NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369536 |
1bc6   |
4268 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bc6
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 980
_Distance_constraint_stats_list.Viol_count 1645
_Distance_constraint_stats_list.Viol_total 2321.242
_Distance_constraint_stats_list.Viol_max 1.540
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0706
_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 2.202 0.423 15 0 "[ . 1 . 2]"
1 2 TYR 0.845 0.461 20 0 "[ . 1 . 2]"
1 3 VAL 1.616 0.149 20 0 "[ . 1 . 2]"
1 4 ILE 4.976 0.197 19 0 "[ . 1 . 2]"
1 5 THR 0.412 0.068 20 0 "[ . 1 . 2]"
1 6 GLU 4.551 0.160 14 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 1.929 0.120 6 0 "[ . 1 . 2]"
1 10 GLY 2.613 0.195 16 0 "[ . 1 . 2]"
1 11 THR 0.066 0.055 9 0 "[ . 1 . 2]"
1 16 CYS 0.345 0.100 19 0 "[ . 1 . 2]"
1 17 VAL 0.018 0.008 11 0 "[ . 1 . 2]"
1 18 GLU 0.261 0.101 14 0 "[ . 1 . 2]"
1 19 VAL 0.307 0.101 14 0 "[ . 1 . 2]"
1 20 CYS 0.018 0.012 8 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 1.392 0.275 10 0 "[ . 1 . 2]"
1 24 CYS 0.338 0.050 15 0 "[ . 1 . 2]"
1 25 ILE 0.541 0.064 19 0 "[ . 1 . 2]"
1 26 HIS 5.389 0.212 15 0 "[ . 1 . 2]"
1 27 GLU 2.661 0.125 19 0 "[ . 1 . 2]"
1 28 GLY 1.289 0.345 10 0 "[ . 1 . 2]"
1 29 GLU 2.061 0.113 12 0 "[ . 1 . 2]"
1 30 ASP 2.000 0.254 12 0 "[ . 1 . 2]"
1 31 GLN 3.610 0.345 10 0 "[ . 1 . 2]"
1 32 TYR 1.618 0.112 15 0 "[ . 1 . 2]"
1 33 TYR 4.983 0.125 19 0 "[ . 1 . 2]"
1 34 ILE 2.994 0.117 1 0 "[ . 1 . 2]"
1 35 ASP 2.973 0.137 19 0 "[ . 1 . 2]"
1 36 PRO 1.112 0.100 17 0 "[ . 1 . 2]"
1 37 ASP 6.456 0.297 3 0 "[ . 1 . 2]"
1 38 VAL 1.052 0.105 9 0 "[ . 1 . 2]"
1 39 CYS 5.761 0.431 2 0 "[ . 1 . 2]"
1 40 ILE 1.763 0.097 19 0 "[ . 1 . 2]"
1 41 ASP 5.673 0.461 20 0 "[ . 1 . 2]"
1 42 CYS 1.076 0.097 19 0 "[ . 1 . 2]"
1 43 GLY 0.062 0.056 9 0 "[ . 1 . 2]"
1 45 CYS 3.864 1.028 19 2 "[ . 1 . +*]"
1 46 GLU 0.062 0.056 9 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.623 0.115 13 0 "[ . 1 . 2]"
1 49 CYS 10.739 1.540 13 5 "[ * . 1 + . -**]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.909 0.063 6 0 "[ . 1 . 2]"
1 53 ALA 0.582 0.072 12 0 "[ . 1 . 2]"
1 54 ILE 5.949 1.540 13 5 "[ * . 1 + . -**]"
1 55 TYR 5.815 0.149 20 0 "[ . 1 . 2]"
1 56 HIS 2.100 0.130 18 0 "[ . 1 . 2]"
1 57 GLU 2.778 0.148 20 0 "[ . 1 . 2]"
1 58 ASP 2.031 0.100 10 0 "[ . 1 . 2]"
1 59 PHE 5.206 0.198 12 0 "[ . 1 . 2]"
1 60 VAL 2.934 0.148 20 0 "[ . 1 . 2]"
1 61 PRO 1.232 0.093 20 0 "[ . 1 . 2]"
1 62 GLU 4.636 0.270 3 0 "[ . 1 . 2]"
1 63 GLU 1.152 0.082 10 0 "[ . 1 . 2]"
1 64 TRP 2.962 0.094 20 0 "[ . 1 . 2]"
1 65 LYS 0.649 0.070 9 0 "[ . 1 . 2]"
1 66 SER 0.041 0.016 16 0 "[ . 1 . 2]"
1 67 TYR 4.612 0.172 20 0 "[ . 1 . 2]"
1 68 ILE 2.487 0.172 20 0 "[ . 1 . 2]"
1 69 GLN 1.819 0.104 20 0 "[ . 1 . 2]"
1 70 LYS 5.643 0.144 20 0 "[ . 1 . 2]"
1 71 ASN 7.973 0.197 19 0 "[ . 1 . 2]"
1 72 ARG 5.061 0.799 12 1 "[ . 1 + . 2]"
1 73 ASP 5.800 0.232 6 0 "[ . 1 . 2]"
1 74 PHE 6.233 0.174 19 0 "[ . 1 . 2]"
1 75 PHE 7.051 0.799 12 1 "[ . 1 + . 2]"
1 76 LYS 2.426 0.160 13 0 "[ . 1 . 2]"
1 77 LYS 2.380 0.205 11 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 36 PRO HB3 . . 6.000 4.096 2.179 5.904 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 41 ASP H . . 4.400 3.996 3.031 4.823 0.423 15 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 36 PRO HA . . 3.400 2.372 2.043 2.689 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 36 PRO HB2 . . 5.300 2.817 2.121 3.837 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 36 PRO HB3 . . 3.700 2.982 2.258 3.172 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA MB 1 36 PRO QG . . 7.880 4.180 3.590 4.699 . 0 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 39 CYS HB2 . . 4.000 3.381 3.135 3.539 . 0 0 "[ . 1 . 2]" 1
8 1 2 TYR H 1 39 CYS HB2 . . 4.100 4.041 3.805 4.140 0.040 8 0 "[ . 1 . 2]" 1
9 1 2 TYR HA 1 3 VAL H . . 2.700 2.173 2.093 2.253 . 0 0 "[ . 1 . 2]" 1
10 1 2 TYR HA 1 3 VAL QG . . 7.700 2.996 2.634 3.970 . 0 0 "[ . 1 . 2]" 1
11 1 2 TYR HA 1 56 HIS HA . . 2.400 2.148 2.020 2.374 . 0 0 "[ . 1 . 2]" 1
12 1 2 TYR HA 1 56 HIS QB . . 6.580 3.722 3.249 4.033 . 0 0 "[ . 1 . 2]" 1
13 1 2 TYR HA 1 56 HIS HD2 . . 6.000 3.503 2.775 6.130 0.130 18 0 "[ . 1 . 2]" 1
14 1 2 TYR HA 1 57 GLU H . . 4.700 3.609 3.266 4.059 . 0 0 "[ . 1 . 2]" 1
15 1 2 TYR QB 1 34 ILE HB . . 6.880 5.390 4.873 5.836 . 0 0 "[ . 1 . 2]" 1
16 1 2 TYR QR 1 41 ASP H . . 6.500 4.187 3.735 6.961 0.461 20 0 "[ . 1 . 2]" 1
17 1 2 TYR QR 1 41 ASP QB . . 9.280 3.643 3.031 7.933 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL H 1 3 VAL HB . . 3.000 2.873 2.723 3.007 0.007 8 0 "[ . 1 . 2]" 1
19 1 3 VAL H 1 4 ILE H . . 6.000 4.453 4.383 4.494 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL H 1 55 TYR H . . 3.600 3.218 3.021 3.607 0.007 13 0 "[ . 1 . 2]" 1
21 1 3 VAL H 1 55 TYR HA . . 4.600 4.447 4.229 4.749 0.149 20 0 "[ . 1 . 2]" 1
22 1 3 VAL H 1 55 TYR HB2 . . 6.000 4.715 4.609 4.804 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL H 1 55 TYR QD . . 8.000 6.033 5.878 6.085 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL H 1 55 TYR O . . 2.400 1.810 1.754 1.852 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 56 HIS HA . . 2.900 2.971 2.907 3.016 0.116 12 0 "[ . 1 . 2]" 1
26 1 3 VAL H 1 60 VAL MG2 . . 6.800 3.973 3.838 4.147 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL HA 1 4 ILE H . . 3.100 2.262 2.159 2.336 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL HA 1 4 ILE MG . . 5.300 4.489 4.450 4.525 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL HA 1 34 ILE H . . 4.700 4.504 4.183 4.713 0.013 13 0 "[ . 1 . 2]" 1
30 1 3 VAL HA 1 34 ILE HB . . 6.000 2.715 2.415 2.989 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL HA 1 71 ASN QD . . 7.000 5.225 4.320 5.837 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HB 1 4 ILE H . . 5.100 3.389 3.205 4.039 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL HB 1 55 TYR H . . 6.000 4.478 4.255 5.164 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL HB 1 57 GLU HA . . 4.900 3.779 2.901 4.493 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL HB 1 60 VAL MG2 . . 4.100 3.134 2.993 3.363 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL QG 1 4 ILE H . . 5.800 2.032 1.953 2.285 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL QG 1 5 THR H . . 8.400 5.333 4.811 5.516 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL QG 1 55 TYR H . . 8.400 4.525 4.378 4.826 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL QG 1 55 TYR QD . . 10.400 6.187 5.971 6.326 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL QG 1 57 GLU H . . 7.300 2.628 2.407 3.568 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL QG 1 57 GLU QB . . 6.080 2.557 1.936 3.660 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL QG 1 60 VAL MG1 . . 6.700 4.146 3.502 4.206 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL QG 1 60 VAL MG2 . . 6.200 3.520 2.929 3.692 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL QG 1 67 TYR H . . 8.400 5.753 4.661 5.962 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL QG 1 67 TYR HB2 . . 6.400 4.565 3.419 4.755 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL QG 1 67 TYR HB3 . . 8.300 3.937 2.628 4.152 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL QG 1 68 ILE H . . 7.000 4.022 3.348 4.136 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL QG 1 68 ILE HA . . 4.800 2.057 1.950 2.171 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL QG 1 68 ILE HB . . 7.900 3.854 3.730 3.959 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL QG 1 68 ILE MD . . 5.800 2.095 1.996 2.149 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL QG 1 68 ILE QG . . 6.580 2.039 1.951 2.105 . 0 0 "[ . 1 . 2]" 1
52 1 3 VAL QG 1 68 ILE MG . . 5.900 2.326 2.092 2.716 . 0 0 "[ . 1 . 2]" 1
53 1 3 VAL QG 1 71 ASN H . . 6.000 3.854 3.407 4.126 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL QG 1 71 ASN HB2 . . 7.600 2.437 2.226 2.746 . 0 0 "[ . 1 . 2]" 1
55 1 3 VAL QG 1 71 ASN QD . . 7.300 3.033 2.302 3.626 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL N 1 55 TYR O . . 3.300 2.801 2.774 2.837 . 0 0 "[ . 1 . 2]" 1
57 1 4 ILE H 1 4 ILE HA . . 2.900 2.835 2.802 2.870 . 0 0 "[ . 1 . 2]" 1
58 1 4 ILE H 1 4 ILE HB . . 2.900 2.073 1.993 2.154 . 0 0 "[ . 1 . 2]" 1
59 1 4 ILE H 1 4 ILE MG . . 3.400 2.560 2.447 2.717 . 0 0 "[ . 1 . 2]" 1
60 1 4 ILE H 1 33 TYR QE . . 8.000 6.546 6.036 6.856 . 0 0 "[ . 1 . 2]" 1
61 1 4 ILE H 1 34 ILE H . . 4.100 3.946 3.704 4.106 0.006 11 0 "[ . 1 . 2]" 1
62 1 4 ILE H 1 71 ASN QD . . 5.300 3.593 2.932 4.064 . 0 0 "[ . 1 . 2]" 1
63 1 4 ILE HA 1 5 THR H . . 2.500 2.402 2.354 2.444 . 0 0 "[ . 1 . 2]" 1
64 1 4 ILE HA 1 54 ILE HA . . 3.900 2.678 2.519 3.518 . 0 0 "[ . 1 . 2]" 1
65 1 4 ILE HA 1 55 TYR H . . 3.600 3.678 3.640 3.716 0.116 3 0 "[ . 1 . 2]" 1
66 1 4 ILE HB 1 31 GLN QE . . 6.870 4.852 4.383 6.124 . 0 0 "[ . 1 . 2]" 1
67 1 4 ILE HB 1 33 TYR HA . . 4.400 2.671 2.474 2.847 . 0 0 "[ . 1 . 2]" 1
68 1 4 ILE HB 1 71 ASN H . . 6.000 6.170 6.142 6.197 0.197 19 0 "[ . 1 . 2]" 1
69 1 4 ILE HB 1 71 ASN QD . . 6.700 3.006 2.867 3.192 . 0 0 "[ . 1 . 2]" 1
70 1 4 ILE QG 1 5 THR H . . 6.900 2.205 2.045 2.498 . 0 0 "[ . 1 . 2]" 1
71 1 4 ILE QG 1 5 THR HA . . 7.000 4.117 3.796 4.484 . 0 0 "[ . 1 . 2]" 1
72 1 4 ILE QG 1 9 ILE MD . . 6.800 4.916 3.429 5.096 . 0 0 "[ . 1 . 2]" 1
73 1 4 ILE QG 1 33 TYR HA . . 6.000 3.313 3.032 3.680 . 0 0 "[ . 1 . 2]" 1
74 1 4 ILE QG 1 33 TYR QD . . 9.000 3.740 2.430 4.960 . 0 0 "[ . 1 . 2]" 1
75 1 4 ILE QG 1 55 TYR H . . 6.800 5.806 5.698 5.920 . 0 0 "[ . 1 . 2]" 1
76 1 4 ILE QG 1 67 TYR QD . . 9.000 5.121 4.520 5.664 . 0 0 "[ . 1 . 2]" 1
77 1 4 ILE MG 1 33 TYR HA . . 3.800 3.208 3.135 3.256 . 0 0 "[ . 1 . 2]" 1
78 1 4 ILE MG 1 33 TYR HB2 . . 6.300 5.181 4.964 5.294 . 0 0 "[ . 1 . 2]" 1
79 1 4 ILE MG 1 33 TYR QE . . 6.800 3.235 2.652 3.896 . 0 0 "[ . 1 . 2]" 1
80 1 4 ILE MG 1 71 ASN HB2 . . 5.800 4.269 4.052 4.665 . 0 0 "[ . 1 . 2]" 1
81 1 5 THR H 1 5 THR HB . . 3.900 3.864 3.716 3.924 0.024 7 0 "[ . 1 . 2]" 1
82 1 5 THR H 1 5 THR MG . . 4.000 3.296 3.213 3.345 . 0 0 "[ . 1 . 2]" 1
83 1 5 THR HA 1 5 THR HB . . 2.800 2.500 2.451 2.584 . 0 0 "[ . 1 . 2]" 1
84 1 5 THR HA 1 5 THR MG . . 3.400 2.335 2.234 2.400 . 0 0 "[ . 1 . 2]" 1
85 1 5 THR HA 1 67 TYR HB2 . . 4.500 3.415 3.117 3.632 . 0 0 "[ . 1 . 2]" 1
86 1 5 THR HA 1 67 TYR HB3 . . 3.800 3.747 3.516 3.868 0.068 20 0 "[ . 1 . 2]" 1
87 1 5 THR HA 1 67 TYR QD . . 5.700 3.129 2.637 3.642 . 0 0 "[ . 1 . 2]" 1
88 1 5 THR HA 1 67 TYR QE . . 7.400 4.415 4.112 4.980 . 0 0 "[ . 1 . 2]" 1
89 1 5 THR HB 1 7 PRO HD2 . . 3.600 2.745 2.476 3.273 . 0 0 "[ . 1 . 2]" 1
90 1 5 THR HB 1 7 PRO HD3 . . 6.000 4.005 3.745 4.242 . 0 0 "[ . 1 . 2]" 1
91 1 5 THR HB 1 55 TYR QD . . 8.000 3.866 3.554 4.173 . 0 0 "[ . 1 . 2]" 1
92 1 5 THR HB 1 64 TRP QB . . 6.380 3.327 3.219 3.650 . 0 0 "[ . 1 . 2]" 1
93 1 5 THR HB 1 64 TRP HD1 . . 5.800 5.598 5.117 5.829 0.029 9 0 "[ . 1 . 2]" 1
94 1 5 THR HB 1 64 TRP HE3 . . 4.900 2.478 2.307 2.745 . 0 0 "[ . 1 . 2]" 1
95 1 5 THR HB 1 67 TYR QD . . 6.200 4.236 3.820 4.969 . 0 0 "[ . 1 . 2]" 1
96 1 5 THR HB 1 67 TYR QE . . 7.200 4.871 4.394 5.982 . 0 0 "[ . 1 . 2]" 1
97 1 5 THR MG 1 7 PRO HD2 . . 4.700 3.949 3.885 4.015 . 0 0 "[ . 1 . 2]" 1
98 1 5 THR MG 1 55 TYR H . . 5.000 3.263 2.864 3.779 . 0 0 "[ . 1 . 2]" 1
99 1 5 THR MG 1 55 TYR HB2 . . 7.000 2.384 2.221 2.605 . 0 0 "[ . 1 . 2]" 1
100 1 5 THR MG 1 55 TYR QD . . 6.900 2.180 2.100 2.286 . 0 0 "[ . 1 . 2]" 1
101 1 5 THR MG 1 55 TYR QE . . 7.100 3.869 3.519 4.079 . 0 0 "[ . 1 . 2]" 1
102 1 5 THR MG 1 60 VAL HA . . 3.700 3.150 3.112 3.194 . 0 0 "[ . 1 . 2]" 1
103 1 5 THR MG 1 60 VAL MG2 . . 4.400 1.872 1.795 1.931 . 0 0 "[ . 1 . 2]" 1
104 1 5 THR MG 1 61 PRO HD2 . . 7.000 2.748 2.547 2.866 . 0 0 "[ . 1 . 2]" 1
105 1 5 THR MG 1 64 TRP QB . . 5.280 2.401 2.255 2.515 . 0 0 "[ . 1 . 2]" 1
106 1 5 THR MG 1 64 TRP HE3 . . 4.100 2.427 2.225 2.619 . 0 0 "[ . 1 . 2]" 1
107 1 5 THR MG 1 67 TYR QD . . 6.800 3.928 3.376 4.664 . 0 0 "[ . 1 . 2]" 1
108 1 5 THR MG 1 67 TYR QE . . 9.000 5.280 4.955 6.073 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLU HA 1 6 GLU HB2 . . 2.900 2.360 2.279 2.397 . 0 0 "[ . 1 . 2]" 1
110 1 6 GLU HA 1 6 GLU HB3 . . 2.800 2.950 2.942 2.960 0.160 14 0 "[ . 1 . 2]" 1
111 1 6 GLU HA 1 6 GLU HG2 . . 4.100 3.786 3.720 3.885 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLU HA 1 6 GLU HG3 . . 3.300 2.907 2.633 3.152 . 0 0 "[ . 1 . 2]" 1
113 1 6 GLU HA 1 9 ILE H . . 4.000 3.774 3.574 3.964 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLU HA 1 9 ILE HB . . 6.000 4.192 3.615 4.873 . 0 0 "[ . 1 . 2]" 1
115 1 6 GLU HA 1 9 ILE MD . . 3.500 2.377 2.122 2.968 . 0 0 "[ . 1 . 2]" 1
116 1 6 GLU HA 1 9 ILE HG12 . . 4.700 3.953 2.357 4.605 . 0 0 "[ . 1 . 2]" 1
117 1 6 GLU HA 1 9 ILE QG . . 3.970 2.804 2.293 3.270 . 0 0 "[ . 1 . 2]" 1
118 1 6 GLU HA 1 9 ILE HG13 . . 4.700 3.030 2.521 3.840 . 0 0 "[ . 1 . 2]" 1
119 1 6 GLU HA 1 67 TYR QD . . 8.000 4.704 4.340 5.454 . 0 0 "[ . 1 . 2]" 1
120 1 6 GLU HA 1 67 TYR QE . . 5.800 3.457 2.910 4.399 . 0 0 "[ . 1 . 2]" 1
121 1 6 GLU HB2 1 7 PRO HD2 . . 4.800 3.842 3.693 4.296 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLU HB2 1 7 PRO HD3 . . 4.500 3.860 3.702 3.975 . 0 0 "[ . 1 . 2]" 1
123 1 6 GLU HB2 1 64 TRP HD1 . . 6.000 4.326 4.043 4.554 . 0 0 "[ . 1 . 2]" 1
124 1 6 GLU HB2 1 64 TRP HE1 . . 4.600 3.573 3.206 3.845 . 0 0 "[ . 1 . 2]" 1
125 1 6 GLU HB2 1 64 TRP HH2 . . 6.000 4.446 4.082 4.879 . 0 0 "[ . 1 . 2]" 1
126 1 6 GLU HB2 1 64 TRP HZ2 . . 4.800 3.714 3.364 4.105 . 0 0 "[ . 1 . 2]" 1
127 1 6 GLU HB2 1 67 TYR QE . . 7.100 2.559 2.245 4.159 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLU HB3 1 7 PRO HD2 . . 3.200 2.428 2.280 2.822 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLU HB3 1 7 PRO HD3 . . 5.200 2.175 2.093 2.285 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLU HB3 1 7 PRO QG . . 6.480 3.956 3.907 3.992 . 0 0 "[ . 1 . 2]" 1
131 1 6 GLU HB3 1 64 TRP HE1 . . 5.600 4.627 4.129 4.997 . 0 0 "[ . 1 . 2]" 1
132 1 6 GLU HB3 1 64 TRP HH2 . . 5.500 3.365 3.177 3.651 . 0 0 "[ . 1 . 2]" 1
133 1 6 GLU HB3 1 64 TRP HZ2 . . 6.000 3.656 3.494 3.795 . 0 0 "[ . 1 . 2]" 1
134 1 6 GLU HG2 1 7 PRO HD3 . . 4.900 3.274 2.666 3.672 . 0 0 "[ . 1 . 2]" 1
135 1 6 GLU HG2 1 64 TRP HH2 . . 3.100 3.125 3.026 3.154 0.054 3 0 "[ . 1 . 2]" 1
136 1 6 GLU HG2 1 64 TRP HZ2 . . 3.700 2.511 2.300 2.685 . 0 0 "[ . 1 . 2]" 1
137 1 6 GLU HG2 1 64 TRP HZ3 . . 4.600 4.648 4.604 4.694 0.094 20 0 "[ . 1 . 2]" 1
138 1 6 GLU HG3 1 7 PRO HD3 . . 3.700 3.264 2.793 3.615 . 0 0 "[ . 1 . 2]" 1
139 1 6 GLU HG3 1 64 TRP HH2 . . 6.000 4.548 4.372 4.759 . 0 0 "[ . 1 . 2]" 1
140 1 6 GLU HG3 1 64 TRP HZ2 . . 5.100 4.248 4.025 4.445 . 0 0 "[ . 1 . 2]" 1
141 1 6 GLU HG3 1 64 TRP HZ3 . . 6.000 5.697 5.421 6.017 0.017 5 0 "[ . 1 . 2]" 1
142 1 6 GLU HG3 1 67 TYR QE . . 8.000 4.872 4.558 6.441 . 0 0 "[ . 1 . 2]" 1
143 1 6 GLU O 1 9 ILE H . . 2.400 1.875 1.834 1.945 . 0 0 "[ . 1 . 2]" 1
144 1 6 GLU O 1 9 ILE N . . 3.300 2.850 2.787 2.932 . 0 0 "[ . 1 . 2]" 1
145 1 7 PRO HA 1 9 ILE H . . 4.100 3.839 3.645 4.018 . 0 0 "[ . 1 . 2]" 1
146 1 7 PRO HD2 1 64 TRP HE3 . . 6.000 4.272 3.818 5.067 . 0 0 "[ . 1 . 2]" 1
147 1 7 PRO HD2 1 64 TRP HZ3 . . 6.000 3.538 3.321 4.521 . 0 0 "[ . 1 . 2]" 1
148 1 7 PRO HD3 1 64 TRP HH2 . . 6.000 3.412 2.890 3.937 . 0 0 "[ . 1 . 2]" 1
149 1 7 PRO HD3 1 64 TRP HZ3 . . 6.000 3.399 3.145 4.028 . 0 0 "[ . 1 . 2]" 1
150 1 7 PRO QG 1 55 TYR QE . . 8.880 3.165 2.690 3.759 . 0 0 "[ . 1 . 2]" 1
151 1 7 PRO QG 1 64 TRP HZ3 . . 6.280 3.791 3.508 4.524 . 0 0 "[ . 1 . 2]" 1
152 1 8 CYS SG 1 16 CYS SG . . 6.380 6.014 5.768 6.226 . 0 0 "[ . 1 . 2]" 1
153 1 8 CYS SG 1 49 CYS SG . . 6.380 6.220 6.042 6.366 . 0 0 "[ . 1 . 2]" 1
154 1 9 ILE H 1 9 ILE HA . . 2.700 2.693 2.538 2.760 0.060 13 0 "[ . 1 . 2]" 1
155 1 9 ILE H 1 9 ILE HB . . 2.400 2.446 2.405 2.520 0.120 6 0 "[ . 1 . 2]" 1
156 1 9 ILE H 1 9 ILE MD . . 4.100 3.327 1.936 3.545 . 0 0 "[ . 1 . 2]" 1
157 1 9 ILE H 1 9 ILE HG12 . . 3.700 3.193 1.952 3.608 . 0 0 "[ . 1 . 2]" 1
158 1 9 ILE H 1 9 ILE QG . . 3.120 2.100 1.927 2.786 . 0 0 "[ . 1 . 2]" 1
159 1 9 ILE H 1 9 ILE HG13 . . 3.700 2.349 1.960 3.745 0.045 7 0 "[ . 1 . 2]" 1
160 1 9 ILE HA 1 9 ILE MD . . 4.400 3.456 2.207 3.747 . 0 0 "[ . 1 . 2]" 1
161 1 9 ILE HA 1 9 ILE MG . . 3.400 2.497 2.383 2.660 . 0 0 "[ . 1 . 2]" 1
162 1 9 ILE HA 1 31 GLN QB . . 6.880 2.257 1.962 3.396 . 0 0 "[ . 1 . 2]" 1
163 1 9 ILE HB 1 9 ILE HG12 . . 3.000 2.927 2.219 3.045 0.045 3 0 "[ . 1 . 2]" 1
164 1 9 ILE HB 1 9 ILE HG13 . . 3.000 2.534 2.197 2.854 . 0 0 "[ . 1 . 2]" 1
165 1 9 ILE HB 1 10 GLY HA3 . . 5.300 5.153 4.833 5.312 0.012 8 0 "[ . 1 . 2]" 1
166 1 9 ILE HB 1 11 THR H . . 5.500 5.246 4.884 5.555 0.055 9 0 "[ . 1 . 2]" 1
167 1 9 ILE MD 1 31 GLN HG2 . . 5.500 3.989 2.535 4.665 . 0 0 "[ . 1 . 2]" 1
168 1 9 ILE MD 1 67 TYR QE . . 7.800 3.173 2.697 3.726 . 0 0 "[ . 1 . 2]" 1
169 1 9 ILE QG 1 67 TYR QE . . 6.580 4.371 3.704 4.712 . 0 0 "[ . 1 . 2]" 1
170 1 9 ILE MG 1 10 GLY H . . 3.500 2.733 2.418 2.939 . 0 0 "[ . 1 . 2]" 1
171 1 9 ILE MG 1 10 GLY HA2 . . 7.000 3.808 3.549 4.167 . 0 0 "[ . 1 . 2]" 1
172 1 9 ILE MG 1 10 GLY HA3 . . 6.100 3.496 3.181 3.987 . 0 0 "[ . 1 . 2]" 1
173 1 9 ILE MG 1 30 ASP HB2 . . 7.000 3.970 2.566 4.439 . 0 0 "[ . 1 . 2]" 1
174 1 9 ILE MG 1 30 ASP HB3 . . 3.800 3.109 2.502 3.212 . 0 0 "[ . 1 . 2]" 1
175 1 9 ILE MG 1 31 GLN HG2 . . 7.000 4.252 3.123 5.853 . 0 0 "[ . 1 . 2]" 1
176 1 10 GLY H 1 10 GLY HA3 . . 2.900 2.885 2.623 2.982 0.082 9 0 "[ . 1 . 2]" 1
177 1 10 GLY H 1 11 THR H . . 4.300 2.969 2.352 3.573 . 0 0 "[ . 1 . 2]" 1
178 1 10 GLY H 1 30 ASP HB3 . . 4.800 4.040 3.507 4.571 . 0 0 "[ . 1 . 2]" 1
179 1 10 GLY H 1 31 GLN QB . . 6.780 2.950 2.348 4.409 . 0 0 "[ . 1 . 2]" 1
180 1 10 GLY H 1 31 GLN HG3 . . 5.200 5.295 5.132 5.395 0.195 16 0 "[ . 1 . 2]" 1
181 1 11 THR HA 1 11 THR MG . . 3.400 2.318 2.154 2.448 . 0 0 "[ . 1 . 2]" 1
182 1 16 CYS HA 1 16 CYS HB2 . . 2.800 2.422 2.179 2.553 . 0 0 "[ . 1 . 2]" 1
183 1 16 CYS HA 1 45 CYS HB2 . . 4.500 3.886 3.355 4.517 0.017 9 0 "[ . 1 . 2]" 1
184 1 16 CYS HB2 1 19 VAL MG2 . . 4.600 3.697 2.984 3.884 . 0 0 "[ . 1 . 2]" 1
185 1 16 CYS HB2 1 25 ILE HB . . 5.500 5.300 4.305 5.551 0.051 3 0 "[ . 1 . 2]" 1
186 1 16 CYS HB2 1 25 ILE QG . . 3.700 3.156 2.746 3.391 . 0 0 "[ . 1 . 2]" 1
187 1 16 CYS HB2 1 45 CYS HA . . 4.500 4.305 3.911 4.600 0.100 19 0 "[ . 1 . 2]" 1
188 1 16 CYS HB2 1 45 CYS HB2 . . 3.200 2.853 2.438 3.188 . 0 0 "[ . 1 . 2]" 1
189 1 16 CYS HB2 1 48 VAL QG . . 5.960 3.941 3.307 4.268 . 0 0 "[ . 1 . 2]" 1
190 1 16 CYS HB2 1 54 ILE MD . . 4.100 2.557 2.250 3.140 . 0 0 "[ . 1 . 2]" 1
191 1 16 CYS SG 1 49 CYS SG . . 6.380 5.949 5.757 6.073 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL HA 1 17 VAL HB . . 2.500 2.423 2.226 2.508 0.008 11 0 "[ . 1 . 2]" 1
193 1 17 VAL QG 1 18 GLU QB . . 8.540 3.351 2.730 3.784 . 0 0 "[ . 1 . 2]" 1
194 1 17 VAL QG 1 18 GLU HG2 . . 6.860 3.545 2.533 4.316 . 0 0 "[ . 1 . 2]" 1
195 1 17 VAL QG 1 19 VAL MG1 . . 7.560 4.552 3.530 4.723 . 0 0 "[ . 1 . 2]" 1
196 1 18 GLU H 1 18 GLU QB . . 3.590 2.700 2.359 3.382 . 0 0 "[ . 1 . 2]" 1
197 1 18 GLU H 1 18 GLU HG2 . . 4.500 3.310 1.994 4.149 . 0 0 "[ . 1 . 2]" 1
198 1 18 GLU H 1 18 GLU HG3 . . 5.000 2.799 2.047 3.757 . 0 0 "[ . 1 . 2]" 1
199 1 18 GLU H 1 19 VAL H . . 3.200 2.855 2.419 3.301 0.101 14 0 "[ . 1 . 2]" 1
200 1 18 GLU QB 1 18 GLU HG2 . . 2.650 2.316 2.140 2.434 . 0 0 "[ . 1 . 2]" 1
201 1 18 GLU QB 1 18 GLU HG3 . . 2.750 2.379 2.125 2.493 . 0 0 "[ . 1 . 2]" 1
202 1 19 VAL H 1 19 VAL MG1 . . 4.100 2.171 2.058 2.274 . 0 0 "[ . 1 . 2]" 1
203 1 19 VAL H 1 19 VAL MG2 . . 3.900 2.279 2.046 2.551 . 0 0 "[ . 1 . 2]" 1
204 1 19 VAL H 1 20 CYS H . . 3.700 2.586 2.309 2.874 . 0 0 "[ . 1 . 2]" 1
205 1 19 VAL H 1 20 CYS HB3 . . 6.000 4.811 4.522 5.246 . 0 0 "[ . 1 . 2]" 1
206 1 19 VAL HA 1 19 VAL HB . . 2.400 2.349 2.272 2.426 0.026 5 0 "[ . 1 . 2]" 1
207 1 19 VAL HA 1 19 VAL MG1 . . 3.400 2.394 2.320 2.499 . 0 0 "[ . 1 . 2]" 1
208 1 19 VAL MG2 1 45 CYS HA . . 3.800 2.434 2.202 2.954 . 0 0 "[ . 1 . 2]" 1
209 1 19 VAL MG2 1 45 CYS HB2 . . 4.500 3.363 2.919 3.549 . 0 0 "[ . 1 . 2]" 1
210 1 19 VAL MG2 1 48 VAL MG1 . . 8.000 3.129 2.262 3.883 . 0 0 "[ . 1 . 2]" 1
211 1 19 VAL MG2 1 48 VAL QG . . 6.600 2.434 2.140 3.237 . 0 0 "[ . 1 . 2]" 1
212 1 19 VAL MG2 1 48 VAL MG2 . . 8.000 3.014 2.158 4.367 . 0 0 "[ . 1 . 2]" 1
213 1 20 CYS H 1 20 CYS HB3 . . 3.100 2.402 2.250 2.635 . 0 0 "[ . 1 . 2]" 1
214 1 20 CYS HB3 1 21 PRO QD . . 5.000 4.231 4.078 4.306 . 0 0 "[ . 1 . 2]" 1
215 1 20 CYS HB3 1 23 ASP H . . 4.500 3.311 2.834 4.218 . 0 0 "[ . 1 . 2]" 1
216 1 20 CYS HB3 1 23 ASP HA . . 3.200 2.787 2.242 3.205 0.005 5 0 "[ . 1 . 2]" 1
217 1 20 CYS HB3 1 25 ILE MD . . 5.300 2.490 2.245 3.486 . 0 0 "[ . 1 . 2]" 1
218 1 20 CYS HB3 1 25 ILE QG . . 4.900 4.250 3.713 4.414 . 0 0 "[ . 1 . 2]" 1
219 1 20 CYS SG 1 39 CYS SG . . 6.380 6.002 5.911 6.102 . 0 0 "[ . 1 . 2]" 1
220 1 20 CYS SG 1 42 CYS SG . . 6.380 5.997 5.843 6.234 . 0 0 "[ . 1 . 2]" 1
221 1 20 CYS SG 1 45 CYS SG . . 6.380 6.200 6.034 6.392 0.012 8 0 "[ . 1 . 2]" 1
222 1 21 PRO HB3 1 40 ILE QG . . 5.800 5.015 4.718 5.205 . 0 0 "[ . 1 . 2]" 1
223 1 22 VAL QG 1 39 CYS HB2 . . 5.400 3.994 3.903 4.076 . 0 0 "[ . 1 . 2]" 1
224 1 23 ASP H 1 23 ASP HB2 . . 3.700 3.298 2.378 3.761 0.061 6 0 "[ . 1 . 2]" 1
225 1 23 ASP HA 1 23 ASP HB3 . . 2.600 2.565 2.442 2.875 0.275 10 0 "[ . 1 . 2]" 1
226 1 23 ASP HB3 1 24 CYS QB . . 6.880 5.372 4.565 6.016 . 0 0 "[ . 1 . 2]" 1
227 1 24 CYS HA 1 24 CYS HB2 . . 3.000 2.498 2.319 3.017 0.017 18 0 "[ . 1 . 2]" 1
228 1 24 CYS HA 1 24 CYS HB3 . . 3.000 2.690 2.439 3.032 0.032 14 0 "[ . 1 . 2]" 1
229 1 24 CYS HA 1 25 ILE QG . . 6.700 5.592 4.764 5.986 . 0 0 "[ . 1 . 2]" 1
230 1 24 CYS HA 1 26 HIS HD2 . . 6.000 4.672 3.938 5.981 . 0 0 "[ . 1 . 2]" 1
231 1 24 CYS HA 1 35 ASP QB . . 6.880 4.462 3.894 5.502 . 0 0 "[ . 1 . 2]" 1
232 1 24 CYS HA 1 38 VAL HB . . 6.000 5.330 4.871 5.909 . 0 0 "[ . 1 . 2]" 1
233 1 24 CYS HA 1 38 VAL MG1 . . 7.000 4.188 3.808 4.560 . 0 0 "[ . 1 . 2]" 1
234 1 24 CYS HA 1 38 VAL MG2 . . 7.000 5.102 4.751 5.500 . 0 0 "[ . 1 . 2]" 1
235 1 24 CYS QB 1 25 ILE HA . . 6.680 4.701 4.050 4.923 . 0 0 "[ . 1 . 2]" 1
236 1 24 CYS QB 1 25 ILE QG . . 7.880 5.378 4.376 5.852 . 0 0 "[ . 1 . 2]" 1
237 1 24 CYS QB 1 35 ASP H . . 6.580 2.855 2.430 3.802 . 0 0 "[ . 1 . 2]" 1
238 1 24 CYS QB 1 35 ASP QB . . 4.520 2.422 2.054 3.314 . 0 0 "[ . 1 . 2]" 1
239 1 24 CYS QB 1 38 VAL HB . . 3.200 2.723 2.563 2.934 . 0 0 "[ . 1 . 2]" 1
240 1 24 CYS QB 1 38 VAL MG1 . . 5.990 2.084 1.943 2.281 . 0 0 "[ . 1 . 2]" 1
241 1 24 CYS QB 1 38 VAL MG2 . . 5.380 3.195 2.826 3.469 . 0 0 "[ . 1 . 2]" 1
242 1 24 CYS HB2 1 35 ASP HB2 . . 5.150 3.967 2.077 5.167 0.017 19 0 "[ . 1 . 2]" 1
243 1 24 CYS HB2 1 35 ASP HB3 . . 5.150 3.080 2.159 4.885 . 0 0 "[ . 1 . 2]" 1
244 1 24 CYS HB2 1 38 VAL HB . . 3.600 3.156 2.739 3.650 0.050 15 0 "[ . 1 . 2]" 1
245 1 24 CYS HB2 1 38 VAL MG1 . . 6.800 2.650 2.091 3.437 . 0 0 "[ . 1 . 2]" 1
246 1 24 CYS HB3 1 35 ASP HB2 . . 5.150 4.387 2.850 5.178 0.028 20 0 "[ . 1 . 2]" 1
247 1 24 CYS HB3 1 35 ASP HB3 . . 5.150 3.393 2.152 5.183 0.033 4 0 "[ . 1 . 2]" 1
248 1 24 CYS HB3 1 38 VAL HB . . 3.600 3.077 2.745 3.426 . 0 0 "[ . 1 . 2]" 1
249 1 24 CYS HB3 1 38 VAL MG1 . . 6.800 2.405 1.976 3.307 . 0 0 "[ . 1 . 2]" 1
250 1 25 ILE H 1 26 HIS H . . 5.100 4.248 3.397 4.489 . 0 0 "[ . 1 . 2]" 1
251 1 25 ILE HA 1 26 HIS H . . 2.400 2.225 2.176 2.286 . 0 0 "[ . 1 . 2]" 1
252 1 25 ILE HA 1 26 HIS HD2 . . 4.500 4.350 3.938 4.543 0.043 6 0 "[ . 1 . 2]" 1
253 1 25 ILE HA 1 34 ILE HA . . 2.400 2.325 2.246 2.464 0.064 19 0 "[ . 1 . 2]" 1
254 1 25 ILE QG 1 26 HIS H . . 5.000 4.262 3.927 4.501 . 0 0 "[ . 1 . 2]" 1
255 1 25 ILE QG 1 34 ILE HB . . 5.500 4.694 4.365 4.928 . 0 0 "[ . 1 . 2]" 1
256 1 25 ILE QG 1 34 ILE MG . . 8.000 3.286 2.520 3.682 . 0 0 "[ . 1 . 2]" 1
257 1 25 ILE QG 1 35 ASP H . . 7.000 5.131 4.105 5.517 . 0 0 "[ . 1 . 2]" 1
258 1 26 HIS H 1 26 HIS HB2 . . 3.500 2.819 2.389 3.712 0.212 15 0 "[ . 1 . 2]" 1
259 1 26 HIS H 1 26 HIS QB . . 3.000 2.470 2.357 2.685 . 0 0 "[ . 1 . 2]" 1
260 1 26 HIS H 1 26 HIS HB3 . . 3.500 3.344 2.606 3.683 0.183 3 0 "[ . 1 . 2]" 1
261 1 26 HIS H 1 26 HIS HD2 . . 4.400 3.360 2.378 4.431 0.031 17 0 "[ . 1 . 2]" 1
262 1 26 HIS H 1 33 TYR H . . 3.200 3.114 2.981 3.243 0.043 8 0 "[ . 1 . 2]" 1
263 1 26 HIS H 1 33 TYR HB3 . . 6.000 4.873 4.602 5.044 . 0 0 "[ . 1 . 2]" 1
264 1 26 HIS H 1 33 TYR O . . 2.400 1.883 1.796 1.969 . 0 0 "[ . 1 . 2]" 1
265 1 26 HIS H 1 34 ILE HA . . 3.100 3.136 3.064 3.192 0.092 14 0 "[ . 1 . 2]" 1
266 1 26 HIS H 1 75 PHE QE . . 8.000 4.633 4.360 5.084 . 0 0 "[ . 1 . 2]" 1
267 1 26 HIS H 1 75 PHE HZ . . 5.500 4.065 3.374 4.915 . 0 0 "[ . 1 . 2]" 1
268 1 26 HIS HA 1 26 HIS HB2 . . 3.000 2.770 2.189 3.025 0.025 11 0 "[ . 1 . 2]" 1
269 1 26 HIS HA 1 26 HIS QB . . 2.720 2.299 2.100 2.504 . 0 0 "[ . 1 . 2]" 1
270 1 26 HIS HA 1 26 HIS HB3 . . 3.000 2.554 2.424 2.744 . 0 0 "[ . 1 . 2]" 1
271 1 26 HIS HA 1 27 GLU QG . . 6.880 3.384 3.048 3.854 . 0 0 "[ . 1 . 2]" 1
272 1 26 HIS QB 1 27 GLU QG . . 7.750 4.203 3.782 4.851 . 0 0 "[ . 1 . 2]" 1
273 1 26 HIS QB 1 33 TYR HB2 . . 6.880 3.713 2.714 4.870 . 0 0 "[ . 1 . 2]" 1
274 1 26 HIS QB 1 74 PHE QE . . 8.680 5.532 4.549 6.591 . 0 0 "[ . 1 . 2]" 1
275 1 26 HIS QB 1 75 PHE QE . . 7.150 2.954 2.405 4.223 . 0 0 "[ . 1 . 2]" 1
276 1 26 HIS HB2 1 27 GLU H . . 3.900 3.282 2.525 3.932 0.032 9 0 "[ . 1 . 2]" 1
277 1 26 HIS HB2 1 75 PHE QE . . 7.500 3.501 2.666 5.085 . 0 0 "[ . 1 . 2]" 1
278 1 26 HIS HB2 1 75 PHE HZ . . 4.300 2.761 2.115 4.221 . 0 0 "[ . 1 . 2]" 1
279 1 26 HIS HB3 1 27 GLU H . . 3.900 2.886 2.236 3.932 0.032 19 0 "[ . 1 . 2]" 1
280 1 26 HIS HB3 1 75 PHE QE . . 7.500 3.235 2.580 4.513 . 0 0 "[ . 1 . 2]" 1
281 1 26 HIS HB3 1 75 PHE HZ . . 4.300 3.042 2.254 3.578 . 0 0 "[ . 1 . 2]" 1
282 1 26 HIS HD2 1 35 ASP HB2 . . 5.700 3.743 2.662 5.379 . 0 0 "[ . 1 . 2]" 1
283 1 26 HIS HD2 1 35 ASP QB . . 5.340 3.574 2.616 4.843 . 0 0 "[ . 1 . 2]" 1
284 1 26 HIS HD2 1 35 ASP HB3 . . 5.700 4.675 3.761 5.833 0.133 19 0 "[ . 1 . 2]" 1
285 1 26 HIS HD2 1 75 PHE HZ . . 3.200 2.934 2.146 3.299 0.099 3 0 "[ . 1 . 2]" 1
286 1 26 HIS N 1 33 TYR O . . 3.300 2.822 2.762 2.883 . 0 0 "[ . 1 . 2]" 1
287 1 26 HIS O 1 33 TYR H . . 2.400 1.771 1.742 1.808 . 0 0 "[ . 1 . 2]" 1
288 1 26 HIS O 1 33 TYR N . . 3.300 2.771 2.729 2.822 . 0 0 "[ . 1 . 2]" 1
289 1 27 GLU H 1 27 GLU HB2 . . 2.800 2.710 2.390 2.917 0.117 4 0 "[ . 1 . 2]" 1
290 1 27 GLU H 1 27 GLU QG . . 4.680 2.384 2.106 2.937 . 0 0 "[ . 1 . 2]" 1
291 1 27 GLU H 1 33 TYR QE . . 8.000 7.061 6.552 7.197 . 0 0 "[ . 1 . 2]" 1
292 1 27 GLU HA 1 27 GLU HB3 . . 2.600 2.337 2.178 2.492 . 0 0 "[ . 1 . 2]" 1
293 1 27 GLU HA 1 27 GLU HG2 . . 3.900 3.017 2.449 3.920 0.020 4 0 "[ . 1 . 2]" 1
294 1 27 GLU HA 1 27 GLU QG . . 3.700 2.670 2.410 3.045 . 0 0 "[ . 1 . 2]" 1
295 1 27 GLU HA 1 27 GLU HG3 . . 3.900 3.334 2.723 3.775 . 0 0 "[ . 1 . 2]" 1
296 1 27 GLU HA 1 28 GLY H . . 3.100 2.272 2.187 2.375 . 0 0 "[ . 1 . 2]" 1
297 1 27 GLU HA 1 32 TYR H . . 5.500 4.846 4.442 5.037 . 0 0 "[ . 1 . 2]" 1
298 1 27 GLU HA 1 32 TYR HA . . 2.400 2.115 1.995 2.257 . 0 0 "[ . 1 . 2]" 1
299 1 27 GLU HA 1 32 TYR HB3 . . 6.000 3.543 3.141 3.786 . 0 0 "[ . 1 . 2]" 1
300 1 27 GLU HA 1 33 TYR H . . 3.100 3.188 3.133 3.225 0.125 19 0 "[ . 1 . 2]" 1
301 1 27 GLU HA 1 33 TYR QE . . 8.000 5.529 4.959 6.126 . 0 0 "[ . 1 . 2]" 1
302 1 27 GLU HB2 1 27 GLU QG . . 2.650 2.343 2.197 2.429 . 0 0 "[ . 1 . 2]" 1
303 1 27 GLU HB2 1 28 GLY H . . 6.000 3.788 3.461 4.164 . 0 0 "[ . 1 . 2]" 1
304 1 27 GLU HB2 1 28 GLY QA . . 5.280 4.290 3.996 4.604 . 0 0 "[ . 1 . 2]" 1
305 1 27 GLU HB2 1 33 TYR QE . . 8.000 6.820 6.510 7.111 . 0 0 "[ . 1 . 2]" 1
306 1 27 GLU HB3 1 27 GLU QG . . 2.750 2.357 2.144 2.509 . 0 0 "[ . 1 . 2]" 1
307 1 27 GLU HB3 1 28 GLY H . . 4.700 2.975 2.359 3.479 . 0 0 "[ . 1 . 2]" 1
308 1 27 GLU HB3 1 32 TYR HB3 . . 5.600 5.565 4.884 5.708 0.108 3 0 "[ . 1 . 2]" 1
309 1 27 GLU HB3 1 32 TYR QR . . 8.400 3.249 2.443 4.561 . 0 0 "[ . 1 . 2]" 1
310 1 27 GLU HG2 1 28 GLY H . . 6.000 4.842 4.350 5.606 . 0 0 "[ . 1 . 2]" 1
311 1 27 GLU HG2 1 32 TYR QR . . 8.400 2.836 2.193 3.604 . 0 0 "[ . 1 . 2]" 1
312 1 27 GLU HG3 1 28 GLY H . . 6.000 5.155 4.717 5.377 . 0 0 "[ . 1 . 2]" 1
313 1 27 GLU HG3 1 32 TYR QR . . 8.400 3.564 2.133 4.219 . 0 0 "[ . 1 . 2]" 1
314 1 28 GLY H 1 31 GLN O . . 2.400 2.004 1.800 2.745 0.345 10 0 "[ . 1 . 2]" 1
315 1 28 GLY H 1 32 TYR HA . . 2.400 2.427 2.079 2.512 0.112 15 0 "[ . 1 . 2]" 1
316 1 28 GLY H 1 33 TYR H . . 6.000 3.923 3.387 4.280 . 0 0 "[ . 1 . 2]" 1
317 1 28 GLY H 1 33 TYR QD . . 8.000 3.553 2.406 4.718 . 0 0 "[ . 1 . 2]" 1
318 1 28 GLY QA 1 29 GLU H . . 2.690 2.226 2.156 2.324 . 0 0 "[ . 1 . 2]" 1
319 1 28 GLY QA 1 33 TYR QD . . 6.080 2.813 2.439 3.389 . 0 0 "[ . 1 . 2]" 1
320 1 28 GLY QA 1 33 TYR QE . . 8.880 2.272 2.101 2.796 . 0 0 "[ . 1 . 2]" 1
321 1 28 GLY QA 1 70 LYS QD . . 7.880 5.853 4.907 6.290 . 0 0 "[ . 1 . 2]" 1
322 1 28 GLY QA 1 74 PHE QE . . 6.340 2.267 2.001 2.828 . 0 0 "[ . 1 . 2]" 1
323 1 28 GLY QA 1 74 PHE HZ . . 3.480 3.033 2.509 3.166 . 0 0 "[ . 1 . 2]" 1
324 1 28 GLY HA2 1 29 GLU H . . 3.200 2.897 2.590 3.185 . 0 0 "[ . 1 . 2]" 1
325 1 28 GLY HA2 1 74 PHE QE . . 6.500 2.480 2.250 2.864 . 0 0 "[ . 1 . 2]" 1
326 1 28 GLY HA3 1 29 GLU H . . 3.200 2.343 2.202 2.629 . 0 0 "[ . 1 . 2]" 1
327 1 28 GLY HA3 1 74 PHE QE . . 6.500 3.147 2.204 4.386 . 0 0 "[ . 1 . 2]" 1
328 1 28 GLY N 1 31 GLN O . . 3.300 2.860 2.718 3.115 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLU H 1 29 GLU HA . . 2.900 2.774 2.714 2.807 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLU H 1 29 GLU HB2 . . 3.200 2.499 2.405 2.608 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLU H 1 29 GLU HB3 . . 3.400 3.466 3.456 3.478 0.078 3 0 "[ . 1 . 2]" 1
332 1 29 GLU H 1 30 ASP H . . 3.100 2.927 2.799 3.117 0.017 4 0 "[ . 1 . 2]" 1
333 1 29 GLU H 1 33 TYR QD . . 8.000 4.826 4.350 5.395 . 0 0 "[ . 1 . 2]" 1
334 1 29 GLU H 1 74 PHE QE . . 8.000 4.056 3.747 4.563 . 0 0 "[ . 1 . 2]" 1
335 1 29 GLU H 1 74 PHE HZ . . 6.000 3.413 2.966 3.772 . 0 0 "[ . 1 . 2]" 1
336 1 29 GLU HA 1 29 GLU HB3 . . 2.800 2.438 2.398 2.489 . 0 0 "[ . 1 . 2]" 1
337 1 29 GLU HA 1 29 GLU HG2 . . 3.700 3.557 3.517 3.589 . 0 0 "[ . 1 . 2]" 1
338 1 29 GLU HA 1 29 GLU QG . . 3.490 2.421 2.363 2.498 . 0 0 "[ . 1 . 2]" 1
339 1 29 GLU HA 1 29 GLU HG3 . . 3.700 2.464 2.398 2.550 . 0 0 "[ . 1 . 2]" 1
340 1 29 GLU HA 1 30 ASP HA . . 5.300 4.735 4.687 4.844 . 0 0 "[ . 1 . 2]" 1
341 1 29 GLU HB2 1 30 ASP H . . 3.100 2.058 1.989 2.186 . 0 0 "[ . 1 . 2]" 1
342 1 29 GLU HB2 1 30 ASP HA . . 5.700 4.594 4.131 4.807 . 0 0 "[ . 1 . 2]" 1
343 1 29 GLU HB2 1 74 PHE HZ . . 6.000 5.269 4.987 5.718 . 0 0 "[ . 1 . 2]" 1
344 1 29 GLU HB3 1 30 ASP H . . 3.100 3.136 3.099 3.213 0.113 12 0 "[ . 1 . 2]" 1
345 1 29 GLU HB3 1 30 ASP HA . . 5.500 4.714 4.261 5.078 . 0 0 "[ . 1 . 2]" 1
346 1 29 GLU QG 1 30 ASP H . . 6.280 4.102 4.005 4.206 . 0 0 "[ . 1 . 2]" 1
347 1 30 ASP H 1 30 ASP HB2 . . 3.000 3.036 2.810 3.254 0.254 12 0 "[ . 1 . 2]" 1
348 1 30 ASP H 1 30 ASP HB3 . . 3.400 2.451 2.303 2.899 . 0 0 "[ . 1 . 2]" 1
349 1 30 ASP H 1 31 GLN H . . 2.400 2.331 1.996 2.459 0.059 4 0 "[ . 1 . 2]" 1
350 1 30 ASP H 1 33 TYR QD . . 8.000 6.231 5.536 6.994 . 0 0 "[ . 1 . 2]" 1
351 1 30 ASP HB3 1 31 GLN H . . 4.800 2.306 1.971 4.154 . 0 0 "[ . 1 . 2]" 1
352 1 31 GLN H 1 31 GLN QE . . 6.870 4.616 3.837 5.489 . 0 0 "[ . 1 . 2]" 1
353 1 31 GLN H 1 31 GLN HG2 . . 4.500 2.708 1.987 4.498 . 0 0 "[ . 1 . 2]" 1
354 1 31 GLN H 1 31 GLN HG3 . . 4.300 3.181 2.220 4.441 0.141 20 0 "[ . 1 . 2]" 1
355 1 31 GLN HA 1 31 GLN HB2 . . 3.000 2.467 2.326 2.568 . 0 0 "[ . 1 . 2]" 1
356 1 31 GLN HA 1 31 GLN QB . . 2.720 2.205 2.125 2.375 . 0 0 "[ . 1 . 2]" 1
357 1 31 GLN HA 1 31 GLN HB3 . . 3.000 2.554 2.301 3.057 0.057 20 0 "[ . 1 . 2]" 1
358 1 31 GLN HA 1 32 TYR H . . 3.200 2.500 2.213 3.021 . 0 0 "[ . 1 . 2]" 1
359 1 31 GLN HA 1 32 TYR HB3 . . 6.000 5.820 5.550 6.043 0.043 7 0 "[ . 1 . 2]" 1
360 1 31 GLN QE 1 32 TYR H . . 6.870 4.306 2.129 5.826 . 0 0 "[ . 1 . 2]" 1
361 1 31 GLN HG2 1 33 TYR QD . . 7.800 4.769 2.888 5.770 . 0 0 "[ . 1 . 2]" 1
362 1 31 GLN HG3 1 32 TYR H . . 6.000 3.290 2.195 4.054 . 0 0 "[ . 1 . 2]" 1
363 1 31 GLN HG3 1 32 TYR HA . . 6.000 4.482 3.809 5.331 . 0 0 "[ . 1 . 2]" 1
364 1 31 GLN HG3 1 33 TYR HA . . 5.300 5.086 4.384 5.390 0.090 10 0 "[ . 1 . 2]" 1
365 1 31 GLN HG3 1 33 TYR QD . . 8.000 3.870 3.003 5.010 . 0 0 "[ . 1 . 2]" 1
366 1 31 GLN HG3 1 33 TYR QE . . 8.000 2.836 2.138 4.246 . 0 0 "[ . 1 . 2]" 1
367 1 32 TYR H 1 33 TYR H . . 4.800 4.516 4.328 4.590 . 0 0 "[ . 1 . 2]" 1
368 1 32 TYR H 1 33 TYR QE . . 8.000 5.098 4.428 5.597 . 0 0 "[ . 1 . 2]" 1
369 1 32 TYR HA 1 32 TYR HB3 . . 2.800 2.471 2.326 2.589 . 0 0 "[ . 1 . 2]" 1
370 1 32 TYR HA 1 33 TYR H . . 2.400 2.308 2.162 2.406 0.006 11 0 "[ . 1 . 2]" 1
371 1 32 TYR HA 1 33 TYR QD . . 8.000 3.609 2.598 4.699 . 0 0 "[ . 1 . 2]" 1
372 1 32 TYR HB3 1 33 TYR H . . 3.100 2.455 2.218 2.813 . 0 0 "[ . 1 . 2]" 1
373 1 32 TYR HB3 1 33 TYR QE . . 7.200 6.390 6.005 6.541 . 0 0 "[ . 1 . 2]" 1
374 1 33 TYR H 1 33 TYR HB2 . . 3.500 2.666 2.481 2.783 . 0 0 "[ . 1 . 2]" 1
375 1 33 TYR H 1 33 TYR HB3 . . 3.800 3.796 3.689 3.842 0.042 15 0 "[ . 1 . 2]" 1
376 1 33 TYR H 1 34 ILE H . . 4.700 4.365 4.313 4.408 . 0 0 "[ . 1 . 2]" 1
377 1 33 TYR H 1 75 PHE HZ . . 6.000 4.964 4.021 6.067 0.067 4 0 "[ . 1 . 2]" 1
378 1 33 TYR HA 1 34 ILE H . . 2.600 2.475 2.378 2.538 . 0 0 "[ . 1 . 2]" 1
379 1 33 TYR HB2 1 34 ILE H . . 3.200 3.288 3.255 3.317 0.117 1 0 "[ . 1 . 2]" 1
380 1 33 TYR HB2 1 75 PHE QE . . 5.400 3.223 2.504 3.720 . 0 0 "[ . 1 . 2]" 1
381 1 33 TYR HB2 1 75 PHE HZ . . 4.300 3.196 2.263 4.424 0.124 19 0 "[ . 1 . 2]" 1
382 1 33 TYR HB3 1 34 ILE H . . 4.000 2.158 2.107 2.227 . 0 0 "[ . 1 . 2]" 1
383 1 33 TYR HB3 1 75 PHE QE . . 6.100 3.055 2.506 3.615 . 0 0 "[ . 1 . 2]" 1
384 1 33 TYR HB3 1 75 PHE HZ . . 5.400 4.125 3.093 5.318 . 0 0 "[ . 1 . 2]" 1
385 1 33 TYR QD 1 70 LYS HB3 . . 8.000 4.554 3.781 5.380 . 0 0 "[ . 1 . 2]" 1
386 1 33 TYR QD 1 70 LYS QE . . 8.200 5.119 3.922 5.891 . 0 0 "[ . 1 . 2]" 1
387 1 33 TYR QD 1 70 LYS HG2 . . 7.300 4.293 3.672 5.107 . 0 0 "[ . 1 . 2]" 1
388 1 33 TYR QD 1 70 LYS HG3 . . 7.900 5.896 5.355 6.595 . 0 0 "[ . 1 . 2]" 1
389 1 33 TYR QD 1 71 ASN H . . 8.000 4.301 3.446 5.250 . 0 0 "[ . 1 . 2]" 1
390 1 33 TYR QD 1 71 ASN HA . . 7.200 3.060 2.237 3.994 . 0 0 "[ . 1 . 2]" 1
391 1 33 TYR QD 1 74 PHE H . . 8.000 5.440 4.921 5.968 . 0 0 "[ . 1 . 2]" 1
392 1 33 TYR QD 1 74 PHE QB . . 8.880 3.653 2.895 4.202 . 0 0 "[ . 1 . 2]" 1
393 1 33 TYR QD 1 74 PHE QD . . 10.000 3.141 2.745 3.817 . 0 0 "[ . 1 . 2]" 1
394 1 33 TYR QD 1 74 PHE QE . . 9.900 3.242 2.884 3.838 . 0 0 "[ . 1 . 2]" 1
395 1 33 TYR QD 1 74 PHE HZ . . 8.000 4.556 3.853 4.884 . 0 0 "[ . 1 . 2]" 1
396 1 33 TYR QD 1 75 PHE QE . . 10.000 4.208 3.207 4.849 . 0 0 "[ . 1 . 2]" 1
397 1 33 TYR QE 1 71 ASN HA . . 8.000 4.617 4.043 5.096 . 0 0 "[ . 1 . 2]" 1
398 1 33 TYR QE 1 74 PHE QB . . 7.880 4.881 4.027 5.604 . 0 0 "[ . 1 . 2]" 1
399 1 33 TYR QE 1 75 PHE QE . . 10.000 6.113 5.428 6.824 . 0 0 "[ . 1 . 2]" 1
400 1 33 TYR HH 1 67 TYR QD . . 6.900 5.317 4.262 5.745 . 0 0 "[ . 1 . 2]" 1
401 1 33 TYR HH 1 67 TYR QE . . 7.400 4.872 2.755 5.939 . 0 0 "[ . 1 . 2]" 1
402 1 33 TYR HH 1 71 ASN QD . . 7.000 5.694 4.849 6.230 . 0 0 "[ . 1 . 2]" 1
403 1 34 ILE H 1 34 ILE HB . . 2.700 2.650 2.532 2.739 0.039 20 0 "[ . 1 . 2]" 1
404 1 34 ILE H 1 75 PHE QE . . 7.900 3.654 3.017 4.418 . 0 0 "[ . 1 . 2]" 1
405 1 34 ILE HA 1 35 ASP H . . 2.400 2.351 2.150 2.443 0.043 8 0 "[ . 1 . 2]" 1
406 1 34 ILE HA 1 75 PHE QE . . 8.000 4.218 3.856 4.793 . 0 0 "[ . 1 . 2]" 1
407 1 34 ILE HB 1 35 ASP H . . 5.200 4.141 3.848 4.330 . 0 0 "[ . 1 . 2]" 1
408 1 34 ILE MG 1 39 CYS HB2 . . 3.000 2.537 2.466 2.597 . 0 0 "[ . 1 . 2]" 1
409 1 35 ASP H 1 35 ASP HA . . 2.800 2.903 2.811 2.937 0.137 19 0 "[ . 1 . 2]" 1
410 1 35 ASP H 1 35 ASP HB2 . . 3.600 2.801 2.437 3.213 . 0 0 "[ . 1 . 2]" 1
411 1 35 ASP H 1 35 ASP QB . . 3.060 2.396 2.265 2.561 . 0 0 "[ . 1 . 2]" 1
412 1 35 ASP H 1 35 ASP HB3 . . 3.600 2.676 2.416 3.550 . 0 0 "[ . 1 . 2]" 1
413 1 35 ASP H 1 75 PHE QE . . 7.900 3.943 3.279 4.301 . 0 0 "[ . 1 . 2]" 1
414 1 35 ASP H 1 75 PHE HZ . . 5.700 4.895 3.091 5.712 0.012 6 0 "[ . 1 . 2]" 1
415 1 35 ASP HA 1 36 PRO QD . . 3.250 2.099 2.043 2.211 . 0 0 "[ . 1 . 2]" 1
416 1 35 ASP HA 1 36 PRO HG2 . . 6.000 4.558 4.256 4.873 . 0 0 "[ . 1 . 2]" 1
417 1 35 ASP HA 1 36 PRO HG3 . . 6.000 4.488 4.111 4.650 . 0 0 "[ . 1 . 2]" 1
418 1 35 ASP HA 1 37 ASP H . . 3.800 3.739 3.538 3.885 0.085 17 0 "[ . 1 . 2]" 1
419 1 35 ASP HA 1 75 PHE QD . . 5.500 2.575 2.234 3.751 . 0 0 "[ . 1 . 2]" 1
420 1 35 ASP HA 1 75 PHE QE . . 5.700 3.213 2.659 3.990 . 0 0 "[ . 1 . 2]" 1
421 1 35 ASP HA 1 75 PHE HZ . . 6.000 5.152 4.402 5.879 . 0 0 "[ . 1 . 2]" 1
422 1 35 ASP QB 1 36 PRO QD . . 6.290 3.739 3.639 3.863 . 0 0 "[ . 1 . 2]" 1
423 1 35 ASP QB 1 37 ASP HB2 . . 6.880 4.838 4.289 5.671 . 0 0 "[ . 1 . 2]" 1
424 1 35 ASP QB 1 38 VAL HB . . 5.180 2.239 1.965 2.425 . 0 0 "[ . 1 . 2]" 1
425 1 35 ASP QB 1 38 VAL MG2 . . 4.570 2.763 2.394 2.978 . 0 0 "[ . 1 . 2]" 1
426 1 35 ASP QB 1 75 PHE QB . . 6.850 3.182 2.634 3.619 . 0 0 "[ . 1 . 2]" 1
427 1 35 ASP QB 1 75 PHE QD . . 8.480 2.898 2.405 3.813 . 0 0 "[ . 1 . 2]" 1
428 1 35 ASP HB2 1 36 PRO HD2 . . 7.750 4.576 4.228 5.289 . 0 0 "[ . 1 . 2]" 1
429 1 35 ASP HB2 1 36 PRO HD3 . . 7.750 4.785 4.458 5.210 . 0 0 "[ . 1 . 2]" 1
430 1 35 ASP HB2 1 38 VAL MG2 . . 4.800 3.676 3.114 3.864 . 0 0 "[ . 1 . 2]" 1
431 1 35 ASP HB2 1 75 PHE QE . . 8.000 3.718 2.866 5.623 . 0 0 "[ . 1 . 2]" 1
432 1 35 ASP HB3 1 36 PRO HD2 . . 7.750 4.715 4.230 5.229 . 0 0 "[ . 1 . 2]" 1
433 1 35 ASP HB3 1 36 PRO HD3 . . 7.750 4.985 4.442 5.301 . 0 0 "[ . 1 . 2]" 1
434 1 35 ASP HB3 1 38 VAL MG2 . . 4.800 2.861 2.438 3.102 . 0 0 "[ . 1 . 2]" 1
435 1 35 ASP HB3 1 75 PHE QE . . 8.000 4.785 3.860 5.423 . 0 0 "[ . 1 . 2]" 1
436 1 35 ASP O 1 39 CYS H . . 2.400 2.008 1.846 2.238 . 0 0 "[ . 1 . 2]" 1
437 1 35 ASP O 1 39 CYS N . . 3.300 2.999 2.840 3.189 . 0 0 "[ . 1 . 2]" 1
438 1 36 PRO HA 1 38 VAL H . . 5.300 4.172 3.666 4.462 . 0 0 "[ . 1 . 2]" 1
439 1 36 PRO HA 1 39 CYS H . . 3.400 3.174 2.912 3.434 0.034 17 0 "[ . 1 . 2]" 1
440 1 36 PRO HA 1 39 CYS HB2 . . 3.000 3.038 2.947 3.100 0.100 17 0 "[ . 1 . 2]" 1
441 1 36 PRO HB2 1 72 ARG QD . . 6.880 5.094 3.775 5.931 . 0 0 "[ . 1 . 2]" 1
442 1 36 PRO HB2 1 72 ARG HE . . 6.000 4.199 3.500 5.293 . 0 0 "[ . 1 . 2]" 1
443 1 36 PRO QD 1 72 ARG HA . . 4.480 2.808 2.564 3.111 . 0 0 "[ . 1 . 2]" 1
444 1 36 PRO QD 1 72 ARG HG3 . . 5.080 2.955 2.417 3.939 . 0 0 "[ . 1 . 2]" 1
445 1 36 PRO QD 1 75 PHE QD . . 7.800 3.404 2.429 4.774 . 0 0 "[ . 1 . 2]" 1
446 1 36 PRO QD 1 76 LYS QD . . 7.880 6.091 5.504 6.302 . 0 0 "[ . 1 . 2]" 1
447 1 36 PRO HD2 1 75 PHE QD . . 8.000 3.823 3.209 5.068 . 0 0 "[ . 1 . 2]" 1
448 1 36 PRO HD2 1 75 PHE QE . . 8.000 5.070 4.562 5.671 . 0 0 "[ . 1 . 2]" 1
449 1 36 PRO HD3 1 75 PHE QD . . 8.000 3.948 2.482 5.829 . 0 0 "[ . 1 . 2]" 1
450 1 36 PRO HD3 1 75 PHE QE . . 8.000 4.386 3.580 5.567 . 0 0 "[ . 1 . 2]" 1
451 1 36 PRO QG 1 37 ASP H . . 5.060 3.384 2.606 4.279 . 0 0 "[ . 1 . 2]" 1
452 1 36 PRO QG 1 37 ASP HB2 . . 6.180 4.333 3.330 5.356 . 0 0 "[ . 1 . 2]" 1
453 1 36 PRO QG 1 72 ARG HG3 . . 5.500 2.383 2.033 3.075 . 0 0 "[ . 1 . 2]" 1
454 1 36 PRO HG2 1 72 ARG HA . . 4.700 3.744 2.751 4.234 . 0 0 "[ . 1 . 2]" 1
455 1 36 PRO HG2 1 72 ARG HG3 . . 6.000 2.511 2.144 3.157 . 0 0 "[ . 1 . 2]" 1
456 1 36 PRO HG3 1 72 ARG HA . . 4.700 4.212 3.286 4.765 0.065 8 0 "[ . 1 . 2]" 1
457 1 36 PRO HG3 1 72 ARG HG3 . . 6.000 3.284 2.250 4.516 . 0 0 "[ . 1 . 2]" 1
458 1 37 ASP H 1 37 ASP HB2 . . 3.000 2.240 2.001 3.063 0.063 17 0 "[ . 1 . 2]" 1
459 1 37 ASP H 1 37 ASP HB3 . . 3.100 3.138 2.458 3.397 0.297 3 0 "[ . 1 . 2]" 1
460 1 37 ASP H 1 38 VAL H . . 3.600 2.109 1.915 2.424 . 0 0 "[ . 1 . 2]" 1
461 1 37 ASP H 1 38 VAL MG2 . . 7.000 3.981 3.801 4.306 . 0 0 "[ . 1 . 2]" 1
462 1 37 ASP HA 1 37 ASP HB2 . . 2.700 2.823 2.529 2.931 0.231 20 0 "[ . 1 . 2]" 1
463 1 37 ASP HB2 1 38 VAL H . . 3.900 3.131 2.492 3.767 . 0 0 "[ . 1 . 2]" 1
464 1 37 ASP HB2 1 38 VAL MG2 . . 7.000 3.977 3.151 4.994 . 0 0 "[ . 1 . 2]" 1
465 1 37 ASP HB3 1 38 VAL H . . 4.000 3.381 2.158 3.987 . 0 0 "[ . 1 . 2]" 1
466 1 37 ASP HB3 1 38 VAL MG2 . . 5.500 3.883 2.838 4.446 . 0 0 "[ . 1 . 2]" 1
467 1 38 VAL H 1 38 VAL HB . . 2.800 2.323 2.229 2.411 . 0 0 "[ . 1 . 2]" 1
468 1 38 VAL H 1 38 VAL MG2 . . 3.800 2.508 2.364 2.709 . 0 0 "[ . 1 . 2]" 1
469 1 38 VAL H 1 39 CYS H . . 2.500 2.501 2.222 2.605 0.105 9 0 "[ . 1 . 2]" 1
470 1 38 VAL HA 1 38 VAL MG1 . . 3.400 2.479 2.427 2.522 . 0 0 "[ . 1 . 2]" 1
471 1 38 VAL HA 1 38 VAL MG2 . . 3.400 2.314 2.207 2.368 . 0 0 "[ . 1 . 2]" 1
472 1 38 VAL HB 1 39 CYS H . . 3.200 2.623 2.502 2.805 . 0 0 "[ . 1 . 2]" 1
473 1 38 VAL MG1 1 39 CYS HB2 . . 5.100 4.300 4.267 4.330 . 0 0 "[ . 1 . 2]" 1
474 1 38 VAL MG2 1 39 CYS H . . 7.000 4.001 3.932 4.094 . 0 0 "[ . 1 . 2]" 1
475 1 39 CYS H 1 39 CYS HB2 . . 2.400 2.444 2.365 2.475 0.075 9 0 "[ . 1 . 2]" 1
476 1 39 CYS SG 1 41 ASP H . . 2.700 2.807 2.527 3.131 0.431 2 0 "[ . 1 . 2]" 1
477 1 39 CYS SG 1 42 CYS SG . . 6.380 5.779 5.591 5.978 . 0 0 "[ . 1 . 2]" 1
478 1 39 CYS SG 1 45 CYS SG . . 6.380 5.844 5.654 6.039 . 0 0 "[ . 1 . 2]" 1
479 1 40 ILE HA 1 40 ILE HB . . 2.400 2.434 2.417 2.455 0.055 11 0 "[ . 1 . 2]" 1
480 1 40 ILE HA 1 41 ASP H . . 3.400 3.060 2.811 3.368 . 0 0 "[ . 1 . 2]" 1
481 1 40 ILE HB 1 41 ASP H . . 4.800 4.442 4.112 4.573 . 0 0 "[ . 1 . 2]" 1
482 1 40 ILE HB 1 41 ASP QB . . 6.880 4.815 4.632 4.976 . 0 0 "[ . 1 . 2]" 1
483 1 40 ILE HB 1 42 CYS HB3 . . 4.500 4.549 4.437 4.597 0.097 19 0 "[ . 1 . 2]" 1
484 1 40 ILE MD 1 41 ASP H . . 5.100 4.300 4.257 4.409 . 0 0 "[ . 1 . 2]" 1
485 1 40 ILE QG 1 41 ASP H . . 4.900 3.690 2.685 4.383 . 0 0 "[ . 1 . 2]" 1
486 1 40 ILE QG 1 42 CYS HB3 . . 3.100 2.330 2.116 2.563 . 0 0 "[ . 1 . 2]" 1
487 1 41 ASP H 1 41 ASP HB2 . . 4.100 3.341 2.846 3.583 . 0 0 "[ . 1 . 2]" 1
488 1 41 ASP H 1 41 ASP QB . . 3.810 3.187 2.759 3.382 . 0 0 "[ . 1 . 2]" 1
489 1 41 ASP H 1 41 ASP HB3 . . 4.100 4.035 3.703 4.151 0.051 17 0 "[ . 1 . 2]" 1
490 1 42 CYS HA 1 42 CYS HB3 . . 2.900 2.644 2.517 2.773 . 0 0 "[ . 1 . 2]" 1
491 1 42 CYS SG 1 45 CYS SG . . 6.380 5.560 5.396 5.788 . 0 0 "[ . 1 . 2]" 1
492 1 43 GLY QA 1 46 GLU H . . 5.090 3.687 3.229 4.657 . 0 0 "[ . 1 . 2]" 1
493 1 43 GLY HA2 1 46 GLU H . . 5.600 3.819 3.330 5.272 . 0 0 "[ . 1 . 2]" 1
494 1 43 GLY HA3 1 46 GLU H . . 5.600 4.971 4.340 5.656 0.056 9 0 "[ . 1 . 2]" 1
495 1 45 CYS HA 1 48 VAL QG . . 5.560 2.315 2.071 2.888 . 0 0 "[ . 1 . 2]" 1
496 1 45 CYS HB2 1 48 VAL QG . . 6.060 3.670 3.074 3.851 . 0 0 "[ . 1 . 2]" 1
497 1 45 CYS HB2 1 54 ILE MD . . 4.500 2.332 2.164 2.827 . 0 0 "[ . 1 . 2]" 1
498 1 45 CYS O 1 49 CYS H . . 2.400 2.043 1.811 3.428 1.028 19 2 "[ . 1 . +-]" 1
499 1 45 CYS O 1 49 CYS N . . 3.300 2.996 2.742 4.234 0.934 20 2 "[ . 1 . -+]" 1
500 1 46 GLU H 1 54 ILE HB . . 6.000 4.433 3.606 5.281 . 0 0 "[ . 1 . 2]" 1
501 1 46 GLU H 1 54 ILE MG . . 7.000 3.608 2.854 4.090 . 0 0 "[ . 1 . 2]" 1
502 1 46 GLU QB 1 47 ALA HA . . 4.800 4.015 3.419 4.355 . 0 0 "[ . 1 . 2]" 1
503 1 46 GLU QB 1 54 ILE MG . . 6.900 3.250 2.352 4.135 . 0 0 "[ . 1 . 2]" 1
504 1 47 ALA H 1 47 ALA MB . . 3.400 2.234 2.106 2.288 . 0 0 "[ . 1 . 2]" 1
505 1 47 ALA H 1 48 VAL H . . 3.000 2.705 2.366 2.923 . 0 0 "[ . 1 . 2]" 1
506 1 47 ALA MB 1 48 VAL H . . 3.600 2.659 2.457 2.902 . 0 0 "[ . 1 . 2]" 1
507 1 47 ALA MB 1 48 VAL HA . . 4.900 3.837 3.619 3.967 . 0 0 "[ . 1 . 2]" 1
508 1 47 ALA MB 1 48 VAL QG . . 8.060 3.279 2.637 3.969 . 0 0 "[ . 1 . 2]" 1
509 1 48 VAL H 1 48 VAL MG1 . . 4.100 2.627 2.304 2.924 . 0 0 "[ . 1 . 2]" 1
510 1 48 VAL H 1 48 VAL QG . . 3.630 2.328 1.899 2.770 . 0 0 "[ . 1 . 2]" 1
511 1 48 VAL H 1 48 VAL MG2 . . 4.100 2.748 2.016 3.540 . 0 0 "[ . 1 . 2]" 1
512 1 48 VAL H 1 49 CYS H . . 5.300 2.557 2.301 2.756 . 0 0 "[ . 1 . 2]" 1
513 1 48 VAL HA 1 48 VAL HB . . 2.600 2.521 2.360 2.715 0.115 13 0 "[ . 1 . 2]" 1
514 1 48 VAL QG 1 49 CYS HB2 . . 6.960 3.463 3.272 3.943 . 0 0 "[ . 1 . 2]" 1
515 1 49 CYS H 1 49 CYS HB2 . . 3.500 2.468 2.356 2.704 . 0 0 "[ . 1 . 2]" 1
516 1 49 CYS H 1 49 CYS HB3 . . 3.300 2.515 2.377 2.601 . 0 0 "[ . 1 . 2]" 1
517 1 49 CYS HB2 1 52 SER HA . . 3.800 3.824 3.739 3.863 0.063 6 0 "[ . 1 . 2]" 1
518 1 49 CYS HB2 1 53 ALA H . . 4.400 4.338 3.653 4.472 0.072 12 0 "[ . 1 . 2]" 1
519 1 49 CYS HB2 1 54 ILE H . . 4.400 3.714 3.480 4.257 . 0 0 "[ . 1 . 2]" 1
520 1 49 CYS HB2 1 54 ILE HB . . 3.800 3.397 3.186 3.821 0.021 13 0 "[ . 1 . 2]" 1
521 1 49 CYS HB2 1 54 ILE MD . . 4.600 2.324 2.059 2.651 . 0 0 "[ . 1 . 2]" 1
522 1 49 CYS HB2 1 54 ILE QG . . 4.900 3.160 2.349 3.985 . 0 0 "[ . 1 . 2]" 1
523 1 49 CYS HB2 1 54 ILE MG . . 5.400 4.508 4.398 4.582 . 0 0 "[ . 1 . 2]" 1
524 1 49 CYS HB3 1 52 SER H . . 4.400 3.238 2.719 3.606 . 0 0 "[ . 1 . 2]" 1
525 1 49 CYS HB3 1 52 SER HA . . 2.900 2.189 2.137 2.264 . 0 0 "[ . 1 . 2]" 1
526 1 49 CYS HB3 1 52 SER QB . . 5.180 3.965 3.708 4.160 . 0 0 "[ . 1 . 2]" 1
527 1 49 CYS HB3 1 53 ALA H . . 4.100 3.381 2.912 3.620 . 0 0 "[ . 1 . 2]" 1
528 1 49 CYS HB3 1 54 ILE H . . 4.100 3.297 2.979 3.821 . 0 0 "[ . 1 . 2]" 1
529 1 49 CYS HB3 1 54 ILE HB . . 4.100 3.387 3.129 4.127 0.027 13 0 "[ . 1 . 2]" 1
530 1 49 CYS SG 1 54 ILE H . . 2.700 2.935 2.541 4.240 1.540 13 5 "[ * . 1 + . -**]" 1
531 1 50 PRO HB2 1 51 VAL MG2 . . 3.900 2.912 2.580 3.197 . 0 0 "[ . 1 . 2]" 1
532 1 51 VAL HA 1 51 VAL MG1 . . 3.400 2.306 2.201 2.393 . 0 0 "[ . 1 . 2]" 1
533 1 51 VAL HA 1 51 VAL MG2 . . 3.400 2.538 2.283 2.635 . 0 0 "[ . 1 . 2]" 1
534 1 51 VAL MG1 1 52 SER H . . 6.200 4.307 4.008 4.425 . 0 0 "[ . 1 . 2]" 1
535 1 52 SER HA 1 52 SER HB2 . . 3.000 2.734 2.407 3.025 0.025 7 0 "[ . 1 . 2]" 1
536 1 52 SER HA 1 52 SER QB . . 2.570 2.283 2.161 2.351 . 0 0 "[ . 1 . 2]" 1
537 1 52 SER HA 1 52 SER HB3 . . 3.000 2.576 2.354 3.025 0.025 4 0 "[ . 1 . 2]" 1
538 1 52 SER HA 1 54 ILE H . . 3.900 3.089 2.834 3.266 . 0 0 "[ . 1 . 2]" 1
539 1 54 ILE H 1 54 ILE HB . . 3.500 2.372 2.200 2.504 . 0 0 "[ . 1 . 2]" 1
540 1 54 ILE HA 1 54 ILE MG . . 3.400 2.417 2.311 2.595 . 0 0 "[ . 1 . 2]" 1
541 1 54 ILE HA 1 55 TYR H . . 2.400 2.202 2.162 2.251 . 0 0 "[ . 1 . 2]" 1
542 1 54 ILE HA 1 55 TYR HB2 . . 4.500 4.464 4.329 4.555 0.055 13 0 "[ . 1 . 2]" 1
543 1 54 ILE HA 1 55 TYR QD . . 7.700 4.878 4.604 5.051 . 0 0 "[ . 1 . 2]" 1
544 1 55 TYR H 1 55 TYR HA . . 2.900 2.969 2.939 2.987 0.087 3 0 "[ . 1 . 2]" 1
545 1 55 TYR H 1 55 TYR HB2 . . 2.500 2.513 2.336 2.552 0.052 6 0 "[ . 1 . 2]" 1
546 1 55 TYR H 1 55 TYR HB3 . . 3.700 3.721 3.648 3.741 0.041 19 0 "[ . 1 . 2]" 1
547 1 55 TYR H 1 55 TYR QE . . 6.900 5.552 5.052 5.794 . 0 0 "[ . 1 . 2]" 1
548 1 55 TYR H 1 60 VAL MG2 . . 5.100 3.535 3.330 3.734 . 0 0 "[ . 1 . 2]" 1
549 1 55 TYR HA 1 55 TYR HB2 . . 2.900 2.983 2.975 2.989 0.089 12 0 "[ . 1 . 2]" 1
550 1 55 TYR HA 1 55 TYR HB3 . . 2.600 2.549 2.498 2.594 . 0 0 "[ . 1 . 2]" 1
551 1 55 TYR HA 1 56 HIS H . . 2.500 2.255 2.199 2.324 . 0 0 "[ . 1 . 2]" 1
552 1 55 TYR HA 1 56 HIS HB2 . . 5.100 4.322 4.254 4.437 . 0 0 "[ . 1 . 2]" 1
553 1 55 TYR HA 1 56 HIS QB . . 4.410 3.987 3.901 4.040 . 0 0 "[ . 1 . 2]" 1
554 1 55 TYR HA 1 56 HIS HB3 . . 5.100 4.685 4.419 4.821 . 0 0 "[ . 1 . 2]" 1
555 1 55 TYR HA 1 60 VAL MG2 . . 6.100 4.059 3.958 4.181 . 0 0 "[ . 1 . 2]" 1
556 1 55 TYR HB2 1 60 VAL HA . . 3.900 3.718 3.519 3.912 0.012 6 0 "[ . 1 . 2]" 1
557 1 55 TYR HB2 1 60 VAL MG2 . . 3.400 2.167 2.060 2.338 . 0 0 "[ . 1 . 2]" 1
558 1 55 TYR HB3 1 56 HIS H . . 3.400 2.726 2.604 2.945 . 0 0 "[ . 1 . 2]" 1
559 1 55 TYR HB3 1 56 HIS HA . . 5.100 4.779 4.694 4.905 . 0 0 "[ . 1 . 2]" 1
560 1 55 TYR HB3 1 59 PHE HB2 . . 4.900 2.922 2.330 3.648 . 0 0 "[ . 1 . 2]" 1
561 1 55 TYR HB3 1 60 VAL HA . . 3.800 3.499 3.176 3.654 . 0 0 "[ . 1 . 2]" 1
562 1 55 TYR HB3 1 60 VAL HB . . 6.000 4.659 4.342 4.918 . 0 0 "[ . 1 . 2]" 1
563 1 55 TYR HB3 1 60 VAL MG2 . . 4.900 2.361 2.250 2.600 . 0 0 "[ . 1 . 2]" 1
564 1 55 TYR QD 1 56 HIS H . . 8.000 3.449 3.256 3.854 . 0 0 "[ . 1 . 2]" 1
565 1 55 TYR QD 1 59 PHE HB2 . . 7.000 4.248 3.563 5.141 . 0 0 "[ . 1 . 2]" 1
566 1 55 TYR QD 1 59 PHE HB3 . . 6.700 4.147 3.046 5.286 . 0 0 "[ . 1 . 2]" 1
567 1 55 TYR QD 1 60 VAL HA . . 6.600 4.173 3.589 4.396 . 0 0 "[ . 1 . 2]" 1
568 1 55 TYR QD 1 60 VAL MG2 . . 6.300 3.296 2.780 3.543 . 0 0 "[ . 1 . 2]" 1
569 1 55 TYR QD 1 61 PRO HD2 . . 6.900 4.545 3.842 4.841 . 0 0 "[ . 1 . 2]" 1
570 1 55 TYR QD 1 61 PRO HD3 . . 7.100 4.556 3.829 4.953 . 0 0 "[ . 1 . 2]" 1
571 1 55 TYR QE 1 60 VAL HA . . 8.000 5.792 5.329 6.057 . 0 0 "[ . 1 . 2]" 1
572 1 55 TYR QE 1 61 PRO HD2 . . 7.500 5.850 5.419 6.061 . 0 0 "[ . 1 . 2]" 1
573 1 55 TYR QE 1 61 PRO HD3 . . 8.000 5.432 4.944 5.814 . 0 0 "[ . 1 . 2]" 1
574 1 55 TYR QE 1 61 PRO HG2 . . 8.000 6.786 6.106 7.161 . 0 0 "[ . 1 . 2]" 1
575 1 55 TYR QE 1 61 PRO HG3 . . 8.000 6.105 5.505 6.536 . 0 0 "[ . 1 . 2]" 1
576 1 55 TYR QE 1 64 TRP HE3 . . 7.200 4.940 4.342 5.190 . 0 0 "[ . 1 . 2]" 1
577 1 55 TYR QE 1 64 TRP HZ3 . . 5.400 4.079 3.489 4.436 . 0 0 "[ . 1 . 2]" 1
578 1 56 HIS H 1 56 HIS QB . . 3.380 2.184 2.079 2.223 . 0 0 "[ . 1 . 2]" 1
579 1 56 HIS H 1 59 PHE HB2 . . 2.800 2.781 2.399 2.840 0.040 6 0 "[ . 1 . 2]" 1
580 1 56 HIS H 1 59 PHE QD . . 8.000 2.953 2.299 3.963 . 0 0 "[ . 1 . 2]" 1
581 1 56 HIS HA 1 56 HIS HD2 . . 5.100 2.989 2.250 4.818 . 0 0 "[ . 1 . 2]" 1
582 1 56 HIS HA 1 56 HIS HE1 . . 5.700 5.411 5.118 5.773 0.073 11 0 "[ . 1 . 2]" 1
583 1 56 HIS HA 1 57 GLU H . . 2.500 2.293 2.238 2.377 . 0 0 "[ . 1 . 2]" 1
584 1 56 HIS QB 1 58 ASP H . . 4.680 3.427 2.961 3.813 . 0 0 "[ . 1 . 2]" 1
585 1 56 HIS QB 1 59 PHE H . . 4.050 2.822 2.494 3.075 . 0 0 "[ . 1 . 2]" 1
586 1 56 HIS QB 1 59 PHE HB2 . . 6.880 2.733 2.136 3.373 . 0 0 "[ . 1 . 2]" 1
587 1 56 HIS QB 1 59 PHE QD . . 6.750 3.011 2.809 3.375 . 0 0 "[ . 1 . 2]" 1
588 1 56 HIS HB2 1 59 PHE H . . 4.700 4.549 4.219 4.722 0.022 8 0 "[ . 1 . 2]" 1
589 1 56 HIS HB2 1 59 PHE HB3 . . 6.000 5.499 4.668 6.008 0.008 9 0 "[ . 1 . 2]" 1
590 1 56 HIS HB2 1 59 PHE QD . . 7.600 3.903 3.474 4.702 . 0 0 "[ . 1 . 2]" 1
591 1 56 HIS HB3 1 59 PHE H . . 4.700 2.850 2.512 3.116 . 0 0 "[ . 1 . 2]" 1
592 1 56 HIS HB3 1 59 PHE HB3 . . 6.000 4.169 3.514 4.853 . 0 0 "[ . 1 . 2]" 1
593 1 56 HIS HB3 1 59 PHE QD . . 7.600 3.140 2.903 3.562 . 0 0 "[ . 1 . 2]" 1
594 1 56 HIS HD2 1 57 GLU H . . 6.000 3.689 2.100 5.525 . 0 0 "[ . 1 . 2]" 1
595 1 56 HIS HE1 1 57 GLU QB . . 5.380 4.391 3.380 4.832 . 0 0 "[ . 1 . 2]" 1
596 1 56 HIS HE1 1 57 GLU QG . . 6.380 3.690 2.662 5.632 . 0 0 "[ . 1 . 2]" 1
597 1 56 HIS HE1 1 58 ASP H . . 4.900 3.416 2.964 3.798 . 0 0 "[ . 1 . 2]" 1
598 1 56 HIS HE1 1 58 ASP HB2 . . 3.600 3.200 2.852 3.638 0.038 18 0 "[ . 1 . 2]" 1
599 1 56 HIS HE1 1 58 ASP HB3 . . 6.000 3.869 3.088 4.902 . 0 0 "[ . 1 . 2]" 1
600 1 56 HIS O 1 60 VAL H . . 2.400 1.837 1.810 1.879 . 0 0 "[ . 1 . 2]" 1
601 1 56 HIS O 1 60 VAL N . . 3.300 2.793 2.736 2.841 . 0 0 "[ . 1 . 2]" 1
602 1 57 GLU H 1 57 GLU HB2 . . 3.400 3.107 2.390 3.497 0.097 4 0 "[ . 1 . 2]" 1
603 1 57 GLU H 1 57 GLU QB . . 3.080 2.364 2.133 2.613 . 0 0 "[ . 1 . 2]" 1
604 1 57 GLU H 1 57 GLU HB3 . . 3.400 2.682 2.203 3.510 0.110 7 0 "[ . 1 . 2]" 1
605 1 57 GLU H 1 57 GLU QG . . 4.680 2.454 1.818 4.020 . 0 0 "[ . 1 . 2]" 1
606 1 57 GLU H 1 58 ASP H . . 3.600 2.989 2.838 3.137 . 0 0 "[ . 1 . 2]" 1
607 1 57 GLU HA 1 57 GLU HB2 . . 3.000 2.588 2.241 3.063 0.063 20 0 "[ . 1 . 2]" 1
608 1 57 GLU HA 1 57 GLU QB . . 2.720 2.241 2.108 2.428 . 0 0 "[ . 1 . 2]" 1
609 1 57 GLU HA 1 57 GLU HB3 . . 3.000 2.542 2.316 3.032 0.032 11 0 "[ . 1 . 2]" 1
610 1 57 GLU HA 1 60 VAL H . . 4.300 3.605 3.211 3.773 . 0 0 "[ . 1 . 2]" 1
611 1 57 GLU HA 1 60 VAL HB . . 2.400 2.396 2.162 2.548 0.148 20 0 "[ . 1 . 2]" 1
612 1 57 GLU HA 1 65 LYS QD . . 7.000 5.515 4.281 6.215 . 0 0 "[ . 1 . 2]" 1
613 1 57 GLU HA 1 68 ILE MD . . 6.300 3.495 2.549 4.041 . 0 0 "[ . 1 . 2]" 1
614 1 57 GLU HA 1 68 ILE QG . . 6.680 2.377 2.161 2.993 . 0 0 "[ . 1 . 2]" 1
615 1 57 GLU QB 1 57 GLU QG . . 2.480 2.044 1.979 2.071 . 0 0 "[ . 1 . 2]" 1
616 1 57 GLU QB 1 58 ASP H . . 4.190 3.257 2.497 3.752 . 0 0 "[ . 1 . 2]" 1
617 1 57 GLU QB 1 60 VAL MG1 . . 7.180 4.450 3.794 5.054 . 0 0 "[ . 1 . 2]" 1
618 1 57 GLU QB 1 68 ILE QG . . 5.250 2.786 2.229 3.604 . 0 0 "[ . 1 . 2]" 1
619 1 57 GLU QB 1 68 ILE MG . . 4.560 2.301 1.942 2.986 . 0 0 "[ . 1 . 2]" 1
620 1 57 GLU HB2 1 58 ASP H . . 4.800 3.663 2.539 4.285 . 0 0 "[ . 1 . 2]" 1
621 1 57 GLU HB2 1 68 ILE MG . . 5.200 2.718 2.057 4.275 . 0 0 "[ . 1 . 2]" 1
622 1 57 GLU HB3 1 58 ASP H . . 4.800 3.885 2.708 4.418 . 0 0 "[ . 1 . 2]" 1
623 1 57 GLU HB3 1 68 ILE MG . . 5.200 2.917 2.183 4.334 . 0 0 "[ . 1 . 2]" 1
624 1 57 GLU QG 1 58 ASP H . . 4.680 3.136 2.448 4.194 . 0 0 "[ . 1 . 2]" 1
625 1 57 GLU QG 1 68 ILE MG . . 6.980 3.284 2.044 4.006 . 0 0 "[ . 1 . 2]" 1
626 1 58 ASP H 1 58 ASP HA . . 2.900 2.904 2.847 2.953 0.053 1 0 "[ . 1 . 2]" 1
627 1 58 ASP H 1 58 ASP HB2 . . 2.600 2.570 2.143 2.650 0.050 12 0 "[ . 1 . 2]" 1
628 1 58 ASP H 1 58 ASP HB3 . . 3.100 2.573 2.434 3.194 0.094 8 0 "[ . 1 . 2]" 1
629 1 58 ASP H 1 59 PHE H . . 3.000 2.491 2.102 2.751 . 0 0 "[ . 1 . 2]" 1
630 1 58 ASP H 1 59 PHE QD . . 8.000 4.543 4.236 5.280 . 0 0 "[ . 1 . 2]" 1
631 1 58 ASP H 1 60 VAL H . . 3.600 3.655 3.509 3.700 0.100 10 0 "[ . 1 . 2]" 1
632 1 58 ASP HA 1 58 ASP HB2 . . 3.000 2.519 2.454 2.974 . 0 0 "[ . 1 . 2]" 1
633 1 58 ASP HB2 1 59 PHE H . . 4.300 3.817 3.570 4.073 . 0 0 "[ . 1 . 2]" 1
634 1 58 ASP HB2 1 59 PHE QD . . 8.000 4.595 4.342 5.784 . 0 0 "[ . 1 . 2]" 1
635 1 58 ASP HB3 1 59 PHE H . . 4.800 2.616 2.256 3.671 . 0 0 "[ . 1 . 2]" 1
636 1 58 ASP HB3 1 59 PHE QD . . 8.000 3.032 2.717 5.232 . 0 0 "[ . 1 . 2]" 1
637 1 59 PHE H 1 59 PHE HB2 . . 3.200 2.257 2.046 2.391 . 0 0 "[ . 1 . 2]" 1
638 1 59 PHE H 1 59 PHE HB3 . . 3.200 3.353 2.853 3.398 0.198 12 0 "[ . 1 . 2]" 1
639 1 59 PHE H 1 60 VAL H . . 2.400 2.392 2.056 2.479 0.079 15 0 "[ . 1 . 2]" 1
640 1 59 PHE H 1 60 VAL HB . . 4.500 4.224 3.615 4.449 . 0 0 "[ . 1 . 2]" 1
641 1 59 PHE H 1 60 VAL MG2 . . 6.000 4.298 3.987 4.632 . 0 0 "[ . 1 . 2]" 1
642 1 59 PHE HA 1 59 PHE HB2 . . 3.000 3.028 2.779 3.050 0.050 16 0 "[ . 1 . 2]" 1
643 1 59 PHE HB3 1 60 VAL H . . 6.000 3.522 2.442 3.826 . 0 0 "[ . 1 . 2]" 1
644 1 59 PHE HB3 1 60 VAL HA . . 4.900 4.368 3.837 4.528 . 0 0 "[ . 1 . 2]" 1
645 1 59 PHE HB3 1 60 VAL MG2 . . 5.400 4.395 3.309 4.525 . 0 0 "[ . 1 . 2]" 1
646 1 60 VAL H 1 60 VAL HB . . 2.400 2.185 2.094 2.272 . 0 0 "[ . 1 . 2]" 1
647 1 60 VAL H 1 60 VAL MG2 . . 3.400 2.526 2.389 2.832 . 0 0 "[ . 1 . 2]" 1
648 1 60 VAL H 1 61 PRO HD3 . . 6.000 4.761 4.629 4.880 . 0 0 "[ . 1 . 2]" 1
649 1 60 VAL HA 1 60 VAL MG1 . . 3.400 2.744 2.646 2.851 . 0 0 "[ . 1 . 2]" 1
650 1 60 VAL HA 1 60 VAL MG2 . . 3.400 2.035 1.969 2.082 . 0 0 "[ . 1 . 2]" 1
651 1 60 VAL HA 1 61 PRO HD2 . . 2.800 2.270 2.214 2.365 . 0 0 "[ . 1 . 2]" 1
652 1 60 VAL HA 1 61 PRO HD3 . . 2.400 2.270 2.161 2.325 . 0 0 "[ . 1 . 2]" 1
653 1 60 VAL HA 1 64 TRP QB . . 4.780 4.080 3.990 4.177 . 0 0 "[ . 1 . 2]" 1
654 1 60 VAL HB 1 61 PRO HD2 . . 6.000 4.475 4.258 4.599 . 0 0 "[ . 1 . 2]" 1
655 1 60 VAL HB 1 65 LYS HA . . 6.000 4.450 4.149 5.132 . 0 0 "[ . 1 . 2]" 1
656 1 60 VAL HB 1 68 ILE QG . . 4.780 3.024 2.676 3.493 . 0 0 "[ . 1 . 2]" 1
657 1 60 VAL MG1 1 61 PRO HD2 . . 7.000 2.420 2.213 2.757 . 0 0 "[ . 1 . 2]" 1
658 1 60 VAL MG1 1 61 PRO HD3 . . 5.200 3.730 3.563 3.941 . 0 0 "[ . 1 . 2]" 1
659 1 60 VAL MG1 1 64 TRP HB2 . . 6.400 2.239 2.127 2.463 . 0 0 "[ . 1 . 2]" 1
660 1 60 VAL MG1 1 64 TRP QB . . 6.190 2.150 2.050 2.311 . 0 0 "[ . 1 . 2]" 1
661 1 60 VAL MG1 1 64 TRP HB3 . . 6.400 2.783 2.557 3.030 . 0 0 "[ . 1 . 2]" 1
662 1 60 VAL MG1 1 65 LYS QE . . 6.800 3.473 2.079 4.489 . 0 0 "[ . 1 . 2]" 1
663 1 60 VAL MG1 1 65 LYS QG . . 8.000 2.708 2.069 4.010 . 0 0 "[ . 1 . 2]" 1
664 1 60 VAL MG1 1 67 TYR H . . 7.000 4.339 3.737 4.736 . 0 0 "[ . 1 . 2]" 1
665 1 60 VAL MG1 1 68 ILE MD . . 8.000 2.048 1.855 2.218 . 0 0 "[ . 1 . 2]" 1
666 1 60 VAL MG2 1 61 PRO HD2 . . 3.400 2.892 2.871 2.939 . 0 0 "[ . 1 . 2]" 1
667 1 60 VAL MG2 1 61 PRO HD3 . . 4.400 3.657 3.520 3.699 . 0 0 "[ . 1 . 2]" 1
668 1 60 VAL MG2 1 64 TRP H . . 6.700 5.420 5.262 5.487 . 0 0 "[ . 1 . 2]" 1
669 1 60 VAL MG2 1 64 TRP HA . . 6.700 5.606 5.564 5.636 . 0 0 "[ . 1 . 2]" 1
670 1 60 VAL MG2 1 64 TRP QB . . 4.480 3.350 3.258 3.376 . 0 0 "[ . 1 . 2]" 1
671 1 60 VAL MG2 1 64 TRP HE3 . . 5.400 4.007 3.791 4.239 . 0 0 "[ . 1 . 2]" 1
672 1 60 VAL MG2 1 65 LYS HA . . 6.500 4.734 4.566 5.175 . 0 0 "[ . 1 . 2]" 1
673 1 60 VAL MG2 1 67 TYR QD . . 9.000 5.354 5.042 5.992 . 0 0 "[ . 1 . 2]" 1
674 1 60 VAL MG2 1 68 ILE QG . . 5.080 2.875 2.426 3.706 . 0 0 "[ . 1 . 2]" 1
675 1 61 PRO HA 1 62 GLU H . . 2.800 2.342 2.284 2.419 . 0 0 "[ . 1 . 2]" 1
676 1 61 PRO QB 1 62 GLU H . . 3.700 3.054 2.865 3.192 . 0 0 "[ . 1 . 2]" 1
677 1 61 PRO QB 1 63 GLU H . . 3.730 2.754 2.626 3.079 . 0 0 "[ . 1 . 2]" 1
678 1 61 PRO QB 1 63 GLU QB . . 5.950 2.659 2.404 2.949 . 0 0 "[ . 1 . 2]" 1
679 1 61 PRO QB 1 64 TRP QB . . 6.820 3.923 3.267 4.276 . 0 0 "[ . 1 . 2]" 1
680 1 61 PRO QB 1 64 TRP HE3 . . 5.680 4.525 4.161 4.715 . 0 0 "[ . 1 . 2]" 1
681 1 61 PRO HB2 1 62 GLU H . . 3.900 3.283 3.003 3.612 . 0 0 "[ . 1 . 2]" 1
682 1 61 PRO HB2 1 63 GLU H . . 4.300 2.792 2.648 3.206 . 0 0 "[ . 1 . 2]" 1
683 1 61 PRO HB2 1 64 TRP HB2 . . 7.750 4.186 3.372 4.649 . 0 0 "[ . 1 . 2]" 1
684 1 61 PRO HB2 1 64 TRP HB3 . . 7.750 5.877 5.050 6.341 . 0 0 "[ . 1 . 2]" 1
685 1 61 PRO HB3 1 62 GLU H . . 3.900 3.664 3.442 3.808 . 0 0 "[ . 1 . 2]" 1
686 1 61 PRO HB3 1 63 GLU H . . 4.300 4.272 3.972 4.353 0.053 5 0 "[ . 1 . 2]" 1
687 1 61 PRO HB3 1 64 TRP HB2 . . 7.750 5.176 4.919 5.372 . 0 0 "[ . 1 . 2]" 1
688 1 61 PRO HB3 1 64 TRP HB3 . . 7.750 6.913 6.641 7.133 . 0 0 "[ . 1 . 2]" 1
689 1 61 PRO HD2 1 64 TRP QB . . 6.680 2.380 2.324 2.437 . 0 0 "[ . 1 . 2]" 1
690 1 61 PRO HD2 1 64 TRP HD1 . . 6.000 6.036 6.005 6.093 0.093 20 0 "[ . 1 . 2]" 1
691 1 61 PRO HD2 1 64 TRP HE3 . . 3.100 2.557 2.282 2.722 . 0 0 "[ . 1 . 2]" 1
692 1 61 PRO HD3 1 64 TRP QB . . 5.380 4.020 3.944 4.079 . 0 0 "[ . 1 . 2]" 1
693 1 61 PRO HD3 1 64 TRP HE3 . . 5.000 3.546 3.241 3.761 . 0 0 "[ . 1 . 2]" 1
694 1 61 PRO QG 1 64 TRP H . . 6.880 3.058 2.530 3.893 . 0 0 "[ . 1 . 2]" 1
695 1 61 PRO QG 1 64 TRP QB . . 7.750 2.614 2.348 3.199 . 0 0 "[ . 1 . 2]" 1
696 1 61 PRO QG 1 64 TRP HE3 . . 5.740 2.561 2.440 2.700 . 0 0 "[ . 1 . 2]" 1
697 1 61 PRO QG 1 64 TRP HZ3 . . 4.780 3.529 3.171 3.736 . 0 0 "[ . 1 . 2]" 1
698 1 61 PRO HG2 1 64 TRP HE3 . . 6.000 2.697 2.500 3.001 . 0 0 "[ . 1 . 2]" 1
699 1 61 PRO HG3 1 64 TRP HE3 . . 6.000 3.293 2.908 4.014 . 0 0 "[ . 1 . 2]" 1
700 1 61 PRO O 1 64 TRP H . . 2.400 1.904 1.819 2.048 . 0 0 "[ . 1 . 2]" 1
701 1 61 PRO O 1 64 TRP N . . 3.300 2.692 2.645 2.765 . 0 0 "[ . 1 . 2]" 1
702 1 62 GLU H 1 62 GLU HA . . 2.700 2.671 2.618 2.733 0.033 2 0 "[ . 1 . 2]" 1
703 1 62 GLU H 1 62 GLU HB2 . . 3.000 2.098 1.989 2.357 . 0 0 "[ . 1 . 2]" 1
704 1 62 GLU H 1 62 GLU HB3 . . 3.000 3.120 2.650 3.270 0.270 3 0 "[ . 1 . 2]" 1
705 1 62 GLU H 1 62 GLU HG2 . . 5.100 3.685 2.060 4.566 . 0 0 "[ . 1 . 2]" 1
706 1 62 GLU H 1 62 GLU QG . . 4.870 3.290 2.035 4.060 . 0 0 "[ . 1 . 2]" 1
707 1 62 GLU H 1 62 GLU HG3 . . 5.100 3.740 3.173 4.549 . 0 0 "[ . 1 . 2]" 1
708 1 62 GLU H 1 63 GLU H . . 3.100 2.940 2.849 3.019 . 0 0 "[ . 1 . 2]" 1
709 1 62 GLU H 1 65 LYS QG . . 7.000 4.639 3.346 6.095 . 0 0 "[ . 1 . 2]" 1
710 1 62 GLU HA 1 65 LYS H . . 3.300 3.098 2.920 3.370 0.070 9 0 "[ . 1 . 2]" 1
711 1 62 GLU HA 1 65 LYS QD . . 5.500 2.484 1.979 3.973 . 0 0 "[ . 1 . 2]" 1
712 1 62 GLU HA 1 65 LYS QE . . 5.300 3.819 2.387 4.550 . 0 0 "[ . 1 . 2]" 1
713 1 62 GLU HA 1 65 LYS QG . . 7.000 2.907 1.929 4.050 . 0 0 "[ . 1 . 2]" 1
714 1 62 GLU HB2 1 62 GLU QG . . 2.650 2.352 2.223 2.396 . 0 0 "[ . 1 . 2]" 1
715 1 62 GLU HB2 1 63 GLU H . . 4.100 2.961 2.484 3.889 . 0 0 "[ . 1 . 2]" 1
716 1 62 GLU HB2 1 65 LYS QD . . 7.000 4.720 3.918 6.293 . 0 0 "[ . 1 . 2]" 1
717 1 62 GLU HB3 1 63 GLU H . . 3.100 3.004 2.521 3.182 0.082 10 0 "[ . 1 . 2]" 1
718 1 62 GLU HB3 1 65 LYS QG . . 7.000 5.286 4.125 6.041 . 0 0 "[ . 1 . 2]" 1
719 1 62 GLU QG 1 63 GLU H . . 6.880 4.284 3.658 4.534 . 0 0 "[ . 1 . 2]" 1
720 1 62 GLU QG 1 65 LYS HB2 . . 4.580 3.953 3.280 4.180 . 0 0 "[ . 1 . 2]" 1
721 1 62 GLU QG 1 65 LYS HB3 . . 6.880 5.013 4.564 5.351 . 0 0 "[ . 1 . 2]" 1
722 1 62 GLU HG2 1 65 LYS QD . . 7.000 4.477 4.089 6.273 . 0 0 "[ . 1 . 2]" 1
723 1 62 GLU HG3 1 65 LYS QD . . 7.000 3.280 2.529 5.038 . 0 0 "[ . 1 . 2]" 1
724 1 63 GLU H 1 63 GLU HA . . 2.800 2.762 2.729 2.794 . 0 0 "[ . 1 . 2]" 1
725 1 63 GLU H 1 63 GLU HB2 . . 3.000 2.296 2.076 2.424 . 0 0 "[ . 1 . 2]" 1
726 1 63 GLU H 1 63 GLU QB . . 2.620 2.153 2.037 2.211 . 0 0 "[ . 1 . 2]" 1
727 1 63 GLU H 1 63 GLU HB3 . . 3.000 2.660 2.454 2.954 . 0 0 "[ . 1 . 2]" 1
728 1 63 GLU H 1 64 TRP H . . 3.000 2.924 2.816 3.026 0.026 16 0 "[ . 1 . 2]" 1
729 1 63 GLU HA 1 63 GLU QB . . 2.600 2.366 2.315 2.436 . 0 0 "[ . 1 . 2]" 1
730 1 63 GLU QB 1 64 TRP H . . 4.550 2.497 2.250 2.642 . 0 0 "[ . 1 . 2]" 1
731 1 63 GLU QB 1 64 TRP HE3 . . 6.880 5.052 4.761 5.394 . 0 0 "[ . 1 . 2]" 1
732 1 63 GLU HB2 1 64 TRP H . . 5.400 3.766 3.393 3.941 . 0 0 "[ . 1 . 2]" 1
733 1 63 GLU HB3 1 64 TRP H . . 5.400 2.534 2.284 2.685 . 0 0 "[ . 1 . 2]" 1
734 1 63 GLU QG 1 64 TRP HD1 . . 7.000 2.941 2.357 4.128 . 0 0 "[ . 1 . 2]" 1
735 1 63 GLU QG 1 64 TRP HE1 . . 7.000 2.812 2.253 3.319 . 0 0 "[ . 1 . 2]" 1
736 1 63 GLU QG 1 64 TRP HH2 . . 7.000 6.162 5.708 6.332 . 0 0 "[ . 1 . 2]" 1
737 1 64 TRP H 1 64 TRP HB2 . . 3.700 2.450 2.397 2.517 . 0 0 "[ . 1 . 2]" 1
738 1 64 TRP H 1 64 TRP QB . . 3.440 2.415 2.365 2.478 . 0 0 "[ . 1 . 2]" 1
739 1 64 TRP H 1 64 TRP HB3 . . 3.700 3.658 3.621 3.704 0.004 12 0 "[ . 1 . 2]" 1
740 1 64 TRP H 1 65 LYS H . . 2.700 2.388 2.308 2.695 . 0 0 "[ . 1 . 2]" 1
741 1 64 TRP HA 1 64 TRP HD1 . . 2.900 2.164 2.102 2.238 . 0 0 "[ . 1 . 2]" 1
742 1 64 TRP HA 1 64 TRP HE1 . . 6.000 4.646 4.505 4.745 . 0 0 "[ . 1 . 2]" 1
743 1 64 TRP HA 1 65 LYS H . . 3.300 3.326 3.277 3.351 0.051 14 0 "[ . 1 . 2]" 1
744 1 64 TRP HA 1 66 SER H . . 3.700 3.132 2.879 3.261 . 0 0 "[ . 1 . 2]" 1
745 1 64 TRP HA 1 67 TYR H . . 4.000 2.537 2.298 3.038 . 0 0 "[ . 1 . 2]" 1
746 1 64 TRP HA 1 67 TYR QD . . 5.400 2.724 2.410 3.145 . 0 0 "[ . 1 . 2]" 1
747 1 64 TRP HA 1 67 TYR QE . . 7.100 4.267 3.900 4.842 . 0 0 "[ . 1 . 2]" 1
748 1 64 TRP QB 1 65 LYS H . . 5.180 3.498 3.345 3.690 . 0 0 "[ . 1 . 2]" 1
749 1 64 TRP QB 1 67 TYR H . . 5.680 3.670 3.520 3.988 . 0 0 "[ . 1 . 2]" 1
750 1 64 TRP QB 1 67 TYR QD . . 5.980 2.302 2.171 3.042 . 0 0 "[ . 1 . 2]" 1
751 1 64 TRP HB2 1 67 TYR QD . . 6.700 3.885 3.760 4.600 . 0 0 "[ . 1 . 2]" 1
752 1 64 TRP HB2 1 67 TYR QE . . 8.000 5.398 5.134 6.472 . 0 0 "[ . 1 . 2]" 1
753 1 64 TRP HB3 1 67 TYR QD . . 6.700 2.319 2.184 3.087 . 0 0 "[ . 1 . 2]" 1
754 1 64 TRP HB3 1 67 TYR QE . . 8.000 4.251 4.030 5.175 . 0 0 "[ . 1 . 2]" 1
755 1 64 TRP HD1 1 67 TYR QD . . 6.900 2.922 2.464 3.374 . 0 0 "[ . 1 . 2]" 1
756 1 64 TRP HD1 1 67 TYR QE . . 5.700 3.040 2.742 3.458 . 0 0 "[ . 1 . 2]" 1
757 1 64 TRP HE1 1 67 TYR QD . . 8.000 4.613 4.282 5.016 . 0 0 "[ . 1 . 2]" 1
758 1 64 TRP HE1 1 67 TYR QE . . 8.000 3.356 3.024 3.992 . 0 0 "[ . 1 . 2]" 1
759 1 65 LYS H 1 65 LYS HB2 . . 2.700 2.378 2.133 2.531 . 0 0 "[ . 1 . 2]" 1
760 1 65 LYS H 1 65 LYS HB3 . . 4.200 3.520 2.953 3.674 . 0 0 "[ . 1 . 2]" 1
761 1 65 LYS H 1 65 LYS QG . . 5.000 3.017 2.350 3.963 . 0 0 "[ . 1 . 2]" 1
762 1 65 LYS H 1 66 SER H . . 3.500 2.676 2.549 2.756 . 0 0 "[ . 1 . 2]" 1
763 1 65 LYS HA 1 65 LYS QD . . 5.000 3.499 2.030 4.128 . 0 0 "[ . 1 . 2]" 1
764 1 65 LYS HA 1 65 LYS QE . . 4.300 3.789 2.588 4.002 . 0 0 "[ . 1 . 2]" 1
765 1 65 LYS HA 1 68 ILE H . . 3.600 3.066 2.642 3.518 . 0 0 "[ . 1 . 2]" 1
766 1 65 LYS HA 1 68 ILE HB . . 3.700 2.382 2.173 3.712 0.012 20 0 "[ . 1 . 2]" 1
767 1 65 LYS HA 1 68 ILE MD . . 7.000 3.285 2.015 3.744 . 0 0 "[ . 1 . 2]" 1
768 1 65 LYS HA 1 68 ILE QG . . 4.880 2.981 2.575 3.646 . 0 0 "[ . 1 . 2]" 1
769 1 65 LYS HB2 1 65 LYS QD . . 3.800 2.585 2.346 3.356 . 0 0 "[ . 1 . 2]" 1
770 1 65 LYS HB2 1 66 SER H . . 4.200 3.191 2.954 3.860 . 0 0 "[ . 1 . 2]" 1
771 1 65 LYS HB3 1 65 LYS QD . . 3.700 2.718 2.259 3.338 . 0 0 "[ . 1 . 2]" 1
772 1 65 LYS HB3 1 68 ILE QG . . 6.280 5.087 4.218 5.619 . 0 0 "[ . 1 . 2]" 1
773 1 65 LYS QD 1 68 ILE MG . . 7.600 4.794 4.039 5.303 . 0 0 "[ . 1 . 2]" 1
774 1 65 LYS QE 1 68 ILE MD . . 8.000 5.353 3.958 5.858 . 0 0 "[ . 1 . 2]" 1
775 1 65 LYS QE 1 68 ILE QG . . 7.680 4.344 3.324 4.793 . 0 0 "[ . 1 . 2]" 1
776 1 65 LYS QE 1 68 ILE MG . . 6.700 4.366 3.392 4.940 . 0 0 "[ . 1 . 2]" 1
777 1 65 LYS QG 1 68 ILE HB . . 7.000 3.684 2.822 5.573 . 0 0 "[ . 1 . 2]" 1
778 1 65 LYS QG 1 68 ILE MD . . 7.300 4.471 3.909 5.428 . 0 0 "[ . 1 . 2]" 1
779 1 65 LYS QG 1 68 ILE QG . . 7.880 3.660 2.878 5.047 . 0 0 "[ . 1 . 2]" 1
780 1 66 SER H 1 66 SER HA . . 2.800 2.768 2.699 2.816 0.016 16 0 "[ . 1 . 2]" 1
781 1 66 SER H 1 66 SER QB . . 3.720 2.586 2.441 2.748 . 0 0 "[ . 1 . 2]" 1
782 1 66 SER H 1 67 TYR H . . 3.400 2.972 2.869 3.065 . 0 0 "[ . 1 . 2]" 1
783 1 66 SER HA 1 69 GLN QB . . 4.480 2.848 2.564 3.367 . 0 0 "[ . 1 . 2]" 1
784 1 66 SER O 1 70 LYS H . . 2.400 1.889 1.821 2.204 . 0 0 "[ . 1 . 2]" 1
785 1 66 SER O 1 70 LYS N . . 3.300 2.834 2.775 3.134 . 0 0 "[ . 1 . 2]" 1
786 1 67 TYR H 1 67 TYR HB2 . . 2.600 2.346 2.224 2.501 . 0 0 "[ . 1 . 2]" 1
787 1 67 TYR H 1 67 TYR QE . . 6.800 4.944 4.629 5.113 . 0 0 "[ . 1 . 2]" 1
788 1 67 TYR H 1 68 ILE H . . 2.900 2.636 2.548 2.910 0.010 17 0 "[ . 1 . 2]" 1
789 1 67 TYR HA 1 67 TYR HB3 . . 2.700 2.614 2.560 2.708 0.008 20 0 "[ . 1 . 2]" 1
790 1 67 TYR HA 1 70 LYS H . . 4.000 3.014 2.907 3.063 . 0 0 "[ . 1 . 2]" 1
791 1 67 TYR HA 1 70 LYS HB2 . . 2.400 2.478 2.454 2.512 0.112 14 0 "[ . 1 . 2]" 1
792 1 67 TYR HA 1 70 LYS HB3 . . 2.400 2.396 2.337 2.424 0.024 14 0 "[ . 1 . 2]" 1
793 1 67 TYR HA 1 70 LYS QD . . 7.000 3.209 3.052 4.099 . 0 0 "[ . 1 . 2]" 1
794 1 67 TYR HA 1 70 LYS HG2 . . 6.000 4.666 4.544 4.748 . 0 0 "[ . 1 . 2]" 1
795 1 67 TYR HA 1 70 LYS HG3 . . 6.000 4.758 4.618 4.917 . 0 0 "[ . 1 . 2]" 1
796 1 67 TYR HA 1 71 ASN H . . 3.800 3.794 3.651 3.837 0.037 4 0 "[ . 1 . 2]" 1
797 1 67 TYR HB2 1 68 ILE H . . 4.500 2.786 2.546 3.291 . 0 0 "[ . 1 . 2]" 1
798 1 67 TYR HB3 1 68 ILE HA . . 3.800 3.923 3.879 3.972 0.172 20 0 "[ . 1 . 2]" 1
799 1 67 TYR HB3 1 71 ASN H . . 4.300 4.242 4.054 4.326 0.026 10 0 "[ . 1 . 2]" 1
800 1 67 TYR HB3 1 71 ASN QD . . 6.300 2.851 2.526 3.272 . 0 0 "[ . 1 . 2]" 1
801 1 67 TYR QD 1 70 LYS HB2 . . 8.000 3.927 3.634 4.186 . 0 0 "[ . 1 . 2]" 1
802 1 67 TYR QD 1 70 LYS HB3 . . 8.000 3.249 2.875 3.493 . 0 0 "[ . 1 . 2]" 1
803 1 67 TYR QD 1 70 LYS HG2 . . 8.000 4.732 4.346 5.106 . 0 0 "[ . 1 . 2]" 1
804 1 67 TYR QD 1 70 LYS HG3 . . 6.200 5.264 4.979 5.552 . 0 0 "[ . 1 . 2]" 1
805 1 67 TYR QD 1 71 ASN H . . 7.300 4.802 3.962 5.158 . 0 0 "[ . 1 . 2]" 1
806 1 67 TYR QD 1 71 ASN QD . . 8.200 3.462 2.544 3.996 . 0 0 "[ . 1 . 2]" 1
807 1 67 TYR QE 1 70 LYS QD . . 9.000 3.456 2.786 4.481 . 0 0 "[ . 1 . 2]" 1
808 1 67 TYR QE 1 70 LYS HG3 . . 8.000 6.357 5.815 6.688 . 0 0 "[ . 1 . 2]" 1
809 1 67 TYR O 1 71 ASN H . . 2.400 1.768 1.747 1.803 . 0 0 "[ . 1 . 2]" 1
810 1 67 TYR O 1 71 ASN N . . 3.300 2.761 2.736 2.795 . 0 0 "[ . 1 . 2]" 1
811 1 68 ILE H 1 68 ILE HA . . 2.900 2.787 2.757 2.818 . 0 0 "[ . 1 . 2]" 1
812 1 68 ILE H 1 68 ILE HB . . 2.500 2.168 2.085 2.251 . 0 0 "[ . 1 . 2]" 1
813 1 68 ILE H 1 68 ILE MD . . 3.900 2.081 1.877 2.138 . 0 0 "[ . 1 . 2]" 1
814 1 68 ILE H 1 68 ILE HG12 . . 4.000 3.405 3.317 3.710 . 0 0 "[ . 1 . 2]" 1
815 1 68 ILE H 1 68 ILE QG . . 3.510 3.198 3.152 3.256 . 0 0 "[ . 1 . 2]" 1
816 1 68 ILE H 1 68 ILE HG13 . . 4.000 3.901 3.535 3.962 . 0 0 "[ . 1 . 2]" 1
817 1 68 ILE H 1 68 ILE MG . . 4.300 3.632 3.590 3.658 . 0 0 "[ . 1 . 2]" 1
818 1 68 ILE H 1 69 GLN H . . 3.000 2.742 2.636 2.831 . 0 0 "[ . 1 . 2]" 1
819 1 68 ILE H 1 70 LYS H . . 4.700 3.924 3.769 4.020 . 0 0 "[ . 1 . 2]" 1
820 1 68 ILE HA 1 68 ILE MD . . 3.400 2.139 2.059 2.828 . 0 0 "[ . 1 . 2]" 1
821 1 68 ILE HA 1 68 ILE HG12 . . 4.100 3.695 3.608 3.770 . 0 0 "[ . 1 . 2]" 1
822 1 68 ILE HA 1 68 ILE QG . . 3.620 2.740 2.407 2.898 . 0 0 "[ . 1 . 2]" 1
823 1 68 ILE HA 1 68 ILE HG13 . . 4.100 2.826 2.439 3.012 . 0 0 "[ . 1 . 2]" 1
824 1 68 ILE HA 1 68 ILE MG . . 3.400 2.715 2.590 2.798 . 0 0 "[ . 1 . 2]" 1
825 1 68 ILE HA 1 69 GLN H . . 3.600 3.578 3.554 3.600 . 0 0 "[ . 1 . 2]" 1
826 1 68 ILE HA 1 71 ASN H . . 4.500 3.335 3.181 3.626 . 0 0 "[ . 1 . 2]" 1
827 1 68 ILE HB 1 68 ILE MD . . 3.400 2.776 2.399 2.848 . 0 0 "[ . 1 . 2]" 1
828 1 68 ILE HB 1 69 GLN H . . 3.700 2.599 2.476 2.735 . 0 0 "[ . 1 . 2]" 1
829 1 68 ILE QG 1 69 GLN H . . 6.780 4.406 4.324 4.501 . 0 0 "[ . 1 . 2]" 1
830 1 68 ILE HG12 1 68 ILE MG . . 3.400 2.486 2.200 2.578 . 0 0 "[ . 1 . 2]" 1
831 1 68 ILE HG13 1 68 ILE MG . . 3.400 2.224 2.160 2.437 . 0 0 "[ . 1 . 2]" 1
832 1 68 ILE MG 1 69 GLN H . . 4.800 2.923 2.766 3.033 . 0 0 "[ . 1 . 2]" 1
833 1 68 ILE MG 1 72 ARG QD . . 6.280 3.158 2.157 4.490 . 0 0 "[ . 1 . 2]" 1
834 1 68 ILE O 1 72 ARG H . . 2.400 1.892 1.812 1.984 . 0 0 "[ . 1 . 2]" 1
835 1 68 ILE O 1 72 ARG N . . 3.300 2.877 2.799 2.977 . 0 0 "[ . 1 . 2]" 1
836 1 69 GLN H 1 69 GLN HB2 . . 3.400 2.180 2.124 2.328 . 0 0 "[ . 1 . 2]" 1
837 1 69 GLN H 1 69 GLN QB . . 2.900 2.155 2.105 2.276 . 0 0 "[ . 1 . 2]" 1
838 1 69 GLN H 1 69 GLN HB3 . . 3.400 3.432 2.860 3.504 0.104 20 0 "[ . 1 . 2]" 1
839 1 69 GLN H 1 69 GLN QE . . 4.570 2.585 2.249 3.791 . 0 0 "[ . 1 . 2]" 1
840 1 69 GLN H 1 69 GLN HG3 . . 4.800 3.502 2.511 4.554 . 0 0 "[ . 1 . 2]" 1
841 1 69 GLN H 1 70 LYS H . . 4.700 2.766 2.699 2.806 . 0 0 "[ . 1 . 2]" 1
842 1 69 GLN HA 1 69 GLN QE . . 4.970 3.835 2.929 4.355 . 0 0 "[ . 1 . 2]" 1
843 1 69 GLN HA 1 69 GLN HG2 . . 3.800 3.177 2.493 3.666 . 0 0 "[ . 1 . 2]" 1
844 1 69 GLN HA 1 69 GLN HG3 . . 4.100 2.551 2.387 2.798 . 0 0 "[ . 1 . 2]" 1
845 1 69 GLN HA 1 72 ARG H . . 4.000 3.377 3.217 3.649 . 0 0 "[ . 1 . 2]" 1
846 1 69 GLN HA 1 72 ARG HB2 . . 2.400 2.357 2.190 2.492 0.092 17 0 "[ . 1 . 2]" 1
847 1 69 GLN HA 1 72 ARG HB3 . . 3.700 3.366 2.399 3.728 0.028 13 0 "[ . 1 . 2]" 1
848 1 69 GLN HA 1 72 ARG HD2 . . 6.000 3.137 2.570 3.951 . 0 0 "[ . 1 . 2]" 1
849 1 69 GLN HA 1 72 ARG QD . . 5.690 3.036 2.533 3.859 . 0 0 "[ . 1 . 2]" 1
850 1 69 GLN HA 1 72 ARG HD3 . . 6.000 4.225 3.555 5.407 . 0 0 "[ . 1 . 2]" 1
851 1 69 GLN HA 1 76 LYS QE . . 7.000 5.604 4.632 6.300 . 0 0 "[ . 1 . 2]" 1
852 1 69 GLN QB 1 69 GLN QE . . 4.020 2.371 2.090 2.794 . 0 0 "[ . 1 . 2]" 1
853 1 69 GLN QB 1 69 GLN HG3 . . 2.750 2.367 2.206 2.474 . 0 0 "[ . 1 . 2]" 1
854 1 69 GLN QB 1 70 LYS H . . 3.250 2.788 2.672 2.905 . 0 0 "[ . 1 . 2]" 1
855 1 69 GLN HB2 1 69 GLN HE22 . . 5.250 3.777 3.528 4.340 . 0 0 "[ . 1 . 2]" 1
856 1 69 GLN HB2 1 69 GLN HG2 . . 3.000 2.669 2.324 3.034 0.034 9 0 "[ . 1 . 2]" 1
857 1 69 GLN HB2 1 70 LYS H . . 3.700 2.999 2.784 3.762 0.062 18 0 "[ . 1 . 2]" 1
858 1 69 GLN HB3 1 69 GLN HE22 . . 5.250 4.824 4.399 5.225 . 0 0 "[ . 1 . 2]" 1
859 1 69 GLN HB3 1 69 GLN HG2 . . 3.000 2.459 2.352 2.639 . 0 0 "[ . 1 . 2]" 1
860 1 69 GLN HB3 1 70 LYS H . . 3.700 3.424 2.733 3.655 . 0 0 "[ . 1 . 2]" 1
861 1 69 GLN QE 1 72 ARG QD . . 7.740 4.995 2.906 6.154 . 0 0 "[ . 1 . 2]" 1
862 1 69 GLN HG3 1 72 ARG HB2 . . 5.100 4.487 3.783 4.816 . 0 0 "[ . 1 . 2]" 1
863 1 69 GLN HG3 1 72 ARG HB3 . . 6.000 5.027 4.023 5.991 . 0 0 "[ . 1 . 2]" 1
864 1 69 GLN HG3 1 72 ARG QD . . 4.880 4.055 3.440 4.410 . 0 0 "[ . 1 . 2]" 1
865 1 69 GLN O 1 73 ASP H . . 2.400 1.776 1.743 1.824 . 0 0 "[ . 1 . 2]" 1
866 1 69 GLN O 1 73 ASP N . . 3.300 2.713 2.625 2.782 . 0 0 "[ . 1 . 2]" 1
867 1 70 LYS H 1 70 LYS HB2 . . 2.500 2.312 2.264 2.352 . 0 0 "[ . 1 . 2]" 1
868 1 70 LYS H 1 70 LYS HB3 . . 2.900 2.780 2.740 2.853 . 0 0 "[ . 1 . 2]" 1
869 1 70 LYS H 1 70 LYS HG3 . . 5.400 4.318 4.261 4.366 . 0 0 "[ . 1 . 2]" 1
870 1 70 LYS H 1 71 ASN H . . 3.300 3.018 2.932 3.102 . 0 0 "[ . 1 . 2]" 1
871 1 70 LYS HA 1 70 LYS HB2 . . 2.600 2.622 2.609 2.641 0.041 20 0 "[ . 1 . 2]" 1
872 1 70 LYS HA 1 70 LYS HB3 . . 3.000 3.039 3.031 3.048 0.048 20 0 "[ . 1 . 2]" 1
873 1 70 LYS HA 1 70 LYS HG2 . . 3.100 2.951 2.848 3.088 . 0 0 "[ . 1 . 2]" 1
874 1 70 LYS HA 1 70 LYS HG3 . . 4.200 2.469 2.295 2.591 . 0 0 "[ . 1 . 2]" 1
875 1 70 LYS HA 1 73 ASP H . . 3.000 3.099 3.047 3.144 0.144 20 0 "[ . 1 . 2]" 1
876 1 70 LYS HA 1 73 ASP HB2 . . 2.500 2.510 2.406 2.559 0.059 20 0 "[ . 1 . 2]" 1
877 1 70 LYS HA 1 73 ASP HB3 . . 3.700 2.894 2.495 3.694 . 0 0 "[ . 1 . 2]" 1
878 1 70 LYS HB2 1 70 LYS HG3 . . 2.800 2.522 2.447 2.593 . 0 0 "[ . 1 . 2]" 1
879 1 70 LYS HB2 1 71 ASN H . . 4.600 3.712 3.656 3.811 . 0 0 "[ . 1 . 2]" 1
880 1 70 LYS HB3 1 71 ASN H . . 2.900 2.413 2.309 2.610 . 0 0 "[ . 1 . 2]" 1
881 1 70 LYS QD 1 71 ASN H . . 6.700 4.440 4.142 5.390 . 0 0 "[ . 1 . 2]" 1
882 1 70 LYS QD 1 71 ASN HA . . 7.000 5.376 4.999 6.053 . 0 0 "[ . 1 . 2]" 1
883 1 70 LYS QD 1 74 PHE QD . . 9.000 4.814 3.980 5.268 . 0 0 "[ . 1 . 2]" 1
884 1 70 LYS QD 1 74 PHE QE . . 9.000 4.402 2.802 4.838 . 0 0 "[ . 1 . 2]" 1
885 1 70 LYS QD 1 74 PHE HZ . . 7.000 5.393 4.682 5.877 . 0 0 "[ . 1 . 2]" 1
886 1 70 LYS HG2 1 71 ASN H . . 6.000 3.900 3.804 4.093 . 0 0 "[ . 1 . 2]" 1
887 1 70 LYS HG2 1 71 ASN HA . . 5.800 4.178 4.051 4.421 . 0 0 "[ . 1 . 2]" 1
888 1 70 LYS HG2 1 74 PHE HZ . . 5.300 4.978 4.693 5.289 . 0 0 "[ . 1 . 2]" 1
889 1 70 LYS HG3 1 71 ASN H . . 6.000 4.827 4.745 4.946 . 0 0 "[ . 1 . 2]" 1
890 1 70 LYS HG3 1 74 PHE HZ . . 6.000 5.915 5.711 6.045 0.045 5 0 "[ . 1 . 2]" 1
891 1 70 LYS O 1 74 PHE H . . 2.400 1.836 1.796 1.898 . 0 0 "[ . 1 . 2]" 1
892 1 70 LYS O 1 74 PHE N . . 3.300 2.833 2.764 2.906 . 0 0 "[ . 1 . 2]" 1
893 1 71 ASN H 1 71 ASN HA . . 2.900 2.805 2.785 2.843 . 0 0 "[ . 1 . 2]" 1
894 1 71 ASN H 1 71 ASN HB2 . . 2.400 2.295 2.222 2.363 . 0 0 "[ . 1 . 2]" 1
895 1 71 ASN H 1 71 ASN HB3 . . 3.500 3.510 3.470 3.535 0.035 4 0 "[ . 1 . 2]" 1
896 1 71 ASN H 1 71 ASN QD . . 3.400 1.818 1.771 1.912 . 0 0 "[ . 1 . 2]" 1
897 1 71 ASN H 1 72 ARG H . . 3.100 2.854 2.726 2.964 . 0 0 "[ . 1 . 2]" 1
898 1 71 ASN HA 1 71 ASN HB2 . . 3.000 3.058 3.046 3.073 0.073 19 0 "[ . 1 . 2]" 1
899 1 71 ASN HA 1 71 ASN HB3 . . 2.800 2.619 2.542 2.698 . 0 0 "[ . 1 . 2]" 1
900 1 71 ASN HA 1 74 PHE H . . 3.500 3.603 3.557 3.674 0.174 19 0 "[ . 1 . 2]" 1
901 1 71 ASN HA 1 74 PHE HB2 . . 3.900 2.549 2.483 2.602 . 0 0 "[ . 1 . 2]" 1
902 1 71 ASN HA 1 74 PHE QB . . 3.600 2.519 2.457 2.569 . 0 0 "[ . 1 . 2]" 1
903 1 71 ASN HA 1 74 PHE HB3 . . 3.900 3.941 3.919 3.978 0.078 18 0 "[ . 1 . 2]" 1
904 1 71 ASN HA 1 75 PHE QE . . 8.000 3.500 3.084 4.061 . 0 0 "[ . 1 . 2]" 1
905 1 71 ASN HB2 1 72 ARG H . . 3.200 2.619 2.464 2.769 . 0 0 "[ . 1 . 2]" 1
906 1 71 ASN HB3 1 72 ARG H . . 4.300 3.400 3.237 3.512 . 0 0 "[ . 1 . 2]" 1
907 1 72 ARG H 1 72 ARG HB2 . . 2.500 2.108 2.047 2.250 . 0 0 "[ . 1 . 2]" 1
908 1 72 ARG H 1 72 ARG HB3 . . 3.300 3.295 2.914 3.423 0.123 1 0 "[ . 1 . 2]" 1
909 1 72 ARG H 1 72 ARG HG3 . . 5.200 3.274 2.480 4.229 . 0 0 "[ . 1 . 2]" 1
910 1 72 ARG H 1 73 ASP H . . 2.800 2.804 2.765 2.832 0.032 6 0 "[ . 1 . 2]" 1
911 1 72 ARG HA 1 72 ARG HB3 . . 2.900 2.810 2.625 2.982 0.082 17 0 "[ . 1 . 2]" 1
912 1 72 ARG HA 1 72 ARG HG3 . . 3.900 2.345 2.131 2.612 . 0 0 "[ . 1 . 2]" 1
913 1 72 ARG HA 1 75 PHE QB . . 5.180 3.919 3.382 4.397 . 0 0 "[ . 1 . 2]" 1
914 1 72 ARG HA 1 75 PHE QD . . 7.000 3.814 3.376 4.469 . 0 0 "[ . 1 . 2]" 1
915 1 72 ARG HB2 1 72 ARG HE . . 5.200 4.278 2.683 4.714 . 0 0 "[ . 1 . 2]" 1
916 1 72 ARG HB2 1 73 ASP H . . 4.200 3.038 2.547 3.745 . 0 0 "[ . 1 . 2]" 1
917 1 72 ARG HB2 1 75 PHE QD . . 8.000 6.362 6.082 6.686 . 0 0 "[ . 1 . 2]" 1
918 1 72 ARG HB2 1 76 LYS QE . . 7.000 4.592 3.714 6.166 . 0 0 "[ . 1 . 2]" 1
919 1 72 ARG HB3 1 72 ARG HE . . 5.100 4.568 3.550 5.096 . 0 0 "[ . 1 . 2]" 1
920 1 72 ARG HB3 1 72 ARG HG2 . . 2.500 2.425 2.263 2.493 . 0 0 "[ . 1 . 2]" 1
921 1 72 ARG HB3 1 73 ASP H . . 3.000 2.953 2.755 3.075 0.075 20 0 "[ . 1 . 2]" 1
922 1 72 ARG HB3 1 76 LYS QD . . 5.500 3.575 2.452 4.769 . 0 0 "[ . 1 . 2]" 1
923 1 72 ARG HG2 1 73 ASP H . . 6.000 4.884 4.511 4.992 . 0 0 "[ . 1 . 2]" 1
924 1 72 ARG HG2 1 76 LYS QD . . 7.000 3.588 2.429 4.611 . 0 0 "[ . 1 . 2]" 1
925 1 72 ARG HG3 1 73 ASP H . . 6.000 4.845 4.536 5.157 . 0 0 "[ . 1 . 2]" 1
926 1 72 ARG HG3 1 76 LYS QE . . 7.000 5.043 3.631 6.283 . 0 0 "[ . 1 . 2]" 1
927 1 72 ARG O 1 75 PHE H . . 2.400 2.183 1.808 3.199 0.799 12 1 "[ . 1 + . 2]" 1
928 1 72 ARG O 1 75 PHE N . . 3.300 3.014 2.762 4.023 0.723 12 1 "[ . 1 + . 2]" 1
929 1 73 ASP H 1 73 ASP HB2 . . 2.800 2.146 1.960 2.314 . 0 0 "[ . 1 . 2]" 1
930 1 73 ASP H 1 73 ASP HB3 . . 3.000 2.941 2.735 3.232 0.232 6 0 "[ . 1 . 2]" 1
931 1 73 ASP H 1 74 PHE H . . 2.900 2.688 2.442 2.848 . 0 0 "[ . 1 . 2]" 1
932 1 73 ASP H 1 74 PHE QB . . 6.680 4.270 4.040 4.395 . 0 0 "[ . 1 . 2]" 1
933 1 73 ASP HA 1 73 ASP HB2 . . 2.700 2.686 2.574 2.882 0.182 6 0 "[ . 1 . 2]" 1
934 1 73 ASP HA 1 76 LYS H . . 4.200 3.500 3.159 4.223 0.023 17 0 "[ . 1 . 2]" 1
935 1 73 ASP HA 1 76 LYS HB2 . . 3.800 3.036 2.224 3.802 0.002 9 0 "[ . 1 . 2]" 1
936 1 73 ASP HA 1 76 LYS HB3 . . 5.000 3.059 2.115 4.887 . 0 0 "[ . 1 . 2]" 1
937 1 73 ASP HA 1 76 LYS QD . . 7.000 4.178 2.597 5.831 . 0 0 "[ . 1 . 2]" 1
938 1 73 ASP HA 1 76 LYS QG . . 6.800 4.194 3.946 4.677 . 0 0 "[ . 1 . 2]" 1
939 1 73 ASP HB2 1 74 PHE H . . 3.300 3.376 3.051 3.467 0.167 13 0 "[ . 1 . 2]" 1
940 1 73 ASP HB3 1 74 PHE H . . 3.400 2.537 2.179 3.245 . 0 0 "[ . 1 . 2]" 1
941 1 74 PHE H 1 74 PHE HB2 . . 3.400 2.127 2.065 2.181 . 0 0 "[ . 1 . 2]" 1
942 1 74 PHE H 1 74 PHE QB . . 2.900 2.107 2.047 2.159 . 0 0 "[ . 1 . 2]" 1
943 1 74 PHE H 1 74 PHE HB3 . . 3.400 3.414 3.338 3.458 0.058 17 0 "[ . 1 . 2]" 1
944 1 74 PHE H 1 74 PHE QE . . 6.900 4.985 4.789 5.124 . 0 0 "[ . 1 . 2]" 1
945 1 74 PHE H 1 75 PHE H . . 2.900 2.943 2.881 2.979 0.079 19 0 "[ . 1 . 2]" 1
946 1 74 PHE QB 1 75 PHE H . . 3.180 2.783 2.569 2.857 . 0 0 "[ . 1 . 2]" 1
947 1 74 PHE HB2 1 75 PHE H . . 3.400 3.057 2.745 3.230 . 0 0 "[ . 1 . 2]" 1
948 1 74 PHE HB2 1 75 PHE QD . . 8.000 3.523 2.500 4.169 . 0 0 "[ . 1 . 2]" 1
949 1 74 PHE HB3 1 75 PHE H . . 3.400 3.222 2.980 3.446 0.046 15 0 "[ . 1 . 2]" 1
950 1 74 PHE HB3 1 75 PHE QD . . 8.000 3.287 2.502 3.595 . 0 0 "[ . 1 . 2]" 1
951 1 74 PHE QD 1 75 PHE QD . . 10.000 4.459 3.957 4.649 . 0 0 "[ . 1 . 2]" 1
952 1 74 PHE QD 1 75 PHE QE . . 9.500 3.261 2.806 3.911 . 0 0 "[ . 1 . 2]" 1
953 1 74 PHE QD 1 75 PHE HZ . . 7.600 3.458 2.410 5.327 . 0 0 "[ . 1 . 2]" 1
954 1 74 PHE QD 1 76 LYS QE . . 9.000 6.926 6.613 7.156 . 0 0 "[ . 1 . 2]" 1
955 1 74 PHE QE 1 75 PHE QE . . 10.000 5.125 4.736 5.967 . 0 0 "[ . 1 . 2]" 1
956 1 75 PHE H 1 75 PHE HB2 . . 3.600 2.581 2.450 2.641 . 0 0 "[ . 1 . 2]" 1
957 1 75 PHE H 1 75 PHE QB . . 3.290 2.533 2.414 2.589 . 0 0 "[ . 1 . 2]" 1
958 1 75 PHE H 1 75 PHE HB3 . . 3.600 3.686 3.646 3.721 0.121 13 0 "[ . 1 . 2]" 1
959 1 75 PHE H 1 76 LYS H . . 2.800 2.562 2.100 2.891 0.091 17 0 "[ . 1 . 2]" 1
960 1 75 PHE H 1 76 LYS HB2 . . 4.500 3.900 3.373 4.546 0.046 12 0 "[ . 1 . 2]" 1
961 1 75 PHE HA 1 75 PHE QB . . 2.710 2.319 2.277 2.375 . 0 0 "[ . 1 . 2]" 1
962 1 75 PHE HA 1 76 LYS H . . 3.100 3.087 2.716 3.252 0.152 18 0 "[ . 1 . 2]" 1
963 1 76 LYS H 1 76 LYS HB2 . . 3.200 2.573 2.107 3.218 0.018 15 0 "[ . 1 . 2]" 1
964 1 76 LYS H 1 76 LYS HB3 . . 3.000 2.850 2.338 3.160 0.160 13 0 "[ . 1 . 2]" 1
965 1 76 LYS H 1 77 LYS H . . 4.400 3.160 1.975 4.542 0.142 3 0 "[ . 1 . 2]" 1
966 1 76 LYS HA 1 76 LYS HB2 . . 2.800 2.654 2.420 2.862 0.062 13 0 "[ . 1 . 2]" 1
967 1 76 LYS HA 1 76 LYS HG2 . . 3.900 3.356 2.869 3.794 . 0 0 "[ . 1 . 2]" 1
968 1 76 LYS HA 1 76 LYS QG . . 3.650 2.425 2.109 2.909 . 0 0 "[ . 1 . 2]" 1
969 1 76 LYS HA 1 76 LYS HG3 . . 3.900 2.516 2.133 3.021 . 0 0 "[ . 1 . 2]" 1
970 1 76 LYS HA 1 77 LYS H . . 3.600 3.089 2.170 3.632 0.032 7 0 "[ . 1 . 2]" 1
971 1 76 LYS HB3 1 77 LYS H . . 5.300 3.077 2.068 4.508 . 0 0 "[ . 1 . 2]" 1
972 1 76 LYS HB3 1 77 LYS QG . . 4.600 3.979 2.828 4.287 . 0 0 "[ . 1 . 2]" 1
973 1 76 LYS QD 1 77 LYS H . . 7.000 4.954 3.754 6.054 . 0 0 "[ . 1 . 2]" 1
974 1 76 LYS QG 1 77 LYS H . . 7.000 3.489 1.799 4.619 . 0 0 "[ . 1 . 2]" 1
975 1 76 LYS QG 1 77 LYS HB2 . . 7.000 4.685 2.564 6.202 . 0 0 "[ . 1 . 2]" 1
976 1 76 LYS QG 1 77 LYS QB . . 6.510 3.941 2.539 5.240 . 0 0 "[ . 1 . 2]" 1
977 1 76 LYS QG 1 77 LYS HB3 . . 7.000 4.609 3.310 6.265 . 0 0 "[ . 1 . 2]" 1
978 1 77 LYS H 1 77 LYS HB2 . . 3.500 3.279 2.619 3.705 0.205 11 0 "[ . 1 . 2]" 1
979 1 77 LYS H 1 77 LYS QB . . 3.290 2.729 2.203 3.141 . 0 0 "[ . 1 . 2]" 1
980 1 77 LYS H 1 77 LYS HB3 . . 3.500 3.092 2.226 3.674 0.174 9 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, April 27, 2024 3:07:12 PM GMT (wattos1)