 1 34 ILE H . . 5.800 4.000 3.636 4.270 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL HB 1 4 ILE H . . 5.200 4.080 3.895 4.265 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HB 1 55 TYR H . . 6.000 4.444 4.178 5.036 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL HB 1 57 GLU HA . . 5.000 3.157 2.693 3.575 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL HB 1 57 GLU HB2 . . 6.000 4.836 3.979 5.711 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL HB 1 57 GLU QB . . 5.320 3.858 3.001 4.690 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL HB 1 57 GLU HB3 . . 6.000 4.126 3.105 5.898 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL HB 1 68 ILE QG . . 4.380 2.847 2.601 3.499 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL HB 1 68 ILE MG . . 6.700 4.603 4.395 4.980 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL QG 1 4 ILE H . . 6.200 2.276 2.101 2.522 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL QG 1 5 THR MG . . 7.300 2.912 2.230 3.667 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL QG 1 55 TYR H . . 8.400 4.352 2.876 4.710 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL QG 1 57 GLU H . . 7.600 3.452 3.129 3.966 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL QG 1 57 GLU QB . . 7.780 2.742 2.028 3.732 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL QG 1 67 TYR H . . 8.400 5.157 4.651 5.779 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL QG 1 67 TYR HB2 . . 8.400 3.560 3.108 4.258 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL QG 1 67 TYR HB3 . . 6.700 3.200 2.797 3.896 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL QG 1 68 ILE H . . 7.600 3.815 3.378 4.186 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL QG 1 68 ILE HA . . 5.200 2.152 2.007 2.335 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL QG 1 68 ILE HB . . 8.400 4.076 3.761 4.285 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL QG 1 68 ILE MD . . 6.000 2.215 1.860 3.277 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL QG 1 68 ILE QG . . 8.880 2.214 1.841 2.563 . 0 0 "[ . 1 . 2]" 1
52 1 3 VAL QG 1 71 ASN H . . 6.500 3.858 3.691 4.025 . 0 0 "[ . 1 . 2]" 1
53 1 3 VAL QG 1 71 ASN QD . . 9.400 2.392 2.246 2.606 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL N 1 55 TYR O . . 3.300 2.778 2.734 2.795 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE H 1 4 ILE HB . . 3.400 2.941 2.155 3.506 0.106 18 0 "[ . 1 . 2]" 1
56 1 4 ILE H 1 34 ILE H . . 3.700 3.433 3.045 3.712 0.012 15 0 "[ . 1 . 2]" 1
57 1 4 ILE H 1 71 ASN QD . . 7.000 3.631 2.892 4.177 . 0 0 "[ . 1 . 2]" 1
58 1 4 ILE HA 1 5 THR H . . 3.500 2.455 2.190 3.521 0.021 17 0 "[ . 1 . 2]" 1
59 1 4 ILE HA 1 5 THR MG . . 7.000 3.753 3.388 4.223 . 0 0 "[ . 1 . 2]" 1
60 1 4 ILE HA 1 8 CYS HB3 . . 5.000 4.858 4.463 5.046 0.046 19 0 "[ . 1 . 2]" 1
61 1 4 ILE HA 1 54 ILE HA . . 3.300 2.443 2.205 3.061 . 0 0 "[ . 1 . 2]" 1
62 1 4 ILE HB 1 31 GLN HE21 . . 6.000 4.704 3.288 5.979 . 0 0 "[ . 1 . 2]" 1
63 1 4 ILE HB 1 31 GLN HE22 . . 6.000 4.591 3.166 6.028 0.028 13 0 "[ . 1 . 2]" 1
64 1 4 ILE HB 1 33 TYR HA . . 5.800 4.092 2.456 5.566 . 0 0 "[ . 1 . 2]" 1
65 1 4 ILE HB 1 71 ASN QD . . 7.000 4.515 2.933 6.171 . 0 0 "[ . 1 . 2]" 1
66 1 5 THR H 1 5 THR MG . . 4.100 3.116 2.613 3.430 . 0 0 "[ . 1 . 2]" 1
67 1 5 THR HA 1 5 THR HB . . 2.800 2.495 2.370 2.560 . 0 0 "[ . 1 . 2]" 1
68 1 5 THR HA 1 5 THR MG . . 3.400 2.311 2.239 2.391 . 0 0 "[ . 1 . 2]" 1
69 1 5 THR HA 1 67 TYR HB3 . . 4.300 3.487 2.731 3.992 . 0 0 "[ . 1 . 2]" 1
70 1 5 THR HA 1 67 TYR QD . . 6.100 3.499 3.167 3.826 . 0 0 "[ . 1 . 2]" 1
71 1 5 THR HA 1 67 TYR QE . . 8.000 4.250 3.768 4.581 . 0 0 "[ . 1 . 2]" 1
72 1 5 THR HB 1 6 GLU HB3 . . 3.800 3.582 3.210 3.838 0.038 1 0 "[ . 1 . 2]" 1
73 1 5 THR HB 1 64 TRP HA . . 6.000 5.261 4.652 5.725 . 0 0 "[ . 1 . 2]" 1
74 1 5 THR HB 1 64 TRP HB2 . . 6.000 4.288 3.955 4.549 . 0 0 "[ . 1 . 2]" 1
75 1 5 THR HB 1 64 TRP HD1 . . 6.000 5.297 4.865 5.659 . 0 0 "[ . 1 . 2]" 1
76 1 5 THR HB 1 64 TRP HE1 . . 6.000 5.521 5.304 5.829 . 0 0 "[ . 1 . 2]" 1
77 1 5 THR HB 1 64 TRP HE3 . . 3.700 3.080 2.865 3.369 . 0 0 "[ . 1 . 2]" 1
78 1 5 THR HB 1 67 TYR QD . . 7.000 3.846 2.878 4.581 . 0 0 "[ . 1 . 2]" 1
79 1 5 THR HB 1 67 TYR QE . . 7.200 4.405 3.768 4.881 . 0 0 "[ . 1 . 2]" 1
80 1 5 THR MG 1 55 TYR H . . 4.700 3.771 3.615 3.921 . 0 0 "[ . 1 . 2]" 1
81 1 5 THR MG 1 55 TYR QD . . 6.700 3.123 2.838 3.784 . 0 0 "[ . 1 . 2]" 1
82 1 5 THR MG 1 55 TYR QE . . 7.800 4.530 4.210 4.979 . 0 0 "[ . 1 . 2]" 1
83 1 5 THR MG 1 60 VAL HA . . 4.900 3.623 3.390 3.899 . 0 0 "[ . 1 . 2]" 1
84 1 5 THR MG 1 60 VAL QG . . 6.700 1.758 1.707 1.799 . 0 0 "[ . 1 . 2]" 1
85 1 5 THR MG 1 61 PRO HD2 . . 5.400 3.822 3.513 4.158 . 0 0 "[ . 1 . 2]" 1
86 1 5 THR MG 1 64 TRP HA . . 7.000 4.610 4.354 4.808 . 0 0 "[ . 1 . 2]" 1
87 1 5 THR MG 1 64 TRP HB2 . . 5.600 3.488 3.185 3.820 . 0 0 "[ . 1 . 2]" 1
88 1 5 THR MG 1 64 TRP HB3 . . 4.600 2.630 2.367 2.861 . 0 0 "[ . 1 . 2]" 1
89 1 5 THR MG 1 64 TRP HE3 . . 5.700 2.883 2.609 3.133 . 0 0 "[ . 1 . 2]" 1
90 1 5 THR MG 1 67 TYR H . . 7.000 4.611 4.339 4.799 . 0 0 "[ . 1 . 2]" 1
91 1 5 THR MG 1 67 TYR HB2 . . 4.100 2.758 2.304 2.968 . 0 0 "[ . 1 . 2]" 1
92 1 5 THR MG 1 67 TYR HB3 . . 4.400 3.592 2.988 3.723 . 0 0 "[ . 1 . 2]" 1
93 1 5 THR MG 1 67 TYR QD . . 7.900 3.399 3.168 3.714 . 0 0 "[ . 1 . 2]" 1
94 1 5 THR MG 1 67 TYR QE . . 6.500 4.741 4.544 4.842 . 0 0 "[ . 1 . 2]" 1
95 1 5 THR MG 1 68 ILE MD . . 5.500 2.916 2.324 3.873 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLU HA 1 6 GLU HB2 . . 2.900 2.386 2.238 2.574 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLU HA 1 6 GLU HG2 . . 3.300 3.391 3.343 3.438 0.138 2 0 "[ . 1 . 2]" 1
98 1 6 GLU HA 1 6 GLU QG . . 2.840 2.280 2.162 2.531 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLU HA 1 6 GLU HG3 . . 3.300 2.319 2.186 2.619 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLU HA 1 9 ILE H . . 4.300 3.682 3.414 3.818 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLU HA 1 9 ILE HB . . 3.700 3.699 3.486 3.816 0.116 2 0 "[ . 1 . 2]" 1
102 1 6 GLU HA 1 9 ILE MD . . 4.000 2.073 2.002 2.330 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLU HA 1 9 ILE HG12 . . 5.100 4.546 3.912 4.851 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLU HA 1 9 ILE QG . . 4.630 3.953 2.890 4.190 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLU HA 1 9 ILE HG13 . . 5.100 4.506 2.934 4.987 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLU HA 1 67 TYR QE . . 6.800 3.713 3.198 4.121 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLU HB2 1 6 GLU HG2 . . 3.000 2.906 2.691 3.015 0.015 19 0 "[ . 1 . 2]" 1
108 1 6 GLU HB2 1 6 GLU QG . . 2.670 2.444 2.388 2.493 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLU HB2 1 6 GLU HG3 . . 3.000 2.650 2.503 2.899 . 0 0 "[ . 1 . 2]" 1
110 1 6 GLU HB2 1 7 PRO QD . . 6.580 3.400 3.095 3.603 . 0 0 "[ . 1 . 2]" 1
111 1 6 GLU HB2 1 7 PRO QG . . 7.000 5.053 4.578 5.452 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLU HB2 1 64 TRP HE1 . . 4.900 3.209 2.822 3.699 . 0 0 "[ . 1 . 2]" 1
113 1 6 GLU HB2 1 64 TRP HH2 . . 6.000 4.907 4.319 5.445 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLU HB2 1 64 TRP HZ2 . . 4.800 3.836 3.226 4.326 . 0 0 "[ . 1 . 2]" 1
115 1 6 GLU HB3 1 7 PRO QG . . 5.200 3.556 3.073 4.017 . 0 0 "[ . 1 . 2]" 1
116 1 6 GLU HB3 1 64 TRP HD1 . . 6.000 5.031 4.480 5.617 . 0 0 "[ . 1 . 2]" 1
117 1 6 GLU HB3 1 64 TRP HE1 . . 6.000 3.570 3.065 3.913 . 0 0 "[ . 1 . 2]" 1
118 1 6 GLU HB3 1 64 TRP HH2 . . 6.000 3.329 3.088 3.777 . 0 0 "[ . 1 . 2]" 1
119 1 6 GLU HB3 1 67 TYR QE . . 6.000 4.046 3.345 4.545 . 0 0 "[ . 1 . 2]" 1
120 1 6 GLU QG 1 9 ILE MD . . 4.880 3.150 2.590 3.627 . 0 0 "[ . 1 . 2]" 1
121 1 6 GLU QG 1 64 TRP HD1 . . 6.880 5.413 5.212 5.716 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLU QG 1 64 TRP HH2 . . 5.380 4.086 3.961 4.217 . 0 0 "[ . 1 . 2]" 1
123 1 6 GLU QG 1 64 TRP HZ2 . . 4.690 2.912 2.682 3.150 . 0 0 "[ . 1 . 2]" 1
124 1 6 GLU QG 1 64 TRP HZ3 . . 6.880 5.736 5.598 5.928 . 0 0 "[ . 1 . 2]" 1
125 1 6 GLU HG2 1 64 TRP HH2 . . 5.600 4.188 4.042 4.348 . 0 0 "[ . 1 . 2]" 1
126 1 6 GLU HG2 1 64 TRP HZ2 . . 5.200 2.955 2.708 3.214 . 0 0 "[ . 1 . 2]" 1
127 1 6 GLU HG3 1 64 TRP HH2 . . 5.600 5.688 5.650 5.713 0.113 8 0 "[ . 1 . 2]" 1
128 1 6 GLU HG3 1 64 TRP HZ2 . . 5.200 4.433 4.316 4.541 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLU O 1 9 ILE H . . 2.400 1.935 1.858 2.066 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLU O 1 9 ILE N . . 3.300 2.906 2.837 3.052 . 0 0 "[ . 1 . 2]" 1
131 1 7 PRO HA 1 9 ILE H . . 3.800 3.810 3.726 3.888 0.088 15 0 "[ . 1 . 2]" 1
132 1 7 PRO QD 1 55 TYR QE . . 8.880 4.249 3.354 5.152 . 0 0 "[ . 1 . 2]" 1
133 1 7 PRO QD 1 64 TRP HE1 . . 6.880 5.138 4.744 5.466 . 0 0 "[ . 1 . 2]" 1
134 1 7 PRO QG 1 55 TYR QE . . 9.000 3.840 2.713 4.694 . 0 0 "[ . 1 . 2]" 1
135 1 7 PRO QG 1 64 TRP HE1 . . 7.000 6.180 5.898 6.283 . 0 0 "[ . 1 . 2]" 1
136 1 7 PRO QG 1 64 TRP HZ3 . . 7.000 3.217 2.847 3.498 . 0 0 "[ . 1 . 2]" 1
137 1 8 CYS H 1 8 CYS HB3 . . 3.500 2.302 2.063 3.032 . 0 0 "[ . 1 . 2]" 1
138 1 8 CYS H 1 9 ILE H . . 3.500 2.598 1.935 2.861 . 0 0 "[ . 1 . 2]" 1
139 1 8 CYS SG 1 13 CYS SG . . 6.380 6.038 5.880 6.269 . 0 0 "[ . 1 . 2]" 1
140 1 8 CYS SG 1 16 CYS SG . . 6.380 5.915 5.714 6.163 . 0 0 "[ . 1 . 2]" 1
141 1 8 CYS SG 1 49 CYS SG . . 6.380 5.851 5.543 6.029 . 0 0 "[ . 1 . 2]" 1
142 1 9 ILE H 1 9 ILE HB . . 2.700 2.396 2.202 2.517 . 0 0 "[ . 1 . 2]" 1
143 1 9 ILE H 1 9 ILE MD . . 4.100 2.314 1.994 3.431 . 0 0 "[ . 1 . 2]" 1
144 1 9 ILE H 1 9 ILE QG . . 3.580 2.949 2.095 3.296 . 0 0 "[ . 1 . 2]" 1
145 1 9 ILE H 1 9 ILE MG . . 4.700 3.772 3.652 3.834 . 0 0 "[ . 1 . 2]" 1
146 1 9 ILE HA 1 9 ILE MD . . 3.900 3.298 2.638 3.533 . 0 0 "[ . 1 . 2]" 1
147 1 9 ILE HA 1 9 ILE HG12 . . 3.600 3.145 2.133 3.527 . 0 0 "[ . 1 . 2]" 1
148 1 9 ILE HA 1 9 ILE HG13 . . 3.600 2.212 2.054 2.746 . 0 0 "[ . 1 . 2]" 1
149 1 9 ILE HA 1 9 ILE MG . . 3.500 2.518 2.330 2.777 . 0 0 "[ . 1 . 2]" 1
150 1 9 ILE HA 1 10 GLY H . . 3.100 2.194 2.085 2.493 . 0 0 "[ . 1 . 2]" 1
151 1 9 ILE HA 1 31 GLN HB2 . . 5.400 3.762 2.585 4.775 . 0 0 "[ . 1 . 2]" 1
152 1 9 ILE HB 1 67 TYR QE . . 8.000 5.769 4.687 6.398 . 0 0 "[ . 1 . 2]" 1
153 1 9 ILE MD 1 31 GLN HB2 . . 6.000 4.308 2.943 5.068 . 0 0 "[ . 1 . 2]" 1
154 1 9 ILE MD 1 31 GLN QG . . 5.980 3.381 2.139 4.433 . 0 0 "[ . 1 . 2]" 1
155 1 9 ILE MD 1 67 TYR QE . . 8.900 2.917 2.598 3.674 . 0 0 "[ . 1 . 2]" 1
156 1 9 ILE QG 1 31 GLN HB2 . . 4.610 3.389 2.120 3.959 . 0 0 "[ . 1 . 2]" 1
157 1 9 ILE QG 1 31 GLN HB3 . . 5.380 3.007 2.096 4.488 . 0 0 "[ . 1 . 2]" 1
158 1 9 ILE QG 1 67 TYR QE . . 6.680 4.167 3.267 5.171 . 0 0 "[ . 1 . 2]" 1
159 1 9 ILE HG12 1 9 ILE MG . . 3.700 2.139 2.073 2.292 . 0 0 "[ . 1 . 2]" 1
160 1 9 ILE HG12 1 31 GLN HB2 . . 5.300 4.707 2.942 5.407 0.107 7 0 "[ . 1 . 2]" 1
161 1 9 ILE HG13 1 9 ILE MG . . 3.700 2.811 2.386 3.177 . 0 0 "[ . 1 . 2]" 1
162 1 9 ILE HG13 1 31 GLN HB2 . . 5.300 3.512 2.137 4.074 . 0 0 "[ . 1 . 2]" 1
163 1 9 ILE MG 1 10 GLY H . . 6.600 3.220 2.346 3.704 . 0 0 "[ . 1 . 2]" 1
164 1 9 ILE MG 1 10 GLY HA2 . . 4.800 3.658 3.114 3.933 . 0 0 "[ . 1 . 2]" 1
165 1 9 ILE MG 1 10 GLY HA3 . . 6.500 4.464 3.233 4.886 . 0 0 "[ . 1 . 2]" 1
166 1 9 ILE MG 1 30 ASP HB2 . . 6.200 4.629 2.762 5.226 . 0 0 "[ . 1 . 2]" 1
167 1 9 ILE MG 1 30 ASP QB . . 5.890 3.667 2.723 4.315 . 0 0 "[ . 1 . 2]" 1
168 1 9 ILE MG 1 30 ASP HB3 . . 6.200 3.998 3.068 5.074 . 0 0 "[ . 1 . 2]" 1
169 1 10 GLY H 1 11 THR H . . 3.900 3.044 2.040 4.063 0.163 13 0 "[ . 1 . 2]" 1
170 1 10 GLY HA2 1 11 THR H . . 2.900 2.588 2.155 2.955 0.055 15 0 "[ . 1 . 2]" 1
171 1 11 THR H 1 11 THR HB . . 3.200 2.930 2.365 3.345 0.145 8 0 "[ . 1 . 2]" 1
172 1 11 THR H 1 11 THR MG . . 4.500 3.349 2.230 3.882 . 0 0 "[ . 1 . 2]" 1
173 1 11 THR HA 1 11 THR HB . . 2.900 2.599 2.341 3.005 0.105 15 0 "[ . 1 . 2]" 1
174 1 12 LYS NZ 1 27 GLU HB2 . . 6.000 5.293 4.879 5.994 . 0 0 "[ . 1 . 2]" 1
175 1 13 CYS HA 1 13 CYS HB3 . . 2.900 2.966 2.947 2.976 0.076 1 0 "[ . 1 . 2]" 1
176 1 13 CYS HB3 1 14 ALA HA . . 5.000 4.496 4.242 5.061 0.061 6 0 "[ . 1 . 2]" 1
177 1 13 CYS HB3 1 31 GLN HA . . 5.000 4.355 3.279 5.054 0.054 19 0 "[ . 1 . 2]" 1
178 1 13 CYS SG 1 16 CYS SG . . 6.380 5.606 5.361 5.798 . 0 0 "[ . 1 . 2]" 1
179 1 13 CYS SG 1 49 CYS SG . . 6.380 5.880 5.778 5.974 . 0 0 "[ . 1 . 2]" 1
180 1 15 SER H 1 15 SER HB2 . . 4.200 3.134 2.567 3.852 . 0 0 "[ . 1 . 2]" 1
181 1 15 SER HB3 1 48 VAL HB . . 5.700 4.748 3.254 5.305 . 0 0 "[ . 1 . 2]" 1
182 1 16 CYS HA 1 16 CYS HB2 . . 2.800 2.459 2.237 2.599 . 0 0 "[ . 1 . 2]" 1
183 1 16 CYS HB2 1 19 VAL QG . . 6.060 3.979 3.534 4.299 . 0 0 "[ . 1 . 2]" 1
184 1 16 CYS HB2 1 25 ILE QG . . 4.500 3.994 3.661 4.144 . 0 0 "[ . 1 . 2]" 1
185 1 16 CYS HB2 1 25 ILE MG . . 4.100 2.649 2.270 3.205 . 0 0 "[ . 1 . 2]" 1
186 1 16 CYS HB2 1 34 ILE QG . . 4.500 4.104 4.069 4.173 . 0 0 "[ . 1 . 2]" 1
187 1 16 CYS HB2 1 45 CYS HA . . 4.000 3.915 3.702 4.033 0.033 18 0 "[ . 1 . 2]" 1
188 1 16 CYS HB2 1 45 CYS HB2 . . 2.600 2.515 2.267 2.646 0.046 3 0 "[ . 1 . 2]" 1
189 1 16 CYS HB2 1 48 VAL QG . . 6.060 4.308 3.956 4.508 . 0 0 "[ . 1 . 2]" 1
190 1 16 CYS HB2 1 54 ILE MD . . 4.400 3.189 2.977 3.427 . 0 0 "[ . 1 . 2]" 1
191 1 16 CYS SG 1 49 CYS SG . . 6.380 6.018 5.935 6.113 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL HA 1 17 VAL HB . . 2.900 2.620 2.301 2.992 0.092 14 0 "[ . 1 . 2]" 1
193 1 17 VAL HA 1 25 ILE HB . . 6.000 3.511 2.333 4.348 . 0 0 "[ . 1 . 2]" 1
194 1 17 VAL HB 1 18 GLU H . . 4.700 2.825 1.983 4.197 . 0 0 "[ . 1 . 2]" 1
195 1 17 VAL QG 1 18 GLU HB3 . . 7.660 3.700 2.743 4.658 . 0 0 "[ . 1 . 2]" 1
196 1 17 VAL QG 1 18 GLU QG . . 8.140 3.485 2.347 4.536 . 0 0 "[ . 1 . 2]" 1
197 1 17 VAL QG 1 32 TYR HB2 . . 6.960 4.499 3.397 5.181 . 0 0 "[ . 1 . 2]" 1
198 1 18 GLU H 1 18 GLU HB2 . . 3.800 3.319 2.442 3.563 . 0 0 "[ . 1 . 2]" 1
199 1 18 GLU H 1 18 GLU HB3 . . 3.700 3.100 2.318 3.798 0.098 12 0 "[ . 1 . 2]" 1
200 1 18 GLU H 1 18 GLU HG2 . . 4.500 3.051 1.984 4.626 0.126 4 0 "[ . 1 . 2]" 1
201 1 18 GLU H 1 18 GLU HG3 . . 4.500 3.373 2.101 4.254 . 0 0 "[ . 1 . 2]" 1
202 1 18 GLU H 1 19 VAL H . . 3.300 3.153 2.641 3.329 0.029 1 0 "[ . 1 . 2]" 1
203 1 18 GLU HA 1 18 GLU HB2 . . 2.700 2.620 2.362 2.921 0.221 10 0 "[ . 1 . 2]" 1
204 1 18 GLU HA 1 18 GLU HB3 . . 3.000 2.444 2.166 3.022 0.022 4 0 "[ . 1 . 2]" 1
205 1 18 GLU HA 1 18 GLU QG . . 3.770 2.989 2.280 3.439 . 0 0 "[ . 1 . 2]" 1
206 1 18 GLU HB3 1 19 VAL H . . 4.600 4.389 2.854 4.682 0.082 17 0 "[ . 1 . 2]" 1
207 1 19 VAL H 1 19 VAL HB . . 3.800 3.342 2.534 3.832 0.032 13 0 "[ . 1 . 2]" 1
208 1 19 VAL H 1 19 VAL MG1 . . 4.800 2.560 2.014 3.199 . 0 0 "[ . 1 . 2]" 1
209 1 19 VAL H 1 19 VAL QG . . 4.090 2.204 1.904 2.588 . 0 0 "[ . 1 . 2]" 1
210 1 19 VAL H 1 19 VAL MG2 . . 4.800 3.135 1.977 4.063 . 0 0 "[ . 1 . 2]" 1
211 1 19 VAL H 1 20 CYS H . . 3.200 2.098 1.915 2.485 . 0 0 "[ . 1 . 2]" 1
212 1 19 VAL H 1 20 CYS HB3 . . 4.400 4.320 3.734 4.486 0.086 1 0 "[ . 1 . 2]" 1
213 1 19 VAL HA 1 19 VAL HB . . 2.900 2.462 2.417 2.507 . 0 0 "[ . 1 . 2]" 1
214 1 19 VAL QG 1 45 CYS HA . . 7.960 2.626 2.233 3.193 . 0 0 "[ . 1 . 2]" 1
215 1 19 VAL QG 1 45 CYS HB2 . . 6.060 3.744 3.074 4.182 . 0 0 "[ . 1 . 2]" 1
216 1 19 VAL QG 1 48 VAL QG . . 8.120 2.040 1.868 2.450 . 0 0 "[ . 1 . 2]" 1
217 1 20 CYS HB3 1 21 PRO QD . . 4.300 3.932 3.901 3.970 . 0 0 "[ . 1 . 2]" 1
218 1 20 CYS HB3 1 23 ASP H . . 3.900 3.203 2.600 3.951 0.051 13 0 "[ . 1 . 2]" 1
219 1 20 CYS HB3 1 23 ASP HA . . 3.300 2.563 1.992 3.235 . 0 0 "[ . 1 . 2]" 1
220 1 20 CYS SG 1 39 CYS SG . . 6.380 6.115 5.924 6.222 . 0 0 "[ . 1 . 2]" 1
221 1 20 CYS SG 1 42 CYS SG . . 6.380 5.827 5.715 5.941 . 0 0 "[ . 1 . 2]" 1
222 1 20 CYS SG 1 45 CYS SG . . 6.380 6.159 5.997 6.270 . 0 0 "[ . 1 . 2]" 1
223 1 21 PRO HB2 1 42 CYS HB3 . . 5.100 5.009 4.777 5.115 0.015 14 0 "[ . 1 . 2]" 1
224 1 21 PRO QG 1 42 CYS HB3 . . 4.500 3.082 2.767 3.709 . 0 0 "[ . 1 . 2]" 1
225 1 22 VAL QG 1 39 CYS HA . . 7.260 3.668 2.576 5.227 . 0 0 "[ . 1 . 2]" 1
226 1 23 ASP QB 1 24 CYS HA . . 5.680 4.542 4.165 4.796 . 0 0 "[ . 1 . 2]" 1
227 1 23 ASP QB 1 24 CYS QB . . 6.750 4.998 4.016 5.485 . 0 0 "[ . 1 . 2]" 1
228 1 24 CYS HA 1 26 HIS HD2 . . 4.600 3.968 3.429 4.381 . 0 0 "[ . 1 . 2]" 1
229 1 24 CYS HA 1 35 ASP H . . 6.000 3.930 3.298 4.285 . 0 0 "[ . 1 . 2]" 1
230 1 24 CYS HA 1 35 ASP HB2 . . 6.000 4.039 3.330 4.671 . 0 0 "[ . 1 . 2]" 1
231 1 24 CYS HA 1 35 ASP HB3 . . 6.000 4.174 3.350 4.630 . 0 0 "[ . 1 . 2]" 1
232 1 24 CYS HA 1 38 VAL HB . . 4.100 3.953 3.178 4.176 0.076 1 0 "[ . 1 . 2]" 1
233 1 24 CYS HA 1 38 VAL MG1 . . 7.000 3.757 3.376 3.999 . 0 0 "[ . 1 . 2]" 1
234 1 24 CYS HA 1 38 VAL QG . . 6.620 3.560 3.197 3.808 . 0 0 "[ . 1 . 2]" 1
235 1 24 CYS HA 1 38 VAL MG2 . . 7.000 4.435 3.901 4.844 . 0 0 "[ . 1 . 2]" 1
236 1 24 CYS QB 1 35 ASP H . . 6.880 2.675 1.983 3.262 . 0 0 "[ . 1 . 2]" 1
237 1 24 CYS QB 1 35 ASP HB2 . . 4.550 3.118 2.552 3.744 . 0 0 "[ . 1 . 2]" 1
238 1 24 CYS QB 1 35 ASP HB3 . . 6.880 2.520 2.124 4.415 . 0 0 "[ . 1 . 2]" 1
239 1 24 CYS QB 1 38 VAL HB . . 4.480 2.343 2.050 3.900 . 0 0 "[ . 1 . 2]" 1
240 1 24 CYS QB 1 38 VAL QG . . 6.340 2.460 2.079 3.923 . 0 0 "[ . 1 . 2]" 1
241 1 24 CYS HB2 1 35 ASP HB2 . . 5.400 3.475 2.572 5.417 0.017 17 0 "[ . 1 . 2]" 1
242 1 24 CYS HB2 1 38 VAL MG1 . . 7.000 3.426 2.746 4.742 . 0 0 "[ . 1 . 2]" 1
243 1 24 CYS HB2 1 38 VAL MG2 . . 7.000 4.047 3.408 5.862 . 0 0 "[ . 1 . 2]" 1
244 1 24 CYS HB3 1 35 ASP HB2 . . 5.400 4.448 2.887 5.264 . 0 0 "[ . 1 . 2]" 1
245 1 24 CYS HB3 1 38 VAL MG1 . . 7.000 2.628 2.158 4.636 . 0 0 "[ . 1 . 2]" 1
246 1 24 CYS HB3 1 38 VAL MG2 . . 7.000 4.018 3.549 5.042 . 0 0 "[ . 1 . 2]" 1
247 1 25 ILE HA 1 26 HIS H . . 2.400 2.186 2.063 2.345 . 0 0 "[ . 1 . 2]" 1
248 1 25 ILE HA 1 26 HIS HB3 . . 5.600 5.491 5.405 5.636 0.036 4 0 "[ . 1 . 2]" 1
249 1 25 ILE HA 1 26 HIS HD2 . . 6.000 3.865 3.335 4.925 . 0 0 "[ . 1 . 2]" 1
250 1 25 ILE HA 1 33 TYR H . . 4.900 4.012 3.290 4.550 . 0 0 "[ . 1 . 2]" 1
251 1 25 ILE HA 1 34 ILE HA . . 3.000 2.485 2.219 2.770 . 0 0 "[ . 1 . 2]" 1
252 1 25 ILE HA 1 35 ASP H . . 5.300 3.792 3.439 4.135 . 0 0 "[ . 1 . 2]" 1
253 1 25 ILE HA 1 75 PHE HZ . . 6.000 5.384 5.092 5.681 . 0 0 "[ . 1 . 2]" 1
254 1 25 ILE MG 1 26 HIS H . . 6.500 3.760 3.414 4.263 . 0 0 "[ . 1 . 2]" 1
255 1 25 ILE MG 1 45 CYS HB2 . . 4.300 3.630 3.531 3.704 . 0 0 "[ . 1 . 2]" 1
256 1 26 HIS H 1 26 HIS HB2 . . 3.000 2.398 2.252 2.505 . 0 0 "[ . 1 . 2]" 1
257 1 26 HIS H 1 26 HIS HB3 . . 3.500 3.597 3.534 3.651 0.151 5 0 "[ . 1 . 2]" 1
258 1 26 HIS H 1 26 HIS HD2 . . 4.300 3.258 2.867 3.690 . 0 0 "[ . 1 . 2]" 1
259 1 26 HIS H 1 27 GLU H . . 5.300 4.480 4.346 4.625 . 0 0 "[ . 1 . 2]" 1
260 1 26 HIS H 1 33 TYR H . . 2.500 2.546 2.505 2.663 0.163 19 0 "[ . 1 . 2]" 1
261 1 26 HIS H 1 33 TYR HB2 . . 6.000 3.518 2.990 4.177 . 0 0 "[ . 1 . 2]" 1
262 1 26 HIS H 1 33 TYR HB3 . . 6.000 3.958 3.636 4.252 . 0 0 "[ . 1 . 2]" 1
263 1 26 HIS H 1 33 TYR O . . 2.400 1.813 1.780 1.865 . 0 0 "[ . 1 . 2]" 1
264 1 26 HIS H 1 34 ILE H . . 5.800 4.789 4.518 4.936 . 0 0 "[ . 1 . 2]" 1
265 1 26 HIS H 1 34 ILE HA . . 3.600 3.635 3.577 3.699 0.099 19 0 "[ . 1 . 2]" 1
266 1 26 HIS H 1 35 ASP H . . 5.000 4.646 4.053 4.927 . 0 0 "[ . 1 . 2]" 1
267 1 26 HIS H 1 75 PHE QE . . 8.000 4.706 4.369 4.889 . 0 0 "[ . 1 . 2]" 1
268 1 26 HIS H 1 75 PHE HZ . . 4.100 3.937 3.613 4.122 0.022 3 0 "[ . 1 . 2]" 1
269 1 26 HIS HA 1 26 HIS HB3 . . 2.900 2.468 2.394 2.556 . 0 0 "[ . 1 . 2]" 1
270 1 26 HIS HA 1 26 HIS HD2 . . 4.500 4.500 4.242 4.576 0.076 3 0 "[ . 1 . 2]" 1
271 1 26 HIS HA 1 27 GLU H . . 2.500 2.369 2.188 2.514 0.014 12 0 "[ . 1 . 2]" 1
272 1 26 HIS HA 1 27 GLU HG3 . . 4.200 4.150 3.846 4.289 0.089 19 0 "[ . 1 . 2]" 1
273 1 26 HIS HB2 1 26 HIS HD2 . . 3.500 2.623 2.534 2.705 . 0 0 "[ . 1 . 2]" 1
274 1 26 HIS HB2 1 27 GLU H . . 4.300 3.904 3.520 4.262 . 0 0 "[ . 1 . 2]" 1
275 1 26 HIS HB2 1 33 TYR H . . 6.000 3.567 3.333 3.767 . 0 0 "[ . 1 . 2]" 1
276 1 26 HIS HB2 1 33 TYR HB3 . . 3.200 3.295 3.245 3.363 0.163 8 0 "[ . 1 . 2]" 1
277 1 26 HIS HB2 1 74 PHE QE . . 6.500 5.696 4.930 5.846 . 0 0 "[ . 1 . 2]" 1
278 1 26 HIS HB2 1 75 PHE QE . . 7.700 2.848 2.549 3.530 . 0 0 "[ . 1 . 2]" 1
279 1 26 HIS HB2 1 75 PHE HZ . . 3.600 2.234 2.166 2.379 . 0 0 "[ . 1 . 2]" 1
280 1 26 HIS HB3 1 27 GLU H . . 3.000 2.860 2.463 3.123 0.123 8 0 "[ . 1 . 2]" 1
281 1 26 HIS HB3 1 33 TYR HB3 . . 6.000 4.821 4.647 4.958 . 0 0 "[ . 1 . 2]" 1
282 1 26 HIS HB3 1 74 PHE QE . . 6.400 5.568 4.925 5.774 . 0 0 "[ . 1 . 2]" 1
283 1 26 HIS HB3 1 75 PHE QE . . 6.500 2.808 2.376 4.273 . 0 0 "[ . 1 . 2]" 1
284 1 26 HIS HD2 1 35 ASP H . . 6.000 3.223 2.869 3.889 . 0 0 "[ . 1 . 2]" 1
285 1 26 HIS HD2 1 35 ASP HB2 . . 6.000 3.202 2.724 4.780 . 0 0 "[ . 1 . 2]" 1
286 1 26 HIS HD2 1 35 ASP HB3 . . 4.800 4.557 4.235 4.747 . 0 0 "[ . 1 . 2]" 1
287 1 26 HIS HD2 1 75 PHE HZ . . 2.900 2.793 2.454 2.942 0.042 7 0 "[ . 1 . 2]" 1
288 1 26 HIS N 1 33 TYR O . . 3.300 2.800 2.748 2.840 . 0 0 "[ . 1 . 2]" 1
289 1 26 HIS O 1 33 TYR H . . 2.400 1.749 1.717 1.782 . 0 0 "[ . 1 . 2]" 1
290 1 26 HIS O 1 33 TYR N . . 3.300 2.677 2.620 2.729 . 0 0 "[ . 1 . 2]" 1
291 1 27 GLU H 1 27 GLU HB2 . . 2.700 2.457 2.263 2.688 . 0 0 "[ . 1 . 2]" 1
292 1 27 GLU H 1 27 GLU HG3 . . 2.800 2.766 2.534 2.907 0.107 14 0 "[ . 1 . 2]" 1
293 1 27 GLU H 1 32 TYR HH . . 6.000 5.343 4.925 5.926 . 0 0 "[ . 1 . 2]" 1
294 1 27 GLU H 1 33 TYR H . . 4.700 4.739 4.660 4.836 0.136 2 0 "[ . 1 . 2]" 1
295 1 27 GLU HA 1 27 GLU HG2 . . 3.100 2.342 2.251 2.510 . 0 0 "[ . 1 . 2]" 1
296 1 27 GLU HA 1 27 GLU HG3 . . 3.300 2.838 2.425 3.168 . 0 0 "[ . 1 . 2]" 1
297 1 27 GLU HA 1 28 GLY H . . 2.800 2.180 2.041 2.427 . 0 0 "[ . 1 . 2]" 1
298 1 27 GLU HA 1 32 TYR HH . . 6.000 5.357 4.844 5.605 . 0 0 "[ . 1 . 2]" 1
299 1 27 GLU HB2 1 27 GLU HG3 . . 2.600 2.494 2.381 2.594 . 0 0 "[ . 1 . 2]" 1
300 1 27 GLU HB2 1 28 GLY H . . 4.200 4.005 3.245 4.357 0.157 13 0 "[ . 1 . 2]" 1
301 1 27 GLU HB2 1 32 TYR HH . . 6.000 4.745 4.334 5.099 . 0 0 "[ . 1 . 2]" 1
302 1 27 GLU HB3 1 27 GLU HG2 . . 2.400 2.421 2.353 2.467 0.067 3 0 "[ . 1 . 2]" 1
303 1 27 GLU HB3 1 28 GLY H . . 4.100 2.971 2.052 4.105 0.005 13 0 "[ . 1 . 2]" 1
304 1 27 GLU HB3 1 32 TYR HH . . 5.100 5.039 4.632 5.150 0.050 5 0 "[ . 1 . 2]" 1
305 1 27 GLU HG2 1 28 GLY H . . 5.700 3.885 3.187 4.601 . 0 0 "[ . 1 . 2]" 1
306 1 27 GLU HG2 1 32 TYR HH . . 3.900 3.382 2.629 3.931 0.031 8 0 "[ . 1 . 2]" 1
307 1 27 GLU HG3 1 28 GLY H . . 6.000 4.690 4.175 5.096 . 0 0 "[ . 1 . 2]" 1
308 1 27 GLU HG3 1 29 GLU H . . 6.000 5.859 4.818 6.156 0.156 3 0 "[ . 1 . 2]" 1
309 1 27 GLU HG3 1 31 GLN H . . 6.000 5.946 5.273 6.134 0.134 14 0 "[ . 1 . 2]" 1
310 1 27 GLU HG3 1 32 TYR HH . . 4.200 2.863 2.680 3.045 . 0 0 "[ . 1 . 2]" 1
311 1 28 GLY H 1 31 GLN H . . 5.700 3.511 2.763 5.018 . 0 0 "[ . 1 . 2]" 1
312 1 28 GLY H 1 33 TYR QD . . 8.000 3.026 2.179 5.163 . 0 0 "[ . 1 . 2]" 1
313 1 28 GLY HA2 1 33 TYR QD . . 6.900 4.038 3.120 5.445 . 0 0 "[ . 1 . 2]" 1
314 1 28 GLY HA2 1 74 PHE QE . . 6.500 2.723 2.301 3.374 . 0 0 "[ . 1 . 2]" 1
315 1 28 GLY HA2 1 74 PHE HZ . . 3.700 3.084 2.524 3.499 . 0 0 "[ . 1 . 2]" 1
316 1 28 GLY HA3 1 29 GLU H . . 3.500 2.988 2.532 3.513 0.013 18 0 "[ . 1 . 2]" 1
317 1 28 GLY HA3 1 33 TYR QD . . 5.100 2.910 2.328 4.568 . 0 0 "[ . 1 . 2]" 1
318 1 28 GLY HA3 1 33 TYR QE . . 7.600 2.967 2.190 5.451 . 0 0 "[ . 1 . 2]" 1
319 1 28 GLY HA3 1 74 PHE QE . . 6.700 3.164 2.237 4.203 . 0 0 "[ . 1 . 2]" 1
320 1 28 GLY HA3 1 74 PHE HZ . . 4.600 2.810 2.347 3.671 . 0 0 "[ . 1 . 2]" 1
321 1 29 GLU H 1 29 GLU QB . . 3.600 2.993 2.466 3.314 . 0 0 "[ . 1 . 2]" 1
322 1 29 GLU H 1 30 ASP H . . 3.500 3.043 1.998 3.674 0.174 11 0 "[ . 1 . 2]" 1
323 1 29 GLU H 1 31 GLN H . . 5.200 3.539 2.274 4.820 . 0 0 "[ . 1 . 2]" 1
324 1 29 GLU HA 1 29 GLU HG2 . . 4.100 3.457 2.446 3.902 . 0 0 "[ . 1 . 2]" 1
325 1 29 GLU HA 1 29 GLU HG3 . . 4.100 2.969 2.377 4.195 0.095 8 0 "[ . 1 . 2]" 1
326 1 29 GLU QG 1 30 ASP H . . 6.880 3.846 1.855 5.028 . 0 0 "[ . 1 . 2]" 1
327 1 30 ASP H 1 30 ASP HB2 . . 3.600 3.079 2.257 3.575 . 0 0 "[ . 1 . 2]" 1
328 1 30 ASP H 1 30 ASP QB . . 3.340 2.562 2.232 2.829 . 0 0 "[ . 1 . 2]" 1
329 1 30 ASP H 1 30 ASP HB3 . . 3.600 2.886 2.381 3.757 0.157 10 0 "[ . 1 . 2]" 1
330 1 30 ASP H 1 31 GLN H . . 3.200 2.461 1.897 3.228 0.028 2 0 "[ . 1 . 2]" 1
331 1 30 ASP H 1 31 GLN HG2 . . 6.000 4.590 3.557 5.938 . 0 0 "[ . 1 . 2]" 1
332 1 30 ASP H 1 31 GLN HG3 . . 6.000 3.981 2.255 5.852 . 0 0 "[ . 1 . 2]" 1
333 1 31 GLN H 1 31 GLN HB2 . . 3.900 3.736 3.275 3.931 0.031 10 0 "[ . 1 . 2]" 1
334 1 31 GLN H 1 31 GLN HE21 . . 4.400 4.329 3.724 4.501 0.101 11 0 "[ . 1 . 2]" 1
335 1 31 GLN H 1 31 GLN HG2 . . 5.700 3.502 2.189 5.066 . 0 0 "[ . 1 . 2]" 1
336 1 31 GLN H 1 31 GLN HG3 . . 5.700 2.715 2.001 4.426 . 0 0 "[ . 1 . 2]" 1
337 1 31 GLN HA 1 31 GLN QG . . 3.910 3.411 3.205 3.539 . 0 0 "[ . 1 . 2]" 1
338 1 31 GLN HB2 1 31 GLN HE22 . . 4.100 3.696 3.352 4.290 0.190 16 0 "[ . 1 . 2]" 1
339 1 31 GLN HE21 1 31 GLN HG2 . . 3.500 3.071 2.316 3.590 0.090 12 0 "[ . 1 . 2]" 1
340 1 31 GLN HE21 1 31 GLN HG3 . . 3.500 3.107 2.321 3.592 0.092 3 0 "[ . 1 . 2]" 1
341 1 31 GLN QG 1 33 TYR HA . . 6.880 5.466 3.449 6.179 . 0 0 "[ . 1 . 2]" 1
342 1 31 GLN HG2 1 33 TYR QD . . 7.200 4.882 3.532 5.544 . 0 0 "[ . 1 . 2]" 1
343 1 31 GLN HG3 1 33 TYR QD . . 7.200 4.157 2.391 6.068 . 0 0 "[ . 1 . 2]" 1
344 1 32 TYR H 1 32 TYR HB2 . . 3.000 2.371 2.263 2.544 . 0 0 "[ . 1 . 2]" 1
345 1 32 TYR H 1 32 TYR HB3 . . 3.800 3.579 3.457 3.654 . 0 0 "[ . 1 . 2]" 1
346 1 32 TYR HA 1 33 TYR H . . 3.000 2.216 2.018 2.392 . 0 0 "[ . 1 . 2]" 1
347 1 33 TYR H 1 33 TYR HB2 . . 3.100 2.355 2.123 2.550 . 0 0 "[ . 1 . 2]" 1
348 1 33 TYR H 1 33 TYR QE . . 6.600 5.524 4.502 6.018 . 0 0 "[ . 1 . 2]" 1
349 1 33 TYR H 1 34 ILE H . . 4.900 4.277 4.032 4.470 . 0 0 "[ . 1 . 2]" 1
350 1 33 TYR H 1 75 PHE HZ . . 5.300 4.583 4.401 4.873 . 0 0 "[ . 1 . 2]" 1
351 1 33 TYR HA 1 33 TYR HB3 . . 3.000 2.747 2.623 2.956 . 0 0 "[ . 1 . 2]" 1
352 1 33 TYR HA 1 33 TYR QE . . 4.900 4.331 4.137 4.440 . 0 0 "[ . 1 . 2]" 1
353 1 33 TYR HA 1 34 ILE H . . 3.200 2.264 2.148 2.564 . 0 0 "[ . 1 . 2]" 1
354 1 33 TYR HA 1 75 PHE HZ . . 6.000 4.887 4.622 5.410 . 0 0 "[ . 1 . 2]" 1
355 1 33 TYR HB2 1 34 ILE H . . 4.800 4.503 4.182 4.624 . 0 0 "[ . 1 . 2]" 1
356 1 33 TYR HB2 1 75 PHE QE . . 7.400 4.160 3.787 4.778 . 0 0 "[ . 1 . 2]" 1
357 1 33 TYR HB2 1 75 PHE HZ . . 4.100 2.971 2.491 3.677 . 0 0 "[ . 1 . 2]" 1
358 1 33 TYR HB3 1 34 ILE H . . 3.800 3.591 2.983 3.788 . 0 0 "[ . 1 . 2]" 1
359 1 33 TYR HB3 1 74 PHE QD . . 7.800 3.991 3.591 4.581 . 0 0 "[ . 1 . 2]" 1
360 1 33 TYR HB3 1 75 PHE QE . . 6.300 3.056 2.554 3.559 . 0 0 "[ . 1 . 2]" 1
361 1 33 TYR HB3 1 75 PHE HZ . . 4.900 2.281 2.139 2.868 . 0 0 "[ . 1 . 2]" 1
362 1 33 TYR QD 1 70 LYS HB3 . . 8.000 4.863 4.442 5.297 . 0 0 "[ . 1 . 2]" 1
363 1 33 TYR QD 1 70 LYS QE . . 8.700 5.822 4.280 6.731 . 0 0 "[ . 1 . 2]" 1
364 1 33 TYR QD 1 70 LYS HG2 . . 6.600 5.044 3.783 5.610 . 0 0 "[ . 1 . 2]" 1
365 1 33 TYR QD 1 70 LYS HG3 . . 5.900 4.433 3.950 5.354 . 0 0 "[ . 1 . 2]" 1
366 1 33 TYR QD 1 71 ASN H . . 8.000 4.385 3.854 5.040 . 0 0 "[ . 1 . 2]" 1
367 1 33 TYR QD 1 71 ASN HA . . 6.600 2.517 2.095 3.814 . 0 0 "[ . 1 . 2]" 1
368 1 33 TYR QD 1 74 PHE QB . . 8.880 3.851 3.396 4.859 . 0 0 "[ . 1 . 2]" 1
369 1 33 TYR QD 1 74 PHE QD . . 10.000 3.004 2.422 3.822 . 0 0 "[ . 1 . 2]" 1
370 1 33 TYR QD 1 74 PHE QE . . 10.000 3.459 2.769 3.846 . 0 0 "[ . 1 . 2]" 1
371 1 33 TYR QD 1 74 PHE HZ . . 8.000 4.386 3.955 5.261 . 0 0 "[ . 1 . 2]" 1
372 1 33 TYR QE 1 71 ASN H . . 8.000 3.702 3.035 5.422 . 0 0 "[ . 1 . 2]" 1
373 1 33 TYR HH 1 67 TYR QD . . 8.000 3.699 2.746 5.723 . 0 0 "[ . 1 . 2]" 1
374 1 34 ILE H 1 34 ILE HA . . 2.800 2.911 2.873 2.945 0.145 3 0 "[ . 1 . 2]" 1
375 1 34 ILE H 1 34 ILE HB . . 2.800 2.322 2.235 2.482 . 0 0 "[ . 1 . 2]" 1
376 1 34 ILE H 1 71 ASN HB2 . . 6.000 5.532 4.927 6.017 0.017 13 0 "[ . 1 . 2]" 1
377 1 34 ILE H 1 71 ASN HB3 . . 6.000 4.613 3.792 6.105 0.105 8 0 "[ . 1 . 2]" 1
378 1 34 ILE H 1 75 PHE QE . . 8.000 4.687 3.813 5.032 . 0 0 "[ . 1 . 2]" 1
379 1 34 ILE H 1 75 PHE HZ . . 6.000 5.201 4.469 5.485 . 0 0 "[ . 1 . 2]" 1
380 1 34 ILE HA 1 35 ASP H . . 2.500 2.328 2.203 2.389 . 0 0 "[ . 1 . 2]" 1
381 1 34 ILE HA 1 75 PHE QE . . 8.000 4.794 4.482 5.042 . 0 0 "[ . 1 . 2]" 1
382 1 34 ILE HB 1 35 ASP H . . 4.500 4.416 4.234 4.518 0.018 3 0 "[ . 1 . 2]" 1
383 1 34 ILE MD 1 45 CYS HB2 . . 3.900 3.103 2.856 3.259 . 0 0 "[ . 1 . 2]" 1
384 1 34 ILE QG 1 45 CYS HB2 . . 5.050 4.227 3.967 4.441 . 0 0 "[ . 1 . 2]" 1
385 1 34 ILE MG 1 39 CYS HB3 . . 3.840 3.158 2.917 3.243 . 0 0 "[ . 1 . 2]" 1
386 1 35 ASP H 1 35 ASP HB2 . . 2.900 2.649 2.472 2.777 . 0 0 "[ . 1 . 2]" 1
387 1 35 ASP H 1 35 ASP HB3 . . 3.400 2.839 2.718 3.447 0.047 4 0 "[ . 1 . 2]" 1
388 1 35 ASP H 1 38 VAL QG . . 8.560 4.611 4.412 4.788 . 0 0 "[ . 1 . 2]" 1
389 1 35 ASP H 1 75 PHE QE . . 8.000 3.963 3.708 4.429 . 0 0 "[ . 1 . 2]" 1
390 1 35 ASP H 1 75 PHE HZ . . 6.000 4.810 3.815 5.326 . 0 0 "[ . 1 . 2]" 1
391 1 35 ASP HA 1 36 PRO HD2 . . 3.000 2.284 2.119 2.736 . 0 0 "[ . 1 . 2]" 1
392 1 35 ASP HA 1 36 PRO QD . . 2.720 2.073 2.042 2.114 . 0 0 "[ . 1 . 2]" 1
393 1 35 ASP HA 1 36 PRO HD3 . . 3.000 2.490 2.108 2.839 . 0 0 "[ . 1 . 2]" 1
394 1 35 ASP HA 1 36 PRO HG2 . . 6.000 4.431 4.277 4.627 . 0 0 "[ . 1 . 2]" 1
395 1 35 ASP HA 1 37 ASP H . . 3.700 3.678 3.539 3.849 0.149 10 0 "[ . 1 . 2]" 1
396 1 35 ASP HA 1 75 PHE QD . . 6.200 2.871 2.471 3.180 . 0 0 "[ . 1 . 2]" 1
397 1 35 ASP HA 1 75 PHE QE . . 6.600 2.553 2.417 2.759 . 0 0 "[ . 1 . 2]" 1
398 1 35 ASP HA 1 75 PHE HZ . . 4.800 4.625 3.575 4.825 0.025 9 0 "[ . 1 . 2]" 1
399 1 35 ASP HB2 1 38 VAL HB . . 3.500 3.457 2.127 3.569 0.069 16 0 "[ . 1 . 2]" 1
400 1 35 ASP HB2 1 38 VAL QG . . 6.760 3.292 2.910 3.575 . 0 0 "[ . 1 . 2]" 1
401 1 35 ASP HB2 1 75 PHE QD . . 8.000 3.320 2.888 5.571 . 0 0 "[ . 1 . 2]" 1
402 1 35 ASP HB2 1 75 PHE QE . . 8.000 3.570 3.197 5.054 . 0 0 "[ . 1 . 2]" 1
403 1 35 ASP HB3 1 36 PRO QD . . 6.880 4.085 3.498 4.233 . 0 0 "[ . 1 . 2]" 1
404 1 35 ASP HB3 1 38 VAL H . . 2.400 2.483 2.361 2.518 0.118 7 0 "[ . 1 . 2]" 1
405 1 35 ASP HB3 1 38 VAL HB . . 5.200 2.136 2.040 2.796 . 0 0 "[ . 1 . 2]" 1
406 1 35 ASP HB3 1 38 VAL QG . . 5.560 2.641 2.249 2.971 . 0 0 "[ . 1 . 2]" 1
407 1 35 ASP HB3 1 39 CYS H . . 4.500 3.334 3.012 3.841 . 0 0 "[ . 1 . 2]" 1
408 1 35 ASP HB3 1 75 PHE QD . . 8.000 4.403 4.173 5.238 . 0 0 "[ . 1 . 2]" 1
409 1 35 ASP HB3 1 75 PHE QE . . 7.000 4.788 4.430 5.172 . 0 0 "[ . 1 . 2]" 1
410 1 35 ASP O 1 39 CYS H . . 2.400 1.894 1.850 1.952 . 0 0 "[ . 1 . 2]" 1
411 1 35 ASP O 1 39 CYS N . . 3.300 2.868 2.818 2.934 . 0 0 "[ . 1 . 2]" 1
412 1 36 PRO HA 1 38 VAL H . . 4.400 4.366 4.213 4.474 0.074 10 0 "[ . 1 . 2]" 1
413 1 36 PRO HA 1 39 CYS HB3 . . 3.400 2.662 2.381 3.094 . 0 0 "[ . 1 . 2]" 1
414 1 36 PRO HA 1 75 PHE QE . . 8.000 6.720 6.285 6.959 . 0 0 "[ . 1 . 2]" 1
415 1 36 PRO HB2 1 37 ASP H . . 3.600 3.615 3.182 3.785 0.185 15 0 "[ . 1 . 2]" 1
416 1 36 PRO HB2 1 72 ARG QD . . 6.580 5.077 4.176 5.697 . 0 0 "[ . 1 . 2]" 1
417 1 36 PRO HB2 1 72 ARG HE . . 5.500 3.781 2.374 4.681 . 0 0 "[ . 1 . 2]" 1
418 1 36 PRO QD 1 37 ASP H . . 5.260 2.565 2.330 2.836 . 0 0 "[ . 1 . 2]" 1
419 1 36 PRO QD 1 72 ARG HA . . 4.620 2.783 2.121 3.745 . 0 0 "[ . 1 . 2]" 1
420 1 36 PRO QD 1 72 ARG QG . . 7.750 4.401 3.515 5.018 . 0 0 "[ . 1 . 2]" 1
421 1 36 PRO QD 1 75 PHE QD . . 7.610 3.296 2.133 3.729 . 0 0 "[ . 1 . 2]" 1
422 1 36 PRO QD 1 75 PHE QE . . 8.880 3.457 2.830 3.728 . 0 0 "[ . 1 . 2]" 1
423 1 36 PRO QD 1 76 LYS QD . . 6.380 4.669 3.282 5.098 . 0 0 "[ . 1 . 2]" 1
424 1 36 PRO HD2 1 72 ARG HA . . 4.800 2.900 2.142 4.313 . 0 0 "[ . 1 . 2]" 1
425 1 36 PRO HD2 1 75 PHE QD . . 8.000 3.442 2.276 3.872 . 0 0 "[ . 1 . 2]" 1
426 1 36 PRO HD3 1 72 ARG HA . . 4.800 3.841 3.299 4.272 . 0 0 "[ . 1 . 2]" 1
427 1 36 PRO HD3 1 75 PHE QD . . 8.000 4.311 2.578 5.210 . 0 0 "[ . 1 . 2]" 1
428 1 36 PRO HG2 1 37 ASP H . . 4.300 2.847 2.484 4.266 . 0 0 "[ . 1 . 2]" 1
429 1 36 PRO HG2 1 72 ARG HE . . 6.000 2.676 2.256 4.262 . 0 0 "[ . 1 . 2]" 1
430 1 36 PRO HG2 1 72 ARG QG . . 5.680 3.819 2.896 4.288 . 0 0 "[ . 1 . 2]" 1
431 1 36 PRO HG3 1 72 ARG HA . . 5.300 3.179 2.399 4.091 . 0 0 "[ . 1 . 2]" 1
432 1 36 PRO HG3 1 72 ARG QG . . 6.280 4.495 3.024 5.215 . 0 0 "[ . 1 . 2]" 1
433 1 37 ASP H 1 37 ASP QB . . 3.540 2.442 2.157 3.139 . 0 0 "[ . 1 . 2]" 1
434 1 37 ASP H 1 38 VAL H . . 2.600 2.322 2.170 2.550 . 0 0 "[ . 1 . 2]" 1
435 1 37 ASP H 1 38 VAL HA . . 5.100 5.024 4.879 5.174 0.074 4 0 "[ . 1 . 2]" 1
436 1 37 ASP H 1 38 VAL HB . . 5.000 4.782 4.624 4.954 . 0 0 "[ . 1 . 2]" 1
437 1 37 ASP H 1 38 VAL QG . . 7.660 3.877 3.701 4.047 . 0 0 "[ . 1 . 2]" 1
438 1 37 ASP HA 1 37 ASP HB2 . . 3.000 2.841 2.185 3.039 0.039 4 0 "[ . 1 . 2]" 1
439 1 37 ASP HA 1 37 ASP HB3 . . 3.000 2.505 2.216 2.993 . 0 0 "[ . 1 . 2]" 1
440 1 37 ASP QB 1 38 VAL H . . 4.140 3.020 2.589 3.685 . 0 0 "[ . 1 . 2]" 1
441 1 37 ASP QB 1 38 VAL QG . . 6.210 3.227 2.500 3.748 . 0 0 "[ . 1 . 2]" 1
442 1 37 ASP HB2 1 38 VAL H . . 4.700 3.333 2.648 4.408 . 0 0 "[ . 1 . 2]" 1
443 1 37 ASP HB2 1 38 VAL MG1 . . 8.120 5.860 5.142 6.829 . 0 0 "[ . 1 . 2]" 1
444 1 37 ASP HB2 1 38 VAL MG2 . . 8.120 3.594 2.591 4.873 . 0 0 "[ . 1 . 2]" 1
445 1 37 ASP HB3 1 38 VAL H . . 4.700 3.918 3.004 4.465 . 0 0 "[ . 1 . 2]" 1
446 1 37 ASP HB3 1 38 VAL MG1 . . 8.120 6.151 5.466 6.825 . 0 0 "[ . 1 . 2]" 1
447 1 37 ASP HB3 1 38 VAL MG2 . . 8.120 4.120 3.357 5.015 . 0 0 "[ . 1 . 2]" 1
448 1 38 VAL H 1 38 VAL HB . . 3.200 2.621 2.517 2.741 . 0 0 "[ . 1 . 2]" 1
449 1 38 VAL H 1 38 VAL MG1 . . 4.800 3.865 3.832 3.893 . 0 0 "[ . 1 . 2]" 1
450 1 38 VAL H 1 38 VAL QG . . 3.860 2.389 2.235 2.598 . 0 0 "[ . 1 . 2]" 1
451 1 38 VAL H 1 38 VAL MG2 . . 4.800 2.413 2.249 2.640 . 0 0 "[ . 1 . 2]" 1
452 1 38 VAL H 1 39 CYS H . . 3.300 2.434 2.271 2.607 . 0 0 "[ . 1 . 2]" 1
453 1 38 VAL HA 1 38 VAL MG1 . . 3.500 2.323 2.219 2.379 . 0 0 "[ . 1 . 2]" 1
454 1 38 VAL HA 1 38 VAL MG2 . . 3.500 2.387 2.271 2.494 . 0 0 "[ . 1 . 2]" 1
455 1 38 VAL HB 1 39 CYS H . . 4.300 3.083 2.914 3.245 . 0 0 "[ . 1 . 2]" 1
456 1 38 VAL QG 1 39 CYS H . . 6.430 3.518 3.415 3.601 . 0 0 "[ . 1 . 2]" 1
457 1 38 VAL MG1 1 39 CYS H . . 7.000 3.851 3.686 4.003 . 0 0 "[ . 1 . 2]" 1
458 1 38 VAL MG2 1 39 CYS H . . 7.000 4.071 3.973 4.141 . 0 0 "[ . 1 . 2]" 1
459 1 39 CYS H 1 39 CYS HB3 . . 2.700 2.418 2.346 2.493 . 0 0 "[ . 1 . 2]" 1
460 1 39 CYS SG 1 42 CYS SG . . 6.380 5.859 5.722 6.031 . 0 0 "[ . 1 . 2]" 1
461 1 39 CYS SG 1 45 CYS SG . . 6.380 5.721 5.578 5.842 . 0 0 "[ . 1 . 2]" 1
462 1 40 ILE HA 1 40 ILE MG . . 3.400 2.268 2.235 2.311 . 0 0 "[ . 1 . 2]" 1
463 1 40 ILE HA 1 41 ASP H . . 2.900 2.844 2.666 2.949 0.049 1 0 "[ . 1 . 2]" 1
464 1 40 ILE HB 1 41 ASP H . . 4.500 4.481 4.419 4.503 0.003 5 0 "[ . 1 . 2]" 1
465 1 40 ILE HB 1 42 CYS HB3 . . 4.900 4.772 4.634 4.921 0.021 12 0 "[ . 1 . 2]" 1
466 1 40 ILE QG 1 41 ASP H . . 4.400 3.833 3.564 3.952 . 0 0 "[ . 1 . 2]" 1
467 1 40 ILE QG 1 42 CYS HB3 . . 3.300 2.399 2.233 2.724 . 0 0 "[ . 1 . 2]" 1
468 1 41 ASP H 1 41 ASP HA . . 2.900 2.273 2.226 2.304 . 0 0 "[ . 1 . 2]" 1
469 1 41 ASP H 1 41 ASP HB2 . . 3.600 3.184 2.729 3.475 . 0 0 "[ . 1 . 2]" 1
470 1 41 ASP H 1 41 ASP HB3 . . 4.100 3.962 3.690 4.119 0.019 9 0 "[ . 1 . 2]" 1
471 1 42 CYS HA 1 42 CYS HB3 . . 2.700 2.616 2.515 2.692 . 0 0 "[ . 1 . 2]" 1
472 1 42 CYS SG 1 45 CYS SG . . 6.380 5.756 5.590 5.900 . 0 0 "[ . 1 . 2]" 1
473 1 45 CYS HA 1 45 CYS HB2 . . 3.000 2.384 2.239 2.449 . 0 0 "[ . 1 . 2]" 1
474 1 45 CYS HA 1 48 VAL QG . . 8.560 2.773 2.025 3.144 . 0 0 "[ . 1 . 2]" 1
475 1 45 CYS HB2 1 46 GLU HA . . 4.900 4.714 4.446 4.917 0.017 18 0 "[ . 1 . 2]" 1
476 1 45 CYS HB2 1 48 VAL H . . 5.200 5.215 4.974 5.290 0.090 2 0 "[ . 1 . 2]" 1
477 1 45 CYS HB2 1 54 ILE MD . . 4.600 2.608 2.341 3.094 . 0 0 "[ . 1 . 2]" 1
478 1 46 GLU HA 1 54 ILE HB . . 3.300 2.240 2.085 2.675 . 0 0 "[ . 1 . 2]" 1
479 1 47 ALA H 1 47 ALA MB . . 3.500 2.300 2.114 2.979 . 0 0 "[ . 1 . 2]" 1
480 1 47 ALA H 1 48 VAL H . . 3.000 2.676 2.194 3.056 0.056 7 0 "[ . 1 . 2]" 1
481 1 47 ALA MB 1 48 VAL H . . 4.100 2.873 2.681 3.276 . 0 0 "[ . 1 . 2]" 1
482 1 47 ALA MB 1 48 VAL HA . . 6.700 3.967 3.838 4.221 . 0 0 "[ . 1 . 2]" 1
483 1 47 ALA MB 1 48 VAL QG . . 8.060 3.235 2.816 3.725 . 0 0 "[ . 1 . 2]" 1
484 1 48 VAL H 1 48 VAL HB . . 4.000 2.487 2.103 3.745 . 0 0 "[ . 1 . 2]" 1
485 1 48 VAL H 1 48 VAL MG1 . . 4.400 3.518 2.529 3.732 . 0 0 "[ . 1 . 2]" 1
486 1 48 VAL H 1 48 VAL QG . . 4.010 2.448 2.004 2.940 . 0 0 "[ . 1 . 2]" 1
487 1 48 VAL H 1 48 VAL MG2 . . 4.400 2.510 2.073 3.108 . 0 0 "[ . 1 . 2]" 1
488 1 48 VAL HA 1 48 VAL HB . . 3.000 2.922 2.373 3.031 0.031 5 0 "[ . 1 . 2]" 1
489 1 49 CYS H 1 49 CYS HB3 . . 2.800 2.755 2.645 2.820 0.020 15 0 "[ . 1 . 2]" 1
490 1 49 CYS HB3 1 50 PRO QD . . 4.700 4.141 4.058 4.234 . 0 0 "[ . 1 . 2]" 1
491 1 49 CYS HB3 1 51 VAL MG1 . . 5.000 3.966 3.311 4.229 . 0 0 "[ . 1 . 2]" 1
492 1 49 CYS HB3 1 51 VAL QG . . 4.440 3.367 3.206 3.397 . 0 0 "[ . 1 . 2]" 1
493 1 49 CYS HB3 1 51 VAL MG2 . . 5.000 3.713 3.485 4.282 . 0 0 "[ . 1 . 2]" 1
494 1 49 CYS HB3 1 52 SER HA . . 4.000 2.626 2.318 3.543 . 0 0 "[ . 1 . 2]" 1
495 1 49 CYS HB3 1 53 ALA H . . 3.800 2.967 2.743 3.413 . 0 0 "[ . 1 . 2]" 1
496 1 49 CYS HB3 1 54 ILE H . . 3.800 3.607 3.348 3.893 0.093 1 0 "[ . 1 . 2]" 1
497 1 49 CYS HB3 1 54 ILE HB . . 5.000 4.259 3.913 4.607 . 0 0 "[ . 1 . 2]" 1
498 1 49 CYS HB3 1 54 ILE QG . . 5.000 3.381 2.862 4.027 . 0 0 "[ . 1 . 2]" 1
499 1 52 SER H 1 52 SER QB . . 3.680 3.253 2.946 3.331 . 0 0 "[ . 1 . 2]" 1
500 1 54 ILE HA 1 55 TYR H . . 2.800 2.248 2.219 2.333 . 0 0 "[ . 1 . 2]" 1
501 1 55 TYR H 1 55 TYR HB2 . . 3.100 2.520 2.392 2.596 . 0 0 "[ . 1 . 2]" 1
502 1 55 TYR H 1 55 TYR HB3 . . 3.600 3.693 3.651 3.715 0.115 8 0 "[ . 1 . 2]" 1
503 1 55 TYR H 1 55 TYR QE . . 7.000 5.210 5.059 5.338 . 0 0 "[ . 1 . 2]" 1
504 1 55 TYR H 1 56 HIS H . . 6.000 4.409 4.354 4.552 . 0 0 "[ . 1 . 2]" 1
505 1 55 TYR H 1 60 VAL QG . . 8.400 3.283 3.000 3.534 . 0 0 "[ . 1 . 2]" 1
506 1 55 TYR HB2 1 56 HIS H . . 3.600 3.621 3.478 3.658 0.058 17 0 "[ . 1 . 2]" 1
507 1 55 TYR HB2 1 59 PHE HB2 . . 5.500 4.018 3.425 5.399 . 0 0 "[ . 1 . 2]" 1
508 1 55 TYR HB2 1 60 VAL HA . . 4.800 3.647 3.305 4.009 . 0 0 "[ . 1 . 2]" 1
509 1 55 TYR HB2 1 60 VAL QG . . 6.600 2.001 1.943 2.051 . 0 0 "[ . 1 . 2]" 1
510 1 55 TYR HB3 1 56 HIS H . . 3.200 2.412 2.233 2.487 . 0 0 "[ . 1 . 2]" 1
511 1 55 TYR HB3 1 59 PHE H . . 4.200 4.259 4.223 4.334 0.134 16 0 "[ . 1 . 2]" 1
512 1 55 TYR HB3 1 60 VAL QG . . 6.900 2.845 2.517 3.166 . 0 0 "[ . 1 . 2]" 1
513 1 55 TYR QD 1 56 HIS H . . 8.000 3.661 3.517 4.114 . 0 0 "[ . 1 . 2]" 1
514 1 55 TYR QD 1 59 PHE HB2 . . 8.000 4.369 4.029 5.213 . 0 0 "[ . 1 . 2]" 1
515 1 55 TYR QD 1 59 PHE HB3 . . 7.900 4.059 3.631 4.359 . 0 0 "[ . 1 . 2]" 1
516 1 55 TYR QD 1 61 PRO HD2 . . 8.000 4.761 4.189 5.176 . 0 0 "[ . 1 . 2]" 1
517 1 55 TYR QE 1 64 TRP HE3 . . 7.000 4.693 4.052 5.201 . 0 0 "[ . 1 . 2]" 1
518 1 55 TYR QE 1 64 TRP HZ3 . . 6.700 3.493 2.501 4.280 . 0 0 "[ . 1 . 2]" 1
519 1 56 HIS H 1 56 HIS HB2 . . 2.800 2.295 2.114 2.426 . 0 0 "[ . 1 . 2]" 1
520 1 56 HIS H 1 56 HIS HB3 . . 3.500 2.986 2.689 3.573 0.073 16 0 "[ . 1 . 2]" 1
521 1 56 HIS H 1 56 HIS HD2 . . 6.000 4.315 2.224 5.251 . 0 0 "[ . 1 . 2]" 1
522 1 56 HIS H 1 59 PHE H . . 5.500 3.932 3.717 4.058 . 0 0 "[ . 1 . 2]" 1
523 1 56 HIS H 1 59 PHE HB2 . . 3.300 2.594 2.262 3.253 . 0 0 "[ . 1 . 2]" 1
524 1 56 HIS H 1 59 PHE HB3 . . 3.900 3.488 2.496 3.840 . 0 0 "[ . 1 . 2]" 1
525 1 56 HIS H 1 59 PHE QR . . 8.400 3.045 2.490 3.966 . 0 0 "[ . 1 . 2]" 1
526 1 56 HIS H 1 60 VAL QG . . 8.400 4.060 3.821 4.304 . 0 0 "[ . 1 . 2]" 1
527 1 56 HIS HA 1 56 HIS HB2 . . 2.900 2.769 2.645 3.010 0.110 9 0 "[ . 1 . 2]" 1
528 1 56 HIS HA 1 56 HIS HB3 . . 3.000 2.923 2.417 3.039 0.039 3 0 "[ . 1 . 2]" 1
529 1 56 HIS HA 1 56 HIS HD2 . . 3.900 3.127 2.362 3.973 0.073 17 0 "[ . 1 . 2]" 1
530 1 56 HIS HA 1 57 GLU H . . 2.700 2.298 2.219 2.357 . 0 0 "[ . 1 . 2]" 1
531 1 56 HIS HA 1 57 GLU QB . . 6.080 4.452 4.093 4.791 . 0 0 "[ . 1 . 2]" 1
532 1 56 HIS HA 1 58 ASP H . . 4.200 4.252 4.201 4.306 0.106 13 0 "[ . 1 . 2]" 1
533 1 56 HIS HA 1 59 PHE H . . 6.000 4.352 4.270 4.416 . 0 0 "[ . 1 . 2]" 1
534 1 56 HIS HB2 1 56 HIS HD2 . . 3.800 3.076 2.631 3.869 0.069 12 0 "[ . 1 . 2]" 1
535 1 56 HIS HB2 1 57 GLU H . . 5.100 4.301 3.969 4.439 . 0 0 "[ . 1 . 2]" 1
536 1 56 HIS HB2 1 58 ASP H . . 4.700 4.527 3.598 4.762 0.062 8 0 "[ . 1 . 2]" 1
537 1 56 HIS HB2 1 59 PHE H . . 4.000 3.858 2.616 4.109 0.109 1 0 "[ . 1 . 2]" 1
538 1 56 HIS HB2 1 59 PHE HB2 . . 5.600 3.336 2.235 3.748 . 0 0 "[ . 1 . 2]" 1
539 1 56 HIS HB2 1 59 PHE QR . . 8.400 3.361 2.905 4.618 . 0 0 "[ . 1 . 2]" 1
540 1 56 HIS HB3 1 57 GLU H . . 5.300 3.563 2.713 3.858 . 0 0 "[ . 1 . 2]" 1
541 1 56 HIS HB3 1 58 ASP H . . 3.300 3.089 2.748 3.307 0.007 4 0 "[ . 1 . 2]" 1
542 1 56 HIS HB3 1 59 PHE H . . 3.300 2.620 2.389 3.393 0.093 16 0 "[ . 1 . 2]" 1
543 1 56 HIS HB3 1 59 PHE HB2 . . 4.700 2.997 2.504 4.158 . 0 0 "[ . 1 . 2]" 1
544 1 56 HIS HB3 1 59 PHE HB3 . . 6.000 4.253 3.127 5.657 . 0 0 "[ . 1 . 2]" 1
545 1 56 HIS HB3 1 59 PHE QR . . 7.800 3.391 2.755 5.432 . 0 0 "[ . 1 . 2]" 1
546 1 56 HIS HD2 1 57 GLU H . . 6.000 4.148 2.343 5.894 . 0 0 "[ . 1 . 2]" 1
547 1 56 HIS O 1 60 VAL H . . 2.400 2.044 1.946 2.196 . 0 0 "[ . 1 . 2]" 1
548 1 56 HIS O 1 60 VAL N . . 3.300 2.980 2.898 3.101 . 0 0 "[ . 1 . 2]" 1
549 1 57 GLU H 1 57 GLU HA . . 2.900 2.737 2.703 2.782 . 0 0 "[ . 1 . 2]" 1
550 1 57 GLU H 1 57 GLU HB2 . . 3.400 3.094 2.092 3.535 0.135 6 0 "[ . 1 . 2]" 1
551 1 57 GLU H 1 57 GLU QB . . 3.040 2.427 2.044 2.871 . 0 0 "[ . 1 . 2]" 1
552 1 57 GLU H 1 57 GLU HB3 . . 3.400 2.861 2.286 3.549 0.149 14 0 "[ . 1 . 2]" 1
553 1 57 GLU H 1 57 GLU HG2 . . 4.700 2.594 1.977 4.081 . 0 0 "[ . 1 . 2]" 1
554 1 57 GLU H 1 57 GLU QG . . 3.970 2.153 1.848 3.649 . 0 0 "[ . 1 . 2]" 1
555 1 57 GLU H 1 57 GLU HG3 . . 4.700 2.942 1.984 4.112 . 0 0 "[ . 1 . 2]" 1
556 1 57 GLU H 1 58 ASP H . . 2.900 2.891 2.777 2.968 0.068 20 0 "[ . 1 . 2]" 1
557 1 57 GLU H 1 58 ASP QB . . 6.180 4.813 4.406 5.148 . 0 0 "[ . 1 . 2]" 1
558 1 57 GLU H 1 59 PHE H . . 4.700 4.101 3.995 4.219 . 0 0 "[ . 1 . 2]" 1
559 1 57 GLU H 1 60 VAL QG . . 8.400 4.412 4.200 4.519 . 0 0 "[ . 1 . 2]" 1
560 1 57 GLU HA 1 57 GLU QG . . 3.510 2.996 2.122 3.317 . 0 0 "[ . 1 . 2]" 1
561 1 57 GLU HA 1 59 PHE H . . 3.700 3.858 3.813 3.915 0.215 3 0 "[ . 1 . 2]" 1
562 1 57 GLU HA 1 60 VAL H . . 3.500 3.439 3.256 3.537 0.037 3 0 "[ . 1 . 2]" 1
563 1 57 GLU HA 1 60 VAL HB . . 3.100 3.084 2.921 3.173 0.073 14 0 "[ . 1 . 2]" 1
564 1 57 GLU HA 1 60 VAL QG . . 5.400 2.924 2.634 3.092 . 0 0 "[ . 1 . 2]" 1
565 1 57 GLU HA 1 68 ILE MD . . 4.300 2.739 2.054 3.612 . 0 0 "[ . 1 . 2]" 1
566 1 57 GLU HA 1 68 ILE HG12 . . 5.100 2.668 2.464 3.148 . 0 0 "[ . 1 . 2]" 1
567 1 57 GLU HA 1 68 ILE HG13 . . 5.100 2.747 2.345 3.795 . 0 0 "[ . 1 . 2]" 1
568 1 57 GLU HA 1 68 ILE MG . . 4.800 3.828 3.581 4.014 . 0 0 "[ . 1 . 2]" 1
569 1 57 GLU QB 1 57 GLU QG . . 2.480 2.044 1.984 2.069 . 0 0 "[ . 1 . 2]" 1
570 1 57 GLU QB 1 58 ASP H . . 3.720 3.022 2.287 3.434 . 0 0 "[ . 1 . 2]" 1
571 1 57 GLU QB 1 68 ILE QG . . 4.870 2.376 2.022 3.701 . 0 0 "[ . 1 . 2]" 1
572 1 57 GLU QB 1 68 ILE MG . . 6.880 2.397 2.103 3.755 . 0 0 "[ . 1 . 2]" 1
573 1 57 GLU HB2 1 58 ASP H . . 4.200 3.262 2.323 3.804 . 0 0 "[ . 1 . 2]" 1
574 1 57 GLU HB2 1 68 ILE HG12 . . 5.650 3.421 2.476 4.872 . 0 0 "[ . 1 . 2]" 1
575 1 57 GLU HB2 1 68 ILE HG13 . . 5.650 3.508 2.369 5.673 0.023 20 0 "[ . 1 . 2]" 1
576 1 57 GLU HB3 1 58 ASP H . . 4.200 3.791 2.702 4.202 0.002 1 0 "[ . 1 . 2]" 1
577 1 57 GLU HB3 1 68 ILE HG12 . . 5.650 3.362 2.446 5.183 . 0 0 "[ . 1 . 2]" 1
578 1 57 GLU HB3 1 68 ILE HG13 . . 5.650 3.150 2.168 5.002 . 0 0 "[ . 1 . 2]" 1
579 1 57 GLU QG 1 58 ASP H . . 5.280 2.928 1.970 4.365 . 0 0 "[ . 1 . 2]" 1
580 1 57 GLU QG 1 68 ILE QG . . 5.950 3.287 2.016 4.310 . 0 0 "[ . 1 . 2]" 1
581 1 57 GLU QG 1 68 ILE MG . . 6.080 3.283 2.055 3.846 . 0 0 "[ . 1 . 2]" 1
582 1 58 ASP H 1 58 ASP HB2 . . 3.400 2.909 2.495 3.549 0.149 1 0 "[ . 1 . 2]" 1
583 1 58 ASP H 1 58 ASP QB . . 2.990 2.400 2.213 2.606 . 0 0 "[ . 1 . 2]" 1
584 1 58 ASP H 1 58 ASP HB3 . . 3.400 2.746 2.238 3.517 0.117 19 0 "[ . 1 . 2]" 1
585 1 58 ASP H 1 59 PHE H . . 2.800 2.648 2.399 2.806 0.006 7 0 "[ . 1 . 2]" 1
586 1 58 ASP H 1 59 PHE HB2 . . 5.600 4.705 4.370 4.911 . 0 0 "[ . 1 . 2]" 1
587 1 58 ASP H 1 60 VAL H . . 4.500 4.264 4.020 4.447 . 0 0 "[ . 1 . 2]" 1
588 1 58 ASP H 1 60 VAL QG . . 8.400 4.918 4.776 5.045 . 0 0 "[ . 1 . 2]" 1
589 1 58 ASP HA 1 58 ASP HB2 . . 3.000 2.553 2.208 3.038 0.038 19 0 "[ . 1 . 2]" 1
590 1 58 ASP HA 1 58 ASP QB . . 2.720 2.289 2.117 2.382 . 0 0 "[ . 1 . 2]" 1
591 1 58 ASP HA 1 58 ASP HB3 . . 3.000 2.726 2.384 3.034 0.034 15 0 "[ . 1 . 2]" 1
592 1 58 ASP HA 1 59 PHE H . . 3.400 3.488 3.432 3.522 0.122 15 0 "[ . 1 . 2]" 1
593 1 58 ASP HA 1 60 VAL H . . 4.800 4.452 3.924 4.791 . 0 0 "[ . 1 . 2]" 1
594 1 58 ASP QB 1 59 PHE QR . . 9.280 3.412 2.334 5.493 . 0 0 "[ . 1 . 2]" 1
595 1 58 ASP HB2 1 59 PHE H . . 5.100 3.894 2.789 4.577 . 0 0 "[ . 1 . 2]" 1
596 1 58 ASP HB3 1 59 PHE H . . 5.100 3.604 2.745 4.382 . 0 0 "[ . 1 . 2]" 1
597 1 59 PHE H 1 59 PHE HB2 . . 2.900 2.356 2.215 2.637 . 0 0 "[ . 1 . 2]" 1
598 1 59 PHE H 1 59 PHE HB3 . . 3.400 3.323 2.510 3.540 0.140 14 0 "[ . 1 . 2]" 1
599 1 59 PHE H 1 60 VAL H . . 2.500 2.269 2.157 2.356 . 0 0 "[ . 1 . 2]" 1
600 1 59 PHE H 1 60 VAL HB . . 4.500 4.335 4.235 4.422 . 0 0 "[ . 1 . 2]" 1
601 1 59 PHE H 1 60 VAL QG . . 7.200 3.721 3.541 3.835 . 0 0 "[ . 1 . 2]" 1
602 1 59 PHE HA 1 59 PHE HB3 . . 3.000 2.618 2.456 3.022 0.022 11 0 "[ . 1 . 2]" 1
603 1 59 PHE HA 1 60 VAL H . . 3.600 3.556 3.537 3.574 . 0 0 "[ . 1 . 2]" 1
604 1 59 PHE HB2 1 60 VAL H . . 4.500 2.992 2.681 3.845 . 0 0 "[ . 1 . 2]" 1
605 1 59 PHE HB3 1 60 VAL H . . 4.800 3.419 2.636 3.758 . 0 0 "[ . 1 . 2]" 1
606 1 60 VAL H 1 60 VAL HB . . 2.600 2.399 2.326 2.446 . 0 0 "[ . 1 . 2]" 1
607 1 60 VAL H 1 61 PRO HD3 . . 5.000 4.576 4.503 4.650 . 0 0 "[ . 1 . 2]" 1
608 1 60 VAL H 1 68 ILE QG . . 6.880 4.518 4.215 4.968 . 0 0 "[ . 1 . 2]" 1
609 1 60 VAL HA 1 61 PRO HD2 . . 3.000 2.582 2.511 2.644 . 0 0 "[ . 1 . 2]" 1
610 1 60 VAL HA 1 61 PRO HD3 . . 2.400 2.139 2.097 2.161 . 0 0 "[ . 1 . 2]" 1
611 1 60 VAL HA 1 64 TRP HB3 . . 5.600 5.168 5.023 5.317 . 0 0 "[ . 1 . 2]" 1
612 1 60 VAL HB 1 65 LYS HA . . 5.000 3.891 3.774 4.149 . 0 0 "[ . 1 . 2]" 1
613 1 60 VAL HB 1 68 ILE HG12 . . 4.000 3.122 2.720 3.984 . 0 0 "[ . 1 . 2]" 1
614 1 60 VAL HB 1 68 ILE QG . . 3.650 2.961 2.679 3.344 . 0 0 "[ . 1 . 2]" 1
615 1 60 VAL HB 1 68 ILE HG13 . . 4.000 3.945 3.524 4.050 0.050 3 0 "[ . 1 . 2]" 1
616 1 60 VAL QG 1 61 PRO HD2 . . 6.100 2.380 2.284 2.546 . 0 0 "[ . 1 . 2]" 1
617 1 60 VAL QG 1 61 PRO HD3 . . 7.000 3.219 3.142 3.331 . 0 0 "[ . 1 . 2]" 1
618 1 60 VAL QG 1 64 TRP H . . 8.400 3.412 3.340 3.478 . 0 0 "[ . 1 . 2]" 1
619 1 60 VAL QG 1 64 TRP HA . . 8.400 3.804 3.738 3.887 . 0 0 "[ . 1 . 2]" 1
620 1 60 VAL QG 1 64 TRP HB2 . . 6.900 2.164 2.078 2.250 . 0 0 "[ . 1 . 2]" 1
621 1 60 VAL QG 1 64 TRP HB3 . . 7.400 2.332 2.222 2.490 . 0 0 "[ . 1 . 2]" 1
622 1 60 VAL QG 1 64 TRP HE3 . . 8.000 2.816 2.605 3.085 . 0 0 "[ . 1 . 2]" 1
623 1 60 VAL QG 1 65 LYS H . . 7.900 3.147 2.898 3.426 . 0 0 "[ . 1 . 2]" 1
624 1 60 VAL QG 1 65 LYS HA . . 5.100 2.806 2.593 2.988 . 0 0 "[ . 1 . 2]" 1
625 1 60 VAL QG 1 67 TYR H . . 8.400 4.099 3.970 4.352 . 0 0 "[ . 1 . 2]" 1
626 1 60 VAL QG 1 67 TYR QD . . 10.400 3.822 3.601 4.175 . 0 0 "[ . 1 . 2]" 1
627 1 60 VAL QG 1 68 ILE H . . 7.700 3.795 3.542 3.907 . 0 0 "[ . 1 . 2]" 1
628 1 60 VAL QG 1 68 ILE MD . . 8.200 1.845 1.783 2.087 . 0 0 "[ . 1 . 2]" 1
629 1 61 PRO HA 1 62 GLU H . . 2.400 2.312 2.294 2.340 . 0 0 "[ . 1 . 2]" 1
630 1 61 PRO HA 1 63 GLU H . . 5.400 4.396 4.319 4.450 . 0 0 "[ . 1 . 2]" 1
631 1 61 PRO HB2 1 62 GLU H . . 3.900 3.757 3.577 3.895 . 0 0 "[ . 1 . 2]" 1
632 1 61 PRO HB2 1 63 GLU H . . 3.600 3.257 3.110 3.334 . 0 0 "[ . 1 . 2]" 1
633 1 61 PRO HB2 1 64 TRP H . . 3.600 2.911 2.785 3.033 . 0 0 "[ . 1 . 2]" 1
634 1 61 PRO HB2 1 64 TRP HB2 . . 6.000 3.272 3.129 3.422 . 0 0 "[ . 1 . 2]" 1
635 1 61 PRO HB2 1 64 TRP HB3 . . 6.000 5.019 4.875 5.179 . 0 0 "[ . 1 . 2]" 1
636 1 61 PRO HB2 1 64 TRP HE3 . . 4.600 4.349 4.110 4.560 . 0 0 "[ . 1 . 2]" 1
637 1 61 PRO HB3 1 62 GLU H . . 3.600 3.243 3.055 3.411 . 0 0 "[ . 1 . 2]" 1
638 1 61 PRO HB3 1 63 GLU H . . 5.200 3.633 3.504 3.690 . 0 0 "[ . 1 . 2]" 1
639 1 61 PRO HB3 1 64 TRP HE3 . . 6.000 5.785 5.521 5.968 . 0 0 "[ . 1 . 2]" 1
640 1 61 PRO HD2 1 64 TRP HB2 . . 3.700 2.819 2.706 2.877 . 0 0 "[ . 1 . 2]" 1
641 1 61 PRO HD2 1 64 TRP HB3 . . 4.100 4.087 4.026 4.132 0.032 2 0 "[ . 1 . 2]" 1
642 1 61 PRO HD2 1 64 TRP HE3 . . 4.000 2.476 2.290 2.624 . 0 0 "[ . 1 . 2]" 1
643 1 61 PRO HD3 1 64 TRP HE3 . . 6.000 3.900 3.699 4.043 . 0 0 "[ . 1 . 2]" 1
644 1 61 PRO QG 1 64 TRP H . . 6.880 4.716 4.590 4.811 . 0 0 "[ . 1 . 2]" 1
645 1 61 PRO QG 1 64 TRP HE3 . . 5.080 3.654 3.379 3.845 . 0 0 "[ . 1 . 2]" 1
646 1 61 PRO QG 1 64 TRP HZ3 . . 6.880 4.381 3.900 4.660 . 0 0 "[ . 1 . 2]" 1
647 1 61 PRO O 1 64 TRP H . . 2.400 1.891 1.852 1.960 . 0 0 "[ . 1 . 2]" 1
648 1 61 PRO O 1 64 TRP N . . 3.300 2.711 2.675 2.785 . 0 0 "[ . 1 . 2]" 1
649 1 62 GLU H 1 62 GLU HA . . 2.900 2.672 2.616 2.801 . 0 0 "[ . 1 . 2]" 1
650 1 62 GLU H 1 62 GLU HB2 . . 2.800 2.050 1.985 2.343 . 0 0 "[ . 1 . 2]" 1
651 1 62 GLU H 1 62 GLU HB3 . . 3.000 3.187 2.546 3.254 0.254 16 0 "[ . 1 . 2]" 1
652 1 62 GLU H 1 63 GLU H . . 3.900 3.043 2.753 3.161 . 0 0 "[ . 1 . 2]" 1
653 1 62 GLU HA 1 65 LYS H . . 3.100 2.926 2.811 3.087 . 0 0 "[ . 1 . 2]" 1
654 1 62 GLU HA 1 65 LYS HB2 . . 2.500 2.181 2.048 2.321 . 0 0 "[ . 1 . 2]" 1
655 1 62 GLU HA 1 65 LYS HB3 . . 3.500 3.589 3.562 3.617 0.117 20 0 "[ . 1 . 2]" 1
656 1 62 GLU HA 1 65 LYS QD . . 5.400 2.830 2.104 3.996 . 0 0 "[ . 1 . 2]" 1
657 1 62 GLU HA 1 65 LYS QE . . 5.900 4.206 3.348 4.382 . 0 0 "[ . 1 . 2]" 1
658 1 62 GLU HA 1 65 LYS QG . . 6.100 2.385 1.941 3.135 . 0 0 "[ . 1 . 2]" 1
659 1 62 GLU HB2 1 63 GLU H . . 4.200 2.808 2.601 3.838 . 0 0 "[ . 1 . 2]" 1
660 1 62 GLU HB2 1 65 LYS QD . . 7.000 5.084 3.191 6.309 . 0 0 "[ . 1 . 2]" 1
661 1 62 GLU HB3 1 63 GLU H . . 3.200 3.129 2.558 3.240 0.040 3 0 "[ . 1 . 2]" 1
662 1 62 GLU HB3 1 65 LYS QG . . 5.700 4.718 4.097 5.110 . 0 0 "[ . 1 . 2]" 1
663 1 62 GLU QG 1 65 LYS HB2 . . 5.480 3.961 3.559 4.156 . 0 0 "[ . 1 . 2]" 1
664 1 62 GLU QG 1 65 LYS HB3 . . 6.880 4.874 4.643 5.090 . 0 0 "[ . 1 . 2]" 1
665 1 62 GLU HG2 1 63 GLU H . . 6.000 5.013 4.768 5.139 . 0 0 "[ . 1 . 2]" 1
666 1 62 GLU HG3 1 63 GLU H . . 6.000 4.981 3.933 5.118 . 0 0 "[ . 1 . 2]" 1
667 1 62 GLU O 1 65 LYS H . . 2.400 2.140 1.967 2.288 . 0 0 "[ . 1 . 2]" 1
668 1 62 GLU O 1 65 LYS N . . 3.300 3.005 2.866 3.121 . 0 0 "[ . 1 . 2]" 1
669 1 63 GLU H 1 63 GLU HB2 . . 2.800 2.632 2.582 2.709 . 0 0 "[ . 1 . 2]" 1
670 1 63 GLU H 1 63 GLU HB3 . . 3.900 3.570 3.561 3.582 . 0 0 "[ . 1 . 2]" 1
671 1 63 GLU H 1 64 TRP H . . 3.100 2.814 2.781 2.887 . 0 0 "[ . 1 . 2]" 1
672 1 63 GLU H 1 65 LYS H . . 5.000 3.995 3.962 4.063 . 0 0 "[ . 1 . 2]" 1
673 1 63 GLU HA 1 63 GLU HB2 . . 3.000 3.040 3.038 3.042 0.042 14 0 "[ . 1 . 2]" 1
674 1 63 GLU HA 1 65 LYS H . . 4.800 4.357 4.217 4.434 . 0 0 "[ . 1 . 2]" 1
675 1 63 GLU HB2 1 64 TRP H . . 4.200 2.579 2.499 2.702 . 0 0 "[ . 1 . 2]" 1
676 1 63 GLU HB2 1 64 TRP HA . . 5.300 4.424 4.339 4.545 . 0 0 "[ . 1 . 2]" 1
677 1 63 GLU HB2 1 64 TRP HE3 . . 6.000 5.632 5.395 5.873 . 0 0 "[ . 1 . 2]" 1
678 1 63 GLU HB3 1 64 TRP H . . 4.800 3.708 3.626 3.775 . 0 0 "[ . 1 . 2]" 1
679 1 63 GLU HB3 1 64 TRP HE1 . . 6.000 4.750 4.475 4.977 . 0 0 "[ . 1 . 2]" 1
680 1 63 GLU QG 1 64 TRP H . . 7.000 4.344 4.285 4.424 . 0 0 "[ . 1 . 2]" 1
681 1 63 GLU QG 1 64 TRP HD1 . . 7.000 5.377 5.221 5.532 . 0 0 "[ . 1 . 2]" 1
682 1 63 GLU QG 1 64 TRP HE1 . . 7.000 5.970 5.768 6.183 . 0 0 "[ . 1 . 2]" 1
683 1 64 TRP H 1 64 TRP HB2 . . 3.000 2.323 2.280 2.357 . 0 0 "[ . 1 . 2]" 1
684 1 64 TRP H 1 64 TRP HB3 . . 3.600 3.589 3.552 3.613 0.013 20 0 "[ . 1 . 2]" 1
685 1 64 TRP H 1 64 TRP HE3 . . 5.600 4.924 4.791 5.016 . 0 0 "[ . 1 . 2]" 1
686 1 64 TRP H 1 65 LYS H . . 2.900 2.414 2.347 2.461 . 0 0 "[ . 1 . 2]" 1
687 1 64 TRP HA 1 64 TRP HB2 . . 3.000 3.017 3.010 3.022 0.022 7 0 "[ . 1 . 2]" 1
688 1 64 TRP HA 1 64 TRP HB3 . . 2.700 2.543 2.522 2.574 . 0 0 "[ . 1 . 2]" 1
689 1 64 TRP HA 1 64 TRP HD1 . . 2.400 2.246 2.210 2.302 . 0 0 "[ . 1 . 2]" 1
690 1 64 TRP HA 1 64 TRP HE1 . . 5.300 4.726 4.663 4.774 . 0 0 "[ . 1 . 2]" 1
691 1 64 TRP HA 1 65 LYS H . . 3.500 3.441 3.278 3.503 0.003 6 0 "[ . 1 . 2]" 1
692 1 64 TRP HA 1 67 TYR H . . 3.900 3.052 2.942 3.160 . 0 0 "[ . 1 . 2]" 1
693 1 64 TRP HA 1 67 TYR HB2 . . 4.400 4.158 4.013 4.404 0.004 8 0 "[ . 1 . 2]" 1
694 1 64 TRP HA 1 67 TYR QD . . 5.500 2.449 2.281 3.191 . 0 0 "[ . 1 . 2]" 1
695 1 64 TRP HA 1 67 TYR QE . . 7.100 3.638 3.309 4.911 . 0 0 "[ . 1 . 2]" 1
696 1 64 TRP HB2 1 64 TRP HD1 . . 3.800 3.763 3.724 3.802 0.002 19 0 "[ . 1 . 2]" 1
697 1 64 TRP HB2 1 64 TRP HE3 . . 2.900 2.828 2.776 2.881 . 0 0 "[ . 1 . 2]" 1
698 1 64 TRP HB2 1 65 LYS H . . 4.400 3.668 3.563 3.791 . 0 0 "[ . 1 . 2]" 1
699 1 64 TRP HB2 1 67 TYR QD . . 6.600 4.052 3.864 4.636 . 0 0 "[ . 1 . 2]" 1
700 1 64 TRP HB2 1 67 TYR QE . . 7.600 5.275 4.989 6.324 . 0 0 "[ . 1 . 2]" 1
701 1 64 TRP HB3 1 64 TRP HD1 . . 3.600 3.503 3.414 3.571 . 0 0 "[ . 1 . 2]" 1
702 1 64 TRP HB3 1 64 TRP HE3 . . 3.700 3.178 3.059 3.287 . 0 0 "[ . 1 . 2]" 1
703 1 64 TRP HB3 1 65 LYS H . . 5.100 4.298 4.195 4.391 . 0 0 "[ . 1 . 2]" 1
704 1 64 TRP HB3 1 67 TYR H . . 4.900 4.026 3.793 4.239 . 0 0 "[ . 1 . 2]" 1
705 1 64 TRP HB3 1 67 TYR QD . . 5.300 2.498 2.309 2.985 . 0 0 "[ . 1 . 2]" 1
706 1 64 TRP HB3 1 67 TYR QE . . 7.200 4.061 3.775 4.866 . 0 0 "[ . 1 . 2]" 1
707 1 64 TRP HD1 1 67 TYR QD . . 6.300 3.373 3.157 3.634 . 0 0 "[ . 1 . 2]" 1
708 1 64 TRP HD1 1 67 TYR QE . . 6.600 2.857 2.632 4.214 . 0 0 "[ . 1 . 2]" 1
709 1 64 TRP HE1 1 67 TYR QD . . 8.000 5.038 4.781 5.240 . 0 0 "[ . 1 . 2]" 1
710 1 64 TRP HE1 1 67 TYR QE . . 8.000 3.453 2.896 4.591 . 0 0 "[ . 1 . 2]" 1
711 1 65 LYS H 1 65 LYS HB2 . . 2.800 2.159 2.042 2.213 . 0 0 "[ . 1 . 2]" 1
712 1 65 LYS H 1 65 LYS HB3 . . 3.200 3.373 3.221 3.406 0.206 6 0 "[ . 1 . 2]" 1
713 1 65 LYS H 1 65 LYS QD . . 5.100 3.871 3.052 4.185 . 0 0 "[ . 1 . 2]" 1
714 1 65 LYS HA 1 65 LYS HB3 . . 2.800 2.631 2.563 2.852 0.052 3 0 "[ . 1 . 2]" 1
715 1 65 LYS HA 1 65 LYS QD . . 5.100 3.158 2.250 4.062 . 0 0 "[ . 1 . 2]" 1
716 1 65 LYS HA 1 68 ILE H . . 3.800 2.723 2.542 3.004 . 0 0 "[ . 1 . 2]" 1
717 1 65 LYS HA 1 68 ILE HB . . 2.800 2.469 2.108 2.836 0.036 15 0 "[ . 1 . 2]" 1
718 1 65 LYS HA 1 68 ILE MD . . 7.000 2.215 1.957 2.567 . 0 0 "[ . 1 . 2]" 1
719 1 65 LYS HA 1 68 ILE HG12 . . 4.700 3.345 2.846 4.611 . 0 0 "[ . 1 . 2]" 1
720 1 65 LYS HA 1 68 ILE QG . . 4.230 3.134 2.804 3.671 . 0 0 "[ . 1 . 2]" 1
721 1 65 LYS HA 1 68 ILE HG13 . . 4.700 4.311 3.467 4.548 . 0 0 "[ . 1 . 2]" 1
722 1 65 LYS QD 1 68 ILE MG . . 8.000 3.897 2.827 4.788 . 0 0 "[ . 1 . 2]" 1
723 1 65 LYS QG 1 68 ILE HB . . 7.000 3.675 3.036 5.044 . 0 0 "[ . 1 . 2]" 1
724 1 65 LYS QG 1 68 ILE MD . . 7.000 3.463 2.031 4.333 . 0 0 "[ . 1 . 2]" 1
725 1 66 SER HA 1 66 SER HB2 . . 2.900 2.688 2.576 2.998 0.098 6 0 "[ . 1 . 2]" 1
726 1 66 SER HA 1 66 SER QB . . 2.660 2.221 2.201 2.279 . 0 0 "[ . 1 . 2]" 1
727 1 66 SER HA 1 66 SER HB3 . . 2.900 2.378 2.298 2.412 . 0 0 "[ . 1 . 2]" 1
728 1 66 SER HA 1 68 ILE H . . 4.300 4.302 4.245 4.349 0.049 15 0 "[ . 1 . 2]" 1
729 1 66 SER HA 1 69 GLN H . . 5.700 3.589 3.423 3.656 . 0 0 "[ . 1 . 2]" 1
730 1 66 SER HA 1 70 LYS H . . 5.700 4.221 4.125 4.412 . 0 0 "[ . 1 . 2]" 1
731 1 66 SER O 1 70 LYS H . . 2.400 1.932 1.855 2.055 . 0 0 "[ . 1 . 2]" 1
732 1 66 SER O 1 70 LYS N . . 3.300 2.902 2.823 3.003 . 0 0 "[ . 1 . 2]" 1
733 1 67 TYR H 1 67 TYR HB2 . . 2.700 2.493 2.395 2.564 . 0 0 "[ . 1 . 2]" 1
734 1 67 TYR H 1 67 TYR QE . . 6.700 4.661 4.424 5.210 . 0 0 "[ . 1 . 2]" 1
735 1 67 TYR H 1 68 ILE H . . 3.300 2.721 2.665 2.776 . 0 0 "[ . 1 . 2]" 1
736 1 67 TYR H 1 68 ILE MG . . 7.000 5.786 5.726 5.838 . 0 0 "[ . 1 . 2]" 1
737 1 67 TYR HA 1 67 TYR HB2 . . 3.000 3.030 3.018 3.038 0.038 2 0 "[ . 1 . 2]" 1
738 1 67 TYR HA 1 69 GLN H . . 4.600 4.444 4.277 4.577 . 0 0 "[ . 1 . 2]" 1
739 1 67 TYR HA 1 70 LYS H . . 3.200 3.014 2.942 3.108 . 0 0 "[ . 1 . 2]" 1
740 1 67 TYR HA 1 70 LYS HB2 . . 2.900 2.935 2.903 2.957 0.057 1 0 "[ . 1 . 2]" 1
741 1 67 TYR HA 1 70 LYS HB3 . . 2.600 2.374 2.277 2.526 . 0 0 "[ . 1 . 2]" 1
742 1 67 TYR HA 1 71 ASN H . . 3.700 3.603 3.493 3.706 0.006 12 0 "[ . 1 . 2]" 1
743 1 67 TYR HB2 1 68 ILE H . . 4.200 3.060 2.875 3.243 . 0 0 "[ . 1 . 2]" 1
744 1 67 TYR HB2 1 71 ASN QD . . 6.800 3.947 3.440 6.131 . 0 0 "[ . 1 . 2]" 1
745 1 67 TYR HB3 1 68 ILE H . . 4.900 3.843 3.725 4.003 . 0 0 "[ . 1 . 2]" 1
746 1 67 TYR HB3 1 71 ASN H . . 4.100 4.199 4.128 4.242 0.142 16 0 "[ . 1 . 2]" 1
747 1 67 TYR HB3 1 71 ASN QD . . 6.500 2.602 2.250 4.908 . 0 0 "[ . 1 . 2]" 1
748 1 67 TYR QD 1 68 ILE H . . 8.000 4.592 4.442 4.894 . 0 0 "[ . 1 . 2]" 1
749 1 67 TYR QD 1 70 LYS HB2 . . 8.000 4.535 4.043 4.976 . 0 0 "[ . 1 . 2]" 1
750 1 67 TYR QD 1 70 LYS HB3 . . 8.000 3.596 3.024 4.014 . 0 0 "[ . 1 . 2]" 1
751 1 67 TYR QD 1 70 LYS HG2 . . 6.300 4.056 3.668 4.640 . 0 0 "[ . 1 . 2]" 1
752 1 67 TYR QD 1 70 LYS HG3 . . 8.000 5.069 4.672 5.791 . 0 0 "[ . 1 . 2]" 1
753 1 67 TYR QD 1 71 ASN H . . 6.800 4.946 4.266 5.138 . 0 0 "[ . 1 . 2]" 1
754 1 67 TYR QD 1 71 ASN QD . . 8.400 3.465 2.549 5.776 . 0 0 "[ . 1 . 2]" 1
755 1 67 TYR O 1 71 ASN H . . 2.400 1.746 1.733 1.757 . 0 0 "[ . 1 . 2]" 1
756 1 67 TYR O 1 71 ASN N . . 3.300 2.743 2.730 2.755 . 0 0 "[ . 1 . 2]" 1
757 1 68 ILE H 1 68 ILE HB . . 2.600 2.170 2.133 2.192 . 0 0 "[ . 1 . 2]" 1
758 1 68 ILE H 1 68 ILE MD . . 3.500 2.309 2.129 2.986 . 0 0 "[ . 1 . 2]" 1
759 1 68 ILE H 1 68 ILE HG12 . . 4.200 3.764 3.636 4.104 . 0 0 "[ . 1 . 2]" 1
760 1 68 ILE H 1 68 ILE QG . . 3.770 3.286 2.532 3.424 . 0 0 "[ . 1 . 2]" 1
761 1 68 ILE H 1 68 ILE HG13 . . 4.200 3.737 2.566 4.016 . 0 0 "[ . 1 . 2]" 1
762 1 68 ILE H 1 68 ILE MG . . 4.200 3.589 3.572 3.614 . 0 0 "[ . 1 . 2]" 1
763 1 68 ILE H 1 69 GLN H . . 3.000 2.516 2.457 2.639 . 0 0 "[ . 1 . 2]" 1
764 1 68 ILE H 1 70 LYS H . . 4.700 3.959 3.890 4.090 . 0 0 "[ . 1 . 2]" 1
765 1 68 ILE HA 1 68 ILE HG12 . . 3.900 3.543 2.726 3.709 . 0 0 "[ . 1 . 2]" 1
766 1 68 ILE HA 1 68 ILE QG . . 3.700 2.482 2.309 2.612 . 0 0 "[ . 1 . 2]" 1
767 1 68 ILE HA 1 68 ILE HG13 . . 3.900 2.545 2.374 2.674 . 0 0 "[ . 1 . 2]" 1
768 1 68 ILE HA 1 68 ILE MG . . 3.400 2.599 2.500 2.704 . 0 0 "[ . 1 . 2]" 1
769 1 68 ILE HA 1 71 ASN H . . 4.300 3.502 3.395 3.606 . 0 0 "[ . 1 . 2]" 1
770 1 68 ILE HA 1 71 ASN HB2 . . 2.900 2.516 2.387 2.785 . 0 0 "[ . 1 . 2]" 1
771 1 68 ILE HA 1 71 ASN HB3 . . 4.000 3.856 2.466 4.043 0.043 1 0 "[ . 1 . 2]" 1
772 1 68 ILE HA 1 71 ASN QD . . 7.000 3.488 3.069 4.526 . 0 0 "[ . 1 . 2]" 1
773 1 68 ILE HB 1 68 ILE MD . . 3.400 2.508 2.106 2.655 . 0 0 "[ . 1 . 2]" 1
774 1 68 ILE HB 1 68 ILE HG12 . . 3.000 2.446 2.323 3.012 0.012 18 0 "[ . 1 . 2]" 1
775 1 68 ILE HB 1 68 ILE HG13 . . 3.000 2.971 2.706 3.020 0.020 8 0 "[ . 1 . 2]" 1
776 1 68 ILE HB 1 69 GLN H . . 2.900 2.683 2.479 2.917 0.017 10 0 "[ . 1 . 2]" 1
777 1 68 ILE HG12 1 68 ILE MG . . 3.700 2.325 2.160 2.455 . 0 0 "[ . 1 . 2]" 1
778 1 68 ILE HG12 1 69 GLN H . . 6.000 5.009 4.889 5.185 . 0 0 "[ . 1 . 2]" 1
779 1 68 ILE HG13 1 68 ILE MG . . 3.700 2.454 2.304 3.135 . 0 0 "[ . 1 . 2]" 1
780 1 68 ILE HG13 1 69 GLN H . . 6.000 5.021 4.524 5.183 . 0 0 "[ . 1 . 2]" 1
781 1 68 ILE MG 1 69 GLN H . . 4.700 2.980 2.774 3.182 . 0 0 "[ . 1 . 2]" 1
782 1 68 ILE MG 1 71 ASN HB3 . . 6.200 4.931 3.678 5.172 . 0 0 "[ . 1 . 2]" 1
783 1 68 ILE MG 1 72 ARG HE . . 7.200 4.257 3.086 4.979 . 0 0 "[ . 1 . 2]" 1
784 1 69 GLN H 1 69 GLN HB2 . . 2.900 2.408 2.187 2.526 . 0 0 "[ . 1 . 2]" 1
785 1 69 GLN H 1 69 GLN HB3 . . 2.800 2.655 2.578 2.842 0.042 17 0 "[ . 1 . 2]" 1
786 1 69 GLN HA 1 69 GLN HB2 . . 2.900 2.512 2.439 2.656 . 0 0 "[ . 1 . 2]" 1
787 1 69 GLN HA 1 69 GLN HG2 . . 4.000 3.248 2.362 3.759 . 0 0 "[ . 1 . 2]" 1
788 1 69 GLN HA 1 69 GLN QG . . 3.800 2.671 2.278 3.018 . 0 0 "[ . 1 . 2]" 1
789 1 69 GLN HA 1 69 GLN HG3 . . 4.000 3.176 2.319 3.693 . 0 0 "[ . 1 . 2]" 1
790 1 69 GLN HA 1 70 LYS H . . 3.600 3.607 3.584 3.624 0.024 17 0 "[ . 1 . 2]" 1
791 1 69 GLN HA 1 72 ARG H . . 3.600 3.477 3.210 3.629 0.029 15 0 "[ . 1 . 2]" 1
792 1 69 GLN HA 1 72 ARG QB . . 3.780 2.593 2.306 2.851 . 0 0 "[ . 1 . 2]" 1
793 1 69 GLN HB2 1 70 LYS H . . 3.900 3.849 3.590 3.928 0.028 16 0 "[ . 1 . 2]" 1
794 1 69 GLN HB3 1 69 GLN HE22 . . 5.600 4.877 3.862 5.405 . 0 0 "[ . 1 . 2]" 1
795 1 69 GLN HB3 1 70 LYS H . . 3.000 2.610 2.481 2.713 . 0 0 "[ . 1 . 2]" 1
796 1 69 GLN QE 1 72 ARG QD . . 7.740 4.373 3.105 6.120 . 0 0 "[ . 1 . 2]" 1
797 1 69 GLN QG 1 72 ARG QB . . 6.820 3.903 3.386 4.125 . 0 0 "[ . 1 . 2]" 1
798 1 69 GLN QG 1 72 ARG QD . . 6.650 5.126 4.634 5.329 . 0 0 "[ . 1 . 2]" 1
799 1 69 GLN HG2 1 70 LYS H . . 6.000 4.718 3.777 5.050 . 0 0 "[ . 1 . 2]" 1
800 1 69 GLN HG2 1 72 ARG HB2 . . 7.750 5.911 4.534 6.732 . 0 0 "[ . 1 . 2]" 1
801 1 69 GLN HG2 1 72 ARG HB3 . . 7.750 5.076 3.953 5.806 . 0 0 "[ . 1 . 2]" 1
802 1 69 GLN HG3 1 70 LYS H . . 6.000 4.340 3.870 5.073 . 0 0 "[ . 1 . 2]" 1
803 1 69 GLN HG3 1 72 ARG HB2 . . 7.750 5.720 4.499 6.936 . 0 0 "[ . 1 . 2]" 1
804 1 69 GLN HG3 1 72 ARG HB3 . . 7.750 4.777 3.596 6.227 . 0 0 "[ . 1 . 2]" 1
805 1 69 GLN O 1 73 ASP H . . 2.400 1.848 1.786 1.949 . 0 0 "[ . 1 . 2]" 1
806 1 69 GLN O 1 73 ASP N . . 3.300 2.851 2.796 2.936 . 0 0 "[ . 1 . 2]" 1
807 1 70 LYS H 1 70 LYS HB2 . . 3.600 2.425 2.285 2.512 . 0 0 "[ . 1 . 2]" 1
808 1 70 LYS H 1 70 LYS HB3 . . 3.000 2.604 2.508 2.709 . 0 0 "[ . 1 . 2]" 1
809 1 70 LYS H 1 70 LYS HG2 . . 4.900 4.603 4.512 4.675 . 0 0 "[ . 1 . 2]" 1
810 1 70 LYS H 1 70 LYS HG3 . . 4.700 4.502 4.449 4.531 . 0 0 "[ . 1 . 2]" 1
811 1 70 LYS H 1 71 ASN H . . 2.700 2.746 2.725 2.780 0.080 10 0 "[ . 1 . 2]" 1
812 1 70 LYS HA 1 70 LYS HB2 . . 2.900 2.562 2.510 2.616 . 0 0 "[ . 1 . 2]" 1
813 1 70 LYS HA 1 70 LYS HB3 . . 3.000 3.036 3.018 3.053 0.053 6 0 "[ . 1 . 2]" 1
814 1 70 LYS HA 1 70 LYS HG3 . . 3.100 2.977 2.480 3.117 0.017 1 0 "[ . 1 . 2]" 1
815 1 70 LYS HA 1 71 ASN H . . 3.500 3.506 3.467 3.539 0.039 8 0 "[ . 1 . 2]" 1
816 1 70 LYS HA 1 73 ASP H . . 3.400 3.468 3.417 3.513 0.113 1 0 "[ . 1 . 2]" 1
817 1 70 LYS HA 1 73 ASP HB2 . . 3.700 3.497 3.375 3.725 0.025 6 0 "[ . 1 . 2]" 1
818 1 70 LYS HA 1 73 ASP HB3 . . 2.500 2.303 2.215 2.450 . 0 0 "[ . 1 . 2]" 1
819 1 70 LYS HA 1 74 PHE QE . . 8.000 5.390 5.074 5.664 . 0 0 "[ . 1 . 2]" 1
820 1 70 LYS HB2 1 70 LYS HG2 . . 2.900 2.565 2.485 3.003 0.103 3 0 "[ . 1 . 2]" 1
821 1 70 LYS HB2 1 70 LYS HG3 . . 3.000 3.002 2.588 3.047 0.047 4 0 "[ . 1 . 2]" 1
822 1 70 LYS HB2 1 71 ASN H . . 3.700 3.721 3.692 3.739 0.039 11 0 "[ . 1 . 2]" 1
823 1 70 LYS HB3 1 71 ASN H . . 3.000 2.420 2.307 2.555 . 0 0 "[ . 1 . 2]" 1
824 1 70 LYS HB3 1 71 ASN QD . . 7.000 3.317 2.893 5.243 . 0 0 "[ . 1 . 2]" 1
825 1 70 LYS QE 1 71 ASN HA . . 7.000 5.808 5.488 6.307 . 0 0 "[ . 1 . 2]" 1
826 1 70 LYS QE 1 74 PHE HZ . . 7.000 4.207 3.104 5.630 . 0 0 "[ . 1 . 2]" 1
827 1 70 LYS HG2 1 71 ASN H . . 5.000 4.433 3.613 4.698 . 0 0 "[ . 1 . 2]" 1
828 1 70 LYS HG2 1 74 PHE QE . . 7.700 3.186 2.885 4.148 . 0 0 "[ . 1 . 2]" 1
829 1 70 LYS HG2 1 74 PHE HZ . . 5.100 5.094 4.935 5.157 0.057 7 0 "[ . 1 . 2]" 1
830 1 70 LYS HG3 1 71 ASN H . . 6.000 3.845 3.565 4.496 . 0 0 "[ . 1 . 2]" 1
831 1 70 LYS HG3 1 74 PHE HZ . . 6.000 4.737 4.549 5.141 . 0 0 "[ . 1 . 2]" 1
832 1 70 LYS O 1 74 PHE H . . 2.400 1.866 1.797 1.982 . 0 0 "[ . 1 . 2]" 1
833 1 70 LYS O 1 74 PHE N . . 3.300 2.837 2.754 2.958 . 0 0 "[ . 1 . 2]" 1
834 1 71 ASN H 1 71 ASN HB2 . . 3.000 2.276 2.132 2.329 . 0 0 "[ . 1 . 2]" 1
835 1 71 ASN H 1 71 ASN QD . . 3.900 2.440 2.196 3.693 . 0 0 "[ . 1 . 2]" 1
836 1 71 ASN H 1 72 ARG H . . 2.900 2.806 2.662 2.936 0.036 10 0 "[ . 1 . 2]" 1
837 1 71 ASN HA 1 71 ASN HB2 . . 2.900 2.943 2.528 2.995 0.095 6 0 "[ . 1 . 2]" 1
838 1 71 ASN HA 1 71 ASN HB3 . . 3.000 2.646 2.552 3.051 0.051 10 0 "[ . 1 . 2]" 1
839 1 71 ASN HA 1 72 ARG H . . 3.600 3.600 3.551 3.629 0.029 13 0 "[ . 1 . 2]" 1
840 1 71 ASN HA 1 73 ASP H . . 5.100 4.719 4.542 5.009 . 0 0 "[ . 1 . 2]" 1
841 1 71 ASN HA 1 74 PHE QB . . 3.680 2.931 2.786 3.111 . 0 0 "[ . 1 . 2]" 1
842 1 71 ASN HA 1 74 PHE QD . . 8.000 3.027 2.442 4.597 . 0 0 "[ . 1 . 2]" 1
843 1 71 ASN HA 1 75 PHE QE . . 8.000 3.419 3.153 3.785 . 0 0 "[ . 1 . 2]" 1
844 1 71 ASN HB2 1 72 ARG H . . 3.700 2.968 2.761 3.749 0.049 8 0 "[ . 1 . 2]" 1
845 1 71 ASN HB2 1 75 PHE QD . . 8.000 6.435 5.802 6.836 . 0 0 "[ . 1 . 2]" 1
846 1 71 ASN HB3 1 72 ARG H . . 3.500 3.393 2.398 3.538 0.038 3 0 "[ . 1 . 2]" 1
847 1 72 ARG H 1 72 ARG HB2 . . 2.800 2.190 2.012 2.269 . 0 0 "[ . 1 . 2]" 1
848 1 72 ARG H 1 72 ARG QB . . 2.510 2.079 1.979 2.148 . 0 0 "[ . 1 . 2]" 1
849 1 72 ARG H 1 72 ARG HB3 . . 2.800 2.623 2.440 2.936 0.136 10 0 "[ . 1 . 2]" 1
850 1 72 ARG H 1 72 ARG HE . . 4.500 4.269 2.724 4.665 0.165 3 0 "[ . 1 . 2]" 1
851 1 72 ARG H 1 73 ASP H . . 2.900 2.554 2.472 2.603 . 0 0 "[ . 1 . 2]" 1
852 1 72 ARG H 1 73 ASP HB2 . . 4.700 4.753 4.503 4.827 0.127 9 0 "[ . 1 . 2]" 1
853 1 72 ARG H 1 73 ASP HB3 . . 4.200 4.256 4.162 4.342 0.142 6 0 "[ . 1 . 2]" 1
854 1 72 ARG HA 1 72 ARG HB2 . . 3.000 2.567 2.446 2.873 . 0 0 "[ . 1 . 2]" 1
855 1 72 ARG HA 1 72 ARG HB3 . . 3.000 3.025 2.958 3.046 0.046 13 0 "[ . 1 . 2]" 1
856 1 72 ARG HA 1 72 ARG HD2 . . 4.900 4.162 3.978 4.340 . 0 0 "[ . 1 . 2]" 1
857 1 72 ARG HA 1 72 ARG QD . . 4.210 3.770 3.594 3.868 . 0 0 "[ . 1 . 2]" 1
858 1 72 ARG HA 1 72 ARG HD3 . . 4.900 4.325 3.969 4.493 . 0 0 "[ . 1 . 2]" 1
859 1 72 ARG HA 1 72 ARG HE . . 3.000 2.764 2.340 3.173 0.173 14 0 "[ . 1 . 2]" 1
860 1 72 ARG HA 1 72 ARG QG . . 3.730 2.314 2.149 2.434 . 0 0 "[ . 1 . 2]" 1
861 1 72 ARG QB 1 72 ARG HE . . 4.210 2.708 1.999 3.072 . 0 0 "[ . 1 . 2]" 1
862 1 72 ARG HB2 1 72 ARG HD2 . . 4.200 2.345 2.191 2.566 . 0 0 "[ . 1 . 2]" 1
863 1 72 ARG HB2 1 72 ARG HD3 . . 4.200 3.509 3.457 3.562 . 0 0 "[ . 1 . 2]" 1
864 1 72 ARG HB2 1 72 ARG HE . . 4.400 2.759 2.010 3.161 . 0 0 "[ . 1 . 2]" 1
865 1 72 ARG HB2 1 73 ASP H . . 3.300 3.311 2.976 3.402 0.102 6 0 "[ . 1 . 2]" 1
866 1 72 ARG HB3 1 72 ARG HD2 . . 4.200 3.044 2.734 3.411 . 0 0 "[ . 1 . 2]" 1
867 1 72 ARG HB3 1 72 ARG HD3 . . 4.200 3.976 3.799 4.177 . 0 0 "[ . 1 . 2]" 1
868 1 72 ARG HB3 1 72 ARG HE . . 4.400 4.005 3.514 4.182 . 0 0 "[ . 1 . 2]" 1
869 1 72 ARG HB3 1 73 ASP H . . 3.300 2.128 2.024 2.338 . 0 0 "[ . 1 . 2]" 1
870 1 72 ARG QG 1 76 LYS QE . . 7.880 3.899 2.826 5.038 . 0 0 "[ . 1 . 2]" 1
871 1 72 ARG QG 1 76 LYS HG2 . . 4.280 3.292 2.764 3.807 . 0 0 "[ . 1 . 2]" 1
872 1 72 ARG QG 1 76 LYS HG3 . . 6.480 4.618 4.254 4.940 . 0 0 "[ . 1 . 2]" 1
873 1 72 ARG HG2 1 73 ASP H . . 6.000 3.944 3.637 4.546 . 0 0 "[ . 1 . 2]" 1
874 1 72 ARG HG3 1 73 ASP H . . 6.000 4.256 4.046 4.647 . 0 0 "[ . 1 . 2]" 1
875 1 72 ARG O 1 75 PHE H . . 2.400 2.745 1.953 3.453 1.053 2 6 "[ + .- 1 * . * **]" 1
876 1 72 ARG O 1 75 PHE N . . 3.300 3.584 2.827 4.328 1.028 2 6 "[ + .* 1 - . * **]" 1
877 1 73 ASP H 1 73 ASP HB2 . . 3.300 2.393 2.279 2.479 . 0 0 "[ . 1 . 2]" 1
878 1 73 ASP H 1 73 ASP HB3 . . 3.000 2.184 2.123 2.273 . 0 0 "[ . 1 . 2]" 1
879 1 73 ASP H 1 74 PHE H . . 3.400 2.834 2.754 2.926 . 0 0 "[ . 1 . 2]" 1
880 1 73 ASP H 1 77 LYS QE . . 7.000 6.112 5.432 6.391 . 0 0 "[ . 1 . 2]" 1
881 1 73 ASP HA 1 73 ASP HB2 . . 2.900 2.428 2.362 2.478 . 0 0 "[ . 1 . 2]" 1
882 1 73 ASP HA 1 76 LYS H . . 3.300 3.354 3.240 3.422 0.122 2 0 "[ . 1 . 2]" 1
883 1 73 ASP HA 1 76 LYS HB2 . . 2.900 2.533 2.270 2.703 . 0 0 "[ . 1 . 2]" 1
884 1 73 ASP HA 1 76 LYS HB3 . . 3.700 3.684 3.415 3.782 0.082 10 0 "[ . 1 . 2]" 1
885 1 73 ASP HA 1 76 LYS QE . . 6.700 5.476 5.019 6.029 . 0 0 "[ . 1 . 2]" 1
886 1 73 ASP HA 1 76 LYS HG2 . . 4.800 4.525 3.983 4.854 0.054 10 0 "[ . 1 . 2]" 1
887 1 73 ASP HA 1 76 LYS HG3 . . 5.700 5.490 5.186 5.714 0.014 10 0 "[ . 1 . 2]" 1
888 1 73 ASP HB2 1 74 PHE H . . 3.900 3.863 3.763 3.970 0.070 10 0 "[ . 1 . 2]" 1
889 1 73 ASP HB3 1 74 PHE H . . 3.300 2.490 2.340 2.711 . 0 0 "[ . 1 . 2]" 1
890 1 73 ASP O 1 76 LYS H . . 2.400 2.131 1.806 3.375 0.975 10 3 "[ . - + * 2]" 1
891 1 73 ASP O 1 76 LYS N . . 3.300 2.996 2.772 3.848 0.548 10 1 "[ . + . 2]" 1
892 1 74 PHE H 1 74 PHE HB2 . . 3.600 2.215 2.159 2.318 . 0 0 "[ . 1 . 2]" 1
893 1 74 PHE H 1 74 PHE QB . . 3.150 2.191 2.137 2.291 . 0 0 "[ . 1 . 2]" 1
894 1 74 PHE H 1 74 PHE HB3 . . 3.600 3.478 3.427 3.581 . 0 0 "[ . 1 . 2]" 1
895 1 74 PHE H 1 75 PHE H . . 3.200 3.129 2.928 3.242 0.042 2 0 "[ . 1 . 2]" 1
896 1 74 PHE HA 1 74 PHE HB2 . . 2.900 2.897 2.843 2.949 0.049 4 0 "[ . 1 . 2]" 1
897 1 74 PHE HA 1 74 PHE QB . . 2.660 2.499 2.452 2.517 . 0 0 "[ . 1 . 2]" 1
898 1 74 PHE HA 1 74 PHE HB3 . . 2.900 2.732 2.621 2.809 . 0 0 "[ . 1 . 2]" 1
899 1 74 PHE HA 1 74 PHE QE . . 5.900 4.370 4.007 4.549 . 0 0 "[ . 1 . 2]" 1
900 1 74 PHE HA 1 75 PHE H . . 3.600 3.545 3.523 3.593 . 0 0 "[ . 1 . 2]" 1
901 1 74 PHE QB 1 75 PHE H . . 3.990 2.577 2.416 2.806 . 0 0 "[ . 1 . 2]" 1
902 1 74 PHE HB2 1 75 PHE H . . 4.600 2.958 2.758 3.106 . 0 0 "[ . 1 . 2]" 1
903 1 74 PHE HB2 1 75 PHE QD . . 8.000 3.533 3.209 3.701 . 0 0 "[ . 1 . 2]" 1
904 1 74 PHE HB3 1 75 PHE H . . 4.600 2.853 2.561 3.333 . 0 0 "[ . 1 . 2]" 1
905 1 74 PHE HB3 1 75 PHE QD . . 8.000 3.248 3.108 3.522 . 0 0 "[ . 1 . 2]" 1
906 1 74 PHE QD 1 75 PHE QD . . 10.000 4.173 3.839 4.754 . 0 0 "[ . 1 . 2]" 1
907 1 74 PHE QD 1 75 PHE QE . . 9.500 3.386 2.842 4.204 . 0 0 "[ . 1 . 2]" 1
908 1 74 PHE QD 1 75 PHE HZ . . 7.000 3.830 2.791 4.594 . 0 0 "[ . 1 . 2]" 1
909 1 74 PHE QE 1 75 PHE QE . . 10.000 4.770 4.480 5.754 . 0 0 "[ . 1 . 2]" 1
910 1 75 PHE H 1 75 PHE HB2 . . 2.800 2.664 2.538 2.767 . 0 0 "[ . 1 . 2]" 1
911 1 75 PHE H 1 75 PHE HB3 . . 3.700 3.677 3.634 3.740 0.040 8 0 "[ . 1 . 2]" 1
912 1 75 PHE H 1 75 PHE QE . . 6.000 4.136 3.974 4.466 . 0 0 "[ . 1 . 2]" 1
913 1 75 PHE H 1 76 LYS H . . 3.000 2.392 2.051 2.537 . 0 0 "[ . 1 . 2]" 1
914 1 75 PHE HA 1 75 PHE HB2 . . 2.900 2.968 2.953 2.982 0.082 4 0 "[ . 1 . 2]" 1
915 1 75 PHE HA 1 75 PHE HB3 . . 2.700 2.329 2.303 2.377 . 0 0 "[ . 1 . 2]" 1
916 1 75 PHE HA 1 76 LYS H . . 3.600 3.365 3.091 3.574 . 0 0 "[ . 1 . 2]" 1
917 1 75 PHE HB3 1 76 LYS H . . 4.900 4.462 4.060 4.584 . 0 0 "[ . 1 . 2]" 1
918 1 76 LYS H 1 76 LYS HB2 . . 3.000 2.288 2.109 2.685 . 0 0 "[ . 1 . 2]" 1
919 1 76 LYS H 1 76 LYS HB3 . . 3.700 3.449 3.198 3.668 . 0 0 "[ . 1 . 2]" 1
920 1 76 LYS H 1 76 LYS QD . . 5.200 3.190 2.423 4.323 . 0 0 "[ . 1 . 2]" 1
921 1 76 LYS H 1 76 LYS QE . . 6.400 3.854 2.713 5.262 . 0 0 "[ . 1 . 2]" 1
922 1 76 LYS H 1 76 LYS HG2 . . 5.300 4.392 3.948 4.876 . 0 0 "[ . 1 . 2]" 1
923 1 76 LYS H 1 76 LYS HG3 . . 5.000 4.359 4.041 4.643 . 0 0 "[ . 1 . 2]" 1
924 1 76 LYS H 1 77 LYS H . . 4.300 3.269 2.050 4.456 0.156 10 0 "[ . 1 . 2]" 1
925 1 76 LYS HA 1 76 LYS HB3 . . 2.900 2.686 2.543 2.865 . 0 0 "[ . 1 . 2]" 1
926 1 76 LYS HB2 1 77 LYS H . . 4.900 4.039 2.240 4.736 . 0 0 "[ . 1 . 2]" 1
927 1 76 LYS HB3 1 77 LYS H . . 5.500 3.720 2.100 4.385 . 0 0 "[ . 1 . 2]" 1
928 1 76 LYS HB3 1 77 LYS QB . . 5.380 4.436 3.145 4.938 . 0 0 "[ . 1 . 2]" 1
929 1 76 LYS QD 1 77 LYS H . . 7.000 5.047 4.044 5.853 . 0 0 "[ . 1 . 2]" 1
930 1 77 LYS H 1 77 LYS HB2 . . 3.800 3.429 2.667 3.919 0.119 18 0 "[ . 1 . 2]" 1
931 1 77 LYS H 1 77 LYS QB . . 3.600 2.962 2.572 3.314 . 0 0 "[ . 1 . 2]" 1
932 1 77 LYS H 1 77 LYS HB3 . . 3.800 3.314 2.678 3.827 0.027 6 0 "[ . 1 . 2]" 1
933 1 77 LYS HA 1 77 LYS QD . . 4.400 3.378 2.174 4.055 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 5:48:54 PM GMT (wattos1)