NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440962 |
2k9z   |
16006 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k9z
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 1973
_Distance_constraint_stats_list.Viol_count 2909
_Distance_constraint_stats_list.Viol_total 4762.235
_Distance_constraint_stats_list.Viol_max 0.928
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0819
_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 2 GLU 2.179 0.405 2 0 "[ . 1 . 2]"
1 3 VAL 3.975 0.405 2 0 "[ . 1 . 2]"
1 4 LYS 5.176 0.533 13 1 "[ . 1 + . 2]"
1 5 ILE 5.659 0.463 1 0 "[ . 1 . 2]"
1 6 GLU 10.603 0.843 2 4 "[ + .- 1 *. *2]"
1 7 LYS 2.728 0.284 19 0 "[ . 1 . 2]"
1 8 PRO 7.740 0.843 2 4 "[ + .- 1 *. *2]"
1 9 THR 2.884 0.117 12 0 "[ . 1 . 2]"
1 10 PRO 3.880 0.395 17 0 "[ . 1 . 2]"
1 11 GLU 2.515 0.157 20 0 "[ . 1 . 2]"
1 12 LYS 2.336 0.219 5 0 "[ . 1 . 2]"
1 13 LEU 6.105 0.395 17 0 "[ . 1 . 2]"
1 14 LYS 2.191 0.229 13 0 "[ . 1 . 2]"
1 15 GLU 5.091 0.400 11 0 "[ . 1 . 2]"
1 16 LEU 3.675 0.400 11 0 "[ . 1 . 2]"
1 17 SER 1.428 0.273 6 0 "[ . 1 . 2]"
1 18 VAL 3.858 0.141 6 0 "[ . 1 . 2]"
1 19 GLU 1.358 0.082 18 0 "[ . 1 . 2]"
1 20 LYS 4.471 0.723 18 2 "[ .- 1 . + 2]"
1 21 TRP 9.006 0.723 18 2 "[ .- 1 . + 2]"
1 22 PRO 1.878 0.086 4 0 "[ . 1 . 2]"
1 23 ILE 7.425 0.112 9 0 "[ . 1 . 2]"
1 24 TRP 3.072 0.116 18 0 "[ . 1 . 2]"
1 25 GLU 7.531 0.681 6 4 "[ *.+* 1 .- 2]"
1 26 LYS 3.150 0.142 7 0 "[ . 1 . 2]"
1 27 GLU 4.896 0.798 5 5 "[ + 1* **. - 2]"
1 28 VAL 1.046 0.403 20 0 "[ . 1 . 2]"
1 29 SER 4.306 0.798 5 5 "[ + 1* **. - 2]"
1 30 GLU 0.538 0.073 16 0 "[ . 1 . 2]"
1 31 PHE 9.651 0.928 4 5 "[ +** 1 * - 2]"
1 32 ASP 6.389 0.928 4 2 "[ +* 1 . 2]"
1 33 TRP 7.190 0.802 15 3 "[ .* 1 + - 2]"
1 34 TYR 1.218 0.101 14 0 "[ . 1 . 2]"
1 35 TYR 1.376 0.088 8 0 "[ . 1 . 2]"
1 36 ASP 2.306 0.104 11 0 "[ . 1 . 2]"
1 37 THR 5.256 0.120 4 0 "[ . 1 . 2]"
1 38 ASN 4.374 0.118 18 0 "[ . 1 . 2]"
1 39 GLU 2.179 0.092 5 0 "[ . 1 . 2]"
1 40 THR 3.826 0.094 17 0 "[ . 1 . 2]"
1 41 CYS 0.577 0.114 17 0 "[ . 1 . 2]"
1 42 TYR 5.881 0.102 8 0 "[ . 1 . 2]"
1 43 ILE 6.540 0.139 20 0 "[ . 1 . 2]"
1 44 LEU 2.684 0.102 8 0 "[ . 1 . 2]"
1 45 GLU 6.179 0.723 5 4 "[ +* 1* . -]"
1 46 GLY 2.547 0.693 10 1 "[ . + . 2]"
1 47 LYS 10.646 0.761 10 2 "[ . - + . 2]"
1 48 VAL 6.740 0.616 20 1 "[ . 1 . +]"
1 49 GLU 10.541 0.468 13 0 "[ . 1 . 2]"
1 50 VAL 10.567 0.468 13 0 "[ . 1 . 2]"
1 51 THR 3.267 0.110 15 0 "[ . 1 . 2]"
1 52 THR 4.568 0.735 14 1 "[ . 1 +. 2]"
1 53 GLU 10.084 0.909 1 5 "[+-* . * 1* . 2]"
1 54 ASP 4.274 0.909 1 4 "[+-* . 1* . 2]"
1 55 GLY 5.082 0.899 11 5 "[**- . * 1+ . 2]"
1 56 LYS 5.822 0.735 14 1 "[ . 1 +. 2]"
1 57 LYS 3.783 0.409 20 0 "[ . 1 . 2]"
1 58 TYR 7.676 0.409 20 0 "[ . 1 . 2]"
1 59 VAL 5.519 0.358 20 0 "[ . 1 . 2]"
1 60 ILE 15.428 0.616 20 3 "[ - . 1 * . +]"
1 61 GLU 11.492 0.575 13 2 "[ - . 1 + . 2]"
1 62 LYS 14.067 0.681 8 5 "[ .* +-1 * . *]"
1 63 GLY 8.261 0.681 8 3 "[ . +-1 * . 2]"
1 64 ASP 4.941 0.114 10 0 "[ . 1 . 2]"
1 65 LEU 3.903 0.344 16 0 "[ . 1 . 2]"
1 66 VAL 4.167 0.290 20 0 "[ . 1 . 2]"
1 67 THR 7.647 0.533 13 1 "[ . 1 + . 2]"
1 68 PHE 3.187 0.116 17 0 "[ . 1 . 2]"
1 69 PRO 2.339 0.218 11 0 "[ . 1 . 2]"
1 70 LYS 8.380 0.120 4 0 "[ . 1 . 2]"
1 71 GLY 1.710 0.218 11 0 "[ . 1 . 2]"
1 72 LEU 1.626 0.088 8 0 "[ . 1 . 2]"
1 73 ARG 0.485 0.139 12 0 "[ . 1 . 2]"
1 74 CYS 2.851 0.108 3 0 "[ . 1 . 2]"
1 75 ARG 2.316 0.099 15 0 "[ . 1 . 2]"
1 76 TRP 5.758 0.127 11 0 "[ . 1 . 2]"
1 77 LYS 3.373 0.232 12 0 "[ . 1 . 2]"
1 78 VAL 5.878 0.095 6 0 "[ . 1 . 2]"
1 79 LEU 4.901 0.114 6 0 "[ . 1 . 2]"
1 80 GLU 11.904 0.761 10 2 "[ . - + . 2]"
1 81 PRO 0.053 0.038 5 0 "[ . 1 . 2]"
1 82 VAL 1.477 0.081 20 0 "[ . 1 . 2]"
1 83 ARG 9.672 0.723 5 6 "[ *+** 1* .- 2]"
1 84 LYS 4.787 0.116 18 0 "[ . 1 . 2]"
1 85 HIS 9.587 0.112 9 0 "[ . 1 . 2]"
1 86 TYR 5.009 0.097 16 0 "[ . 1 . 2]"
1 87 ASN 2.345 0.081 3 0 "[ . 1 . 2]"
1 88 LEU 3.255 0.097 16 0 "[ . 1 . 2]"
1 89 PHE 2.416 0.094 17 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 2 GLU HA 1 2 GLU QG . . 3.780 2.586 2.116 3.365 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 3 VAL H . . 2.900 2.573 2.157 2.969 0.069 10 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 3 VAL HB . . 4.800 4.756 4.329 4.879 0.079 11 0 "[ . 1 . 2]" 1
4 1 2 GLU HA 1 3 VAL QG . . 4.830 3.779 3.128 4.237 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HB2 1 2 GLU QG . . 2.510 2.336 2.138 2.523 0.013 3 0 "[ . 1 . 2]" 1
6 1 2 GLU HB2 1 3 VAL H . . 3.900 3.642 2.117 4.305 0.405 2 0 "[ . 1 . 2]" 1
7 1 2 GLU HB3 1 2 GLU QG . . 2.650 2.373 2.152 2.570 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU HB3 1 3 VAL H . . 4.220 3.126 2.323 4.296 0.076 9 0 "[ . 1 . 2]" 1
9 1 2 GLU QG 1 3 VAL H . . 4.660 3.038 1.610 4.511 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL H 1 3 VAL HB . . 3.270 2.884 2.178 3.456 0.186 20 0 "[ . 1 . 2]" 1
11 1 3 VAL H 1 3 VAL QG . . 3.530 2.228 1.858 2.715 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL H 1 4 LYS H . . 5.390 4.174 3.497 4.643 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL HA 1 4 LYS H . . 2.830 2.210 2.072 2.395 . 0 0 "[ . 1 . 2]" 1
14 1 3 VAL HA 1 4 LYS HB2 . . 4.820 4.327 4.040 4.749 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL HA 1 4 LYS HB3 . . 5.190 5.062 4.753 5.265 0.075 17 0 "[ . 1 . 2]" 1
16 1 3 VAL HA 1 66 VAL QG . . 5.430 4.043 3.232 4.503 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL HA 1 67 THR H . . 5.230 4.545 3.724 5.184 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL HA 1 68 PHE HA . . 3.990 2.787 2.087 3.597 . 0 0 "[ . 1 . 2]" 1
19 1 3 VAL HA 1 69 PRO HD2 . . 4.800 4.208 3.678 4.857 0.057 18 0 "[ . 1 . 2]" 1
20 1 3 VAL HB 1 4 LYS H . . 4.910 4.313 3.881 4.618 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL HB 1 58 TYR QE . . 4.490 3.734 2.672 4.599 0.109 17 0 "[ . 1 . 2]" 1
22 1 3 VAL HB 1 68 PHE QD . . 5.500 4.236 2.325 5.571 0.071 14 0 "[ . 1 . 2]" 1
23 1 3 VAL QG 1 4 LYS H . . 3.730 2.910 2.193 3.553 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL QG 1 4 LYS HA . . 5.170 3.914 3.389 4.459 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL QG 1 5 ILE H . . 5.460 4.160 3.067 4.788 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL QG 1 5 ILE HA . . 5.500 4.415 4.006 4.937 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL QG 1 5 ILE HB . . 5.500 4.333 3.744 5.039 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL QG 1 5 ILE MD . . 3.930 2.565 2.001 3.477 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL QG 1 5 ILE HG12 . . 4.020 3.056 2.424 4.027 0.007 13 0 "[ . 1 . 2]" 1
30 1 3 VAL QG 1 5 ILE HG13 . . 3.940 2.355 1.909 2.995 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL QG 1 52 THR MG . . 4.080 2.851 2.081 3.683 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL QG 1 58 TYR HB2 . . 5.380 3.972 2.998 4.719 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL QG 1 58 TYR HB3 . . 5.040 3.897 3.111 4.613 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL QG 1 58 TYR QD . . 3.940 3.101 2.268 3.766 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL QG 1 58 TYR QE . . 4.090 2.750 1.971 3.599 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL QG 1 60 ILE MD . . 4.840 4.479 3.696 4.845 0.005 13 0 "[ . 1 . 2]" 1
37 1 3 VAL QG 1 60 ILE MG . . 5.320 4.361 4.086 4.766 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL QG 1 66 VAL HA . . 5.240 4.265 3.547 4.898 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL QG 1 66 VAL QG . . 4.880 2.269 1.861 2.980 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL QG 1 67 THR H . . 4.660 3.687 2.997 4.562 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL QG 1 68 PHE HA . . 4.240 2.878 2.140 3.642 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL QG 1 68 PHE QD . . 3.610 2.326 1.891 2.942 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL QG 1 68 PHE QE . . 3.650 2.400 1.924 2.957 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL QG 1 68 PHE HZ . . 4.990 3.735 3.330 4.193 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL QG 1 69 PRO HD2 . . 4.550 3.607 2.500 4.248 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL QG 1 69 PRO HD3 . . 4.470 3.270 2.071 3.945 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL QG 1 72 LEU QD . . 3.650 2.154 1.851 2.859 . 0 0 "[ . 1 . 2]" 1
48 1 4 LYS H 1 4 LYS HB2 . . 3.460 2.493 2.081 2.875 . 0 0 "[ . 1 . 2]" 1
49 1 4 LYS H 1 4 LYS HB3 . . 3.570 2.948 2.603 3.225 . 0 0 "[ . 1 . 2]" 1
50 1 4 LYS H 1 4 LYS HG2 . . 4.940 4.568 4.198 4.964 0.024 13 0 "[ . 1 . 2]" 1
51 1 4 LYS H 1 4 LYS HG3 . . 4.890 4.496 4.126 4.826 . 0 0 "[ . 1 . 2]" 1
52 1 4 LYS H 1 5 ILE H . . 5.140 4.381 3.774 4.621 . 0 0 "[ . 1 . 2]" 1
53 1 4 LYS H 1 5 ILE HG13 . . 4.970 4.429 3.918 5.015 0.045 18 0 "[ . 1 . 2]" 1
54 1 4 LYS H 1 66 VAL HA . . 5.390 4.767 4.304 5.228 . 0 0 "[ . 1 . 2]" 1
55 1 4 LYS H 1 66 VAL QG . . 4.900 3.681 2.849 4.511 . 0 0 "[ . 1 . 2]" 1
56 1 4 LYS H 1 67 THR H . . 3.890 3.106 2.678 3.489 . 0 0 "[ . 1 . 2]" 1
57 1 4 LYS H 1 67 THR HB . . 3.950 3.670 3.084 4.027 0.077 14 0 "[ . 1 . 2]" 1
58 1 4 LYS H 1 67 THR MG . . 5.500 4.490 4.093 4.931 . 0 0 "[ . 1 . 2]" 1
59 1 4 LYS H 1 69 PRO HD3 . . 5.440 4.483 3.903 5.071 . 0 0 "[ . 1 . 2]" 1
60 1 4 LYS HA 1 4 LYS HG2 . . 3.850 2.910 2.099 3.676 . 0 0 "[ . 1 . 2]" 1
61 1 4 LYS HA 1 4 LYS HG3 . . 3.950 2.704 2.168 3.650 . 0 0 "[ . 1 . 2]" 1
62 1 4 LYS HA 1 5 ILE H . . 2.750 2.223 2.113 2.305 . 0 0 "[ . 1 . 2]" 1
63 1 4 LYS HA 1 5 ILE MD . . 5.350 5.195 4.631 5.439 0.089 18 0 "[ . 1 . 2]" 1
64 1 4 LYS HB2 1 5 ILE H . . 4.530 4.474 4.211 4.610 0.080 8 0 "[ . 1 . 2]" 1
65 1 4 LYS HB2 1 67 THR H . . 4.310 4.192 3.800 4.393 0.083 12 0 "[ . 1 . 2]" 1
66 1 4 LYS HB2 1 67 THR HB . . 3.250 3.225 2.741 3.334 0.084 18 0 "[ . 1 . 2]" 1
67 1 4 LYS HB3 1 5 ILE H . . 4.280 3.891 3.255 4.355 0.075 12 0 "[ . 1 . 2]" 1
68 1 4 LYS HB3 1 67 THR H . . 4.280 3.216 2.769 3.750 . 0 0 "[ . 1 . 2]" 1
69 1 4 LYS HB3 1 67 THR HB . . 3.260 2.668 2.078 3.339 0.079 19 0 "[ . 1 . 2]" 1
70 1 4 LYS HB3 1 67 THR MG . . 5.500 4.255 3.772 4.840 . 0 0 "[ . 1 . 2]" 1
71 1 4 LYS HG2 1 5 ILE H . . 4.460 3.745 2.580 4.923 0.463 1 0 "[ . 1 . 2]" 1
72 1 4 LYS HG3 1 5 ILE H . . 5.000 3.762 2.240 5.071 0.071 3 0 "[ . 1 . 2]" 1
73 1 4 LYS HG3 1 67 THR HB . . 5.320 5.105 4.383 5.853 0.533 13 1 "[ . 1 + . 2]" 1
74 1 5 ILE H 1 5 ILE HB . . 3.260 2.774 2.544 3.023 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE H 1 5 ILE MD . . 4.520 4.177 3.516 4.480 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE H 1 5 ILE HG12 . . 4.610 4.072 3.354 4.648 0.038 17 0 "[ . 1 . 2]" 1
77 1 5 ILE H 1 5 ILE HG13 . . 3.670 3.057 2.393 3.549 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE H 1 5 ILE MG . . 4.250 3.902 3.724 3.997 . 0 0 "[ . 1 . 2]" 1
79 1 5 ILE H 1 6 GLU H . . 4.950 4.258 3.953 4.549 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE H 1 6 GLU HA . . 5.500 4.914 4.674 5.291 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE H 1 66 VAL QG . . 5.500 4.487 3.507 4.927 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE HA 1 5 ILE MD . . 4.310 3.904 3.762 4.029 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE HA 1 5 ILE HG12 . . 3.580 2.658 2.417 2.930 . 0 0 "[ . 1 . 2]" 1
84 1 5 ILE HA 1 5 ILE HG13 . . 3.720 3.114 2.633 3.347 . 0 0 "[ . 1 . 2]" 1
85 1 5 ILE HA 1 5 ILE MG . . 3.270 2.396 2.288 2.553 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE HA 1 6 GLU H . . 2.820 2.243 2.126 2.321 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE HA 1 6 GLU HA . . 5.010 4.447 4.329 4.505 . 0 0 "[ . 1 . 2]" 1
88 1 5 ILE HA 1 6 GLU QB . . 4.670 4.644 4.374 4.740 0.070 5 0 "[ . 1 . 2]" 1
89 1 5 ILE HA 1 6 GLU HG2 . . 5.150 4.203 3.540 4.937 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE HA 1 6 GLU HG3 . . 5.270 4.822 4.062 5.321 0.051 12 0 "[ . 1 . 2]" 1
91 1 5 ILE HA 1 64 ASP HB3 . . 5.410 4.515 4.109 4.826 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE HA 1 66 VAL HA . . 3.340 2.494 2.052 2.768 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE HA 1 66 VAL QG . . 4.160 2.918 1.948 3.234 . 0 0 "[ . 1 . 2]" 1
94 1 5 ILE HA 1 67 THR H . . 4.430 3.912 3.471 4.323 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE HB 1 5 ILE MD . . 3.230 2.423 2.215 2.627 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE HB 1 6 GLU H . . 5.040 4.129 3.868 4.363 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE HB 1 6 GLU HA . . 4.750 4.547 4.132 4.816 0.066 17 0 "[ . 1 . 2]" 1
98 1 5 ILE MD 1 58 TYR HA . . 4.690 3.727 3.012 4.338 . 0 0 "[ . 1 . 2]" 1
99 1 5 ILE MD 1 58 TYR HB2 . . 4.090 3.401 3.003 3.961 . 0 0 "[ . 1 . 2]" 1
100 1 5 ILE MD 1 58 TYR HB3 . . 3.550 2.237 1.977 2.643 . 0 0 "[ . 1 . 2]" 1
101 1 5 ILE MD 1 58 TYR QD . . 2.890 2.291 2.028 2.969 0.079 15 0 "[ . 1 . 2]" 1
102 1 5 ILE MD 1 58 TYR QE . . 3.860 3.648 3.242 3.930 0.070 12 0 "[ . 1 . 2]" 1
103 1 5 ILE MD 1 59 VAL H . . 4.660 4.273 3.360 4.753 0.093 1 0 "[ . 1 . 2]" 1
104 1 5 ILE MD 1 60 ILE H . . 5.380 5.324 4.895 5.486 0.106 18 0 "[ . 1 . 2]" 1
105 1 5 ILE MD 1 60 ILE HA . . 4.390 4.265 3.761 4.474 0.084 3 0 "[ . 1 . 2]" 1
106 1 5 ILE MD 1 60 ILE MD . . 4.580 3.578 2.745 4.193 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE MD 1 66 VAL QG . . 4.750 2.781 2.184 3.267 . 0 0 "[ . 1 . 2]" 1
108 1 5 ILE HG12 1 6 GLU H . . 4.820 4.554 4.324 4.865 0.045 6 0 "[ . 1 . 2]" 1
109 1 5 ILE HG12 1 66 VAL HA . . 5.010 3.276 2.629 4.338 . 0 0 "[ . 1 . 2]" 1
110 1 5 ILE HG12 1 66 VAL QG . . 3.410 2.071 1.859 2.360 . 0 0 "[ . 1 . 2]" 1
111 1 5 ILE HG13 1 5 ILE MG . . 3.750 3.224 3.098 3.257 . 0 0 "[ . 1 . 2]" 1
112 1 5 ILE HG13 1 6 GLU H . . 5.220 5.143 4.719 5.297 0.077 19 0 "[ . 1 . 2]" 1
113 1 5 ILE HG13 1 58 TYR QD . . 5.440 4.073 3.061 4.871 . 0 0 "[ . 1 . 2]" 1
114 1 5 ILE HG13 1 66 VAL HA . . 5.030 4.210 3.650 4.724 . 0 0 "[ . 1 . 2]" 1
115 1 5 ILE HG13 1 66 VAL QG . . 4.030 2.892 2.007 3.345 . 0 0 "[ . 1 . 2]" 1
116 1 5 ILE HG13 1 67 THR H . . 5.500 4.704 3.971 5.442 . 0 0 "[ . 1 . 2]" 1
117 1 5 ILE MG 1 6 GLU H . . 3.430 2.575 2.274 3.018 . 0 0 "[ . 1 . 2]" 1
118 1 5 ILE MG 1 6 GLU HA . . 4.180 3.258 2.927 3.621 . 0 0 "[ . 1 . 2]" 1
119 1 5 ILE MG 1 6 GLU QB . . 4.750 4.434 4.215 4.844 0.094 19 0 "[ . 1 . 2]" 1
120 1 5 ILE MG 1 6 GLU HG3 . . 5.350 5.166 4.699 5.544 0.194 11 0 "[ . 1 . 2]" 1
121 1 5 ILE MG 1 7 LYS H . . 5.500 5.025 4.595 5.567 0.067 15 0 "[ . 1 . 2]" 1
122 1 5 ILE MG 1 7 LYS QE . . 4.770 3.668 1.996 4.865 0.095 9 0 "[ . 1 . 2]" 1
123 1 5 ILE MG 1 7 LYS QG . . 4.780 4.433 3.531 4.679 . 0 0 "[ . 1 . 2]" 1
124 1 5 ILE MG 1 64 ASP HA . . 4.390 3.598 3.124 4.053 . 0 0 "[ . 1 . 2]" 1
125 1 5 ILE MG 1 64 ASP HB2 . . 3.560 3.536 3.339 3.674 0.114 10 0 "[ . 1 . 2]" 1
126 1 5 ILE MG 1 64 ASP HB3 . . 3.330 2.193 2.077 2.437 . 0 0 "[ . 1 . 2]" 1
127 1 5 ILE MG 1 66 VAL QG . . 4.980 2.475 2.117 3.251 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLU H 1 6 GLU QB . . 3.310 3.285 2.843 3.408 0.098 4 0 "[ . 1 . 2]" 1
129 1 6 GLU H 1 6 GLU HG2 . . 4.310 3.167 2.757 3.896 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLU H 1 6 GLU HG3 . . 3.820 3.249 2.541 3.533 . 0 0 "[ . 1 . 2]" 1
131 1 6 GLU H 1 7 LYS H . . 4.910 4.371 4.269 4.536 . 0 0 "[ . 1 . 2]" 1
132 1 6 GLU H 1 64 ASP HB3 . . 5.330 4.125 3.537 4.640 . 0 0 "[ . 1 . 2]" 1
133 1 6 GLU H 1 66 VAL HA . . 4.220 3.886 3.223 4.266 0.046 3 0 "[ . 1 . 2]" 1
134 1 6 GLU H 1 66 VAL QG . . 4.330 4.043 3.535 4.254 . 0 0 "[ . 1 . 2]" 1
135 1 6 GLU HA 1 6 GLU HG2 . . 3.930 3.552 2.565 3.972 0.042 17 0 "[ . 1 . 2]" 1
136 1 6 GLU HA 1 6 GLU HG3 . . 3.640 3.719 3.411 3.959 0.319 4 0 "[ . 1 . 2]" 1
137 1 6 GLU HA 1 7 LYS H . . 2.790 2.591 2.502 2.710 . 0 0 "[ . 1 . 2]" 1
138 1 6 GLU HA 1 7 LYS HA . . 5.040 4.451 4.284 4.568 . 0 0 "[ . 1 . 2]" 1
139 1 6 GLU HA 1 7 LYS QD . . 3.970 3.269 2.572 3.940 . 0 0 "[ . 1 . 2]" 1
140 1 6 GLU HA 1 7 LYS QG . . 4.830 4.018 3.056 4.646 . 0 0 "[ . 1 . 2]" 1
141 1 6 GLU QB 1 7 LYS H . . 3.190 2.100 1.897 2.276 . 0 0 "[ . 1 . 2]" 1
142 1 6 GLU QB 1 7 LYS HA . . 4.260 4.297 4.078 4.364 0.104 15 0 "[ . 1 . 2]" 1
143 1 6 GLU QB 1 8 PRO HD3 . . 4.590 3.656 2.729 4.283 . 0 0 "[ . 1 . 2]" 1
144 1 6 GLU HG2 1 7 LYS H . . 5.090 4.568 4.266 4.809 . 0 0 "[ . 1 . 2]" 1
145 1 6 GLU HG2 1 8 PRO HD3 . . 4.980 4.492 3.704 5.823 0.843 2 4 "[ + .- 1 *. *2]" 1
146 1 6 GLU HG3 1 7 LYS H . . 4.650 3.880 3.176 4.934 0.284 19 0 "[ . 1 . 2]" 1
147 1 7 LYS H 1 7 LYS QB . . 3.110 2.773 2.487 3.202 0.092 12 0 "[ . 1 . 2]" 1
148 1 7 LYS H 1 7 LYS QG . . 4.250 3.203 2.121 3.757 . 0 0 "[ . 1 . 2]" 1
149 1 7 LYS H 1 8 PRO HD2 . . 5.500 4.481 4.152 4.708 . 0 0 "[ . 1 . 2]" 1
150 1 7 LYS H 1 8 PRO HD3 . . 5.020 3.703 3.318 4.043 . 0 0 "[ . 1 . 2]" 1
151 1 7 LYS HA 1 7 LYS QD . . 4.100 3.093 2.064 3.903 . 0 0 "[ . 1 . 2]" 1
152 1 7 LYS HA 1 7 LYS QE . . 5.500 4.502 3.492 5.202 . 0 0 "[ . 1 . 2]" 1
153 1 7 LYS HA 1 7 LYS QG . . 3.760 2.719 2.296 3.276 . 0 0 "[ . 1 . 2]" 1
154 1 7 LYS HA 1 8 PRO HD2 . . 2.910 2.171 1.995 2.443 . 0 0 "[ . 1 . 2]" 1
155 1 7 LYS HA 1 8 PRO HD3 . . 3.150 2.641 2.253 2.880 . 0 0 "[ . 1 . 2]" 1
156 1 7 LYS HA 1 8 PRO HG2 . . 4.970 4.345 4.160 4.582 . 0 0 "[ . 1 . 2]" 1
157 1 7 LYS HA 1 8 PRO HG3 . . 4.980 4.612 4.402 4.757 . 0 0 "[ . 1 . 2]" 1
158 1 7 LYS HA 1 64 ASP HA . . 3.680 3.022 2.534 3.462 . 0 0 "[ . 1 . 2]" 1
159 1 7 LYS HA 1 65 LEU H . . 3.950 3.101 2.777 3.368 . 0 0 "[ . 1 . 2]" 1
160 1 7 LYS HA 1 65 LEU HB2 . . 5.330 4.570 3.722 4.888 . 0 0 "[ . 1 . 2]" 1
161 1 7 LYS QB 1 7 LYS QD . . 2.400 2.243 2.041 2.376 . 0 0 "[ . 1 . 2]" 1
162 1 7 LYS QD 1 64 ASP HA . . 4.640 3.291 2.096 4.341 . 0 0 "[ . 1 . 2]" 1
163 1 7 LYS QG 1 64 ASP HA . . 5.170 3.208 2.099 4.605 . 0 0 "[ . 1 . 2]" 1
164 1 8 PRO HB2 1 9 THR H . . 4.210 2.791 2.360 3.981 . 0 0 "[ . 1 . 2]" 1
165 1 8 PRO HB2 1 13 LEU H . . 4.730 4.563 4.113 4.808 0.078 19 0 "[ . 1 . 2]" 1
166 1 8 PRO HB2 1 13 LEU QD . . 3.790 2.789 2.131 3.508 . 0 0 "[ . 1 . 2]" 1
167 1 8 PRO HB2 1 65 LEU HB2 . . 4.900 4.833 4.612 5.244 0.344 16 0 "[ . 1 . 2]" 1
168 1 8 PRO HB2 1 65 LEU QD . . 4.180 3.636 3.252 3.915 . 0 0 "[ . 1 . 2]" 1
169 1 8 PRO HB3 1 13 LEU QD . . 4.730 3.742 3.123 4.463 . 0 0 "[ . 1 . 2]" 1
170 1 8 PRO HD2 1 13 LEU QD . . 5.360 3.670 3.084 4.021 . 0 0 "[ . 1 . 2]" 1
171 1 8 PRO HD2 1 42 TYR QD . . 4.970 4.356 4.115 4.554 . 0 0 "[ . 1 . 2]" 1
172 1 8 PRO HD2 1 64 ASP HA . . 4.440 3.913 3.434 4.513 0.073 16 0 "[ . 1 . 2]" 1
173 1 8 PRO HD2 1 65 LEU H . . 4.030 2.893 2.443 3.597 . 0 0 "[ . 1 . 2]" 1
174 1 8 PRO HD2 1 65 LEU HB2 . . 4.080 2.884 2.413 3.158 . 0 0 "[ . 1 . 2]" 1
175 1 8 PRO HD2 1 65 LEU HB3 . . 4.410 3.239 2.833 3.899 . 0 0 "[ . 1 . 2]" 1
176 1 8 PRO HD2 1 65 LEU QD . . 5.110 3.771 3.162 4.002 . 0 0 "[ . 1 . 2]" 1
177 1 8 PRO HD3 1 42 TYR QD . . 5.240 5.211 4.873 5.331 0.091 20 0 "[ . 1 . 2]" 1
178 1 8 PRO HD3 1 64 ASP HA . . 4.360 4.405 4.201 4.440 0.080 11 0 "[ . 1 . 2]" 1
179 1 8 PRO HD3 1 65 LEU H . . 3.740 2.874 2.763 3.061 . 0 0 "[ . 1 . 2]" 1
180 1 8 PRO HD3 1 65 LEU HB2 . . 3.730 2.960 2.378 3.393 . 0 0 "[ . 1 . 2]" 1
181 1 8 PRO HD3 1 65 LEU HB3 . . 3.770 2.382 2.086 3.201 . 0 0 "[ . 1 . 2]" 1
182 1 8 PRO HD3 1 65 LEU QD . . 4.830 3.224 2.970 3.684 . 0 0 "[ . 1 . 2]" 1
183 1 8 PRO HG2 1 13 LEU QD . . 3.420 2.130 1.838 2.672 . 0 0 "[ . 1 . 2]" 1
184 1 8 PRO HG2 1 13 LEU HG . . 3.530 3.338 2.764 3.625 0.095 4 0 "[ . 1 . 2]" 1
185 1 8 PRO HG2 1 42 TYR QD . . 4.540 4.101 3.811 4.520 . 0 0 "[ . 1 . 2]" 1
186 1 8 PRO HG2 1 65 LEU H . . 5.230 4.588 4.217 5.008 . 0 0 "[ . 1 . 2]" 1
187 1 8 PRO HG2 1 65 LEU HA . . 5.270 5.331 5.278 5.351 0.081 4 0 "[ . 1 . 2]" 1
188 1 8 PRO HG2 1 65 LEU HB2 . . 3.580 2.962 2.739 3.127 . 0 0 "[ . 1 . 2]" 1
189 1 8 PRO HG2 1 65 LEU HB3 . . 3.980 3.799 2.854 4.048 0.068 18 0 "[ . 1 . 2]" 1
190 1 8 PRO HG2 1 65 LEU QD . . 3.840 3.052 2.073 3.384 . 0 0 "[ . 1 . 2]" 1
191 1 8 PRO HG3 1 13 LEU QD . . 4.170 2.715 2.323 3.691 . 0 0 "[ . 1 . 2]" 1
192 1 8 PRO HG3 1 13 LEU HG . . 5.210 4.358 3.701 5.121 . 0 0 "[ . 1 . 2]" 1
193 1 8 PRO HG3 1 65 LEU H . . 5.500 4.160 3.883 4.545 . 0 0 "[ . 1 . 2]" 1
194 1 8 PRO HG3 1 65 LEU HB2 . . 4.160 2.339 2.077 3.600 . 0 0 "[ . 1 . 2]" 1
195 1 8 PRO HG3 1 65 LEU QD . . 3.420 2.051 1.925 2.208 . 0 0 "[ . 1 . 2]" 1
196 1 9 THR H 1 9 THR MG . . 3.130 2.005 1.740 3.189 0.059 4 0 "[ . 1 . 2]" 1
197 1 9 THR H 1 10 PRO QD . . 4.920 4.429 3.888 4.490 . 0 0 "[ . 1 . 2]" 1
198 1 9 THR HA 1 9 THR MG . . 3.110 3.096 2.367 3.227 0.117 12 0 "[ . 1 . 2]" 1
199 1 9 THR HA 1 10 PRO QD . . 2.730 2.123 2.042 2.169 . 0 0 "[ . 1 . 2]" 1
200 1 9 THR HA 1 10 PRO HG2 . . 4.480 4.493 4.390 4.576 0.096 11 0 "[ . 1 . 2]" 1
201 1 9 THR HA 1 10 PRO HG3 . . 5.060 4.596 4.432 4.652 . 0 0 "[ . 1 . 2]" 1
202 1 9 THR HA 1 11 GLU H . . 5.130 4.045 3.718 4.294 . 0 0 "[ . 1 . 2]" 1
203 1 9 THR HA 1 12 LYS H . . 5.250 5.026 4.561 5.298 0.048 19 0 "[ . 1 . 2]" 1
204 1 9 THR MG 1 10 PRO QD . . 4.130 3.790 3.314 4.013 . 0 0 "[ . 1 . 2]" 1
205 1 9 THR MG 1 11 GLU H . . 4.820 3.382 2.649 4.529 . 0 0 "[ . 1 . 2]" 1
206 1 9 THR MG 1 11 GLU HB2 . . 4.340 3.160 2.213 4.416 0.076 11 0 "[ . 1 . 2]" 1
207 1 9 THR MG 1 12 LYS H . . 4.490 2.405 1.640 4.278 . 0 0 "[ . 1 . 2]" 1
208 1 9 THR MG 1 12 LYS HB2 . . 3.900 2.635 2.099 4.002 0.102 17 0 "[ . 1 . 2]" 1
209 1 10 PRO HA 1 13 LEU H . . 4.000 3.388 2.895 3.788 . 0 0 "[ . 1 . 2]" 1
210 1 10 PRO HA 1 13 LEU HB2 . . 3.510 2.537 2.082 2.763 . 0 0 "[ . 1 . 2]" 1
211 1 10 PRO HA 1 13 LEU HB3 . . 4.190 4.103 3.755 4.263 0.073 13 0 "[ . 1 . 2]" 1
212 1 10 PRO HA 1 13 LEU QD . . 3.470 2.611 1.927 3.269 . 0 0 "[ . 1 . 2]" 1
213 1 10 PRO HA 1 13 LEU HG . . 4.270 3.671 3.077 4.337 0.067 4 0 "[ . 1 . 2]" 1
214 1 10 PRO HB2 1 11 GLU H . . 4.350 3.662 3.441 4.017 . 0 0 "[ . 1 . 2]" 1
215 1 10 PRO HB2 1 13 LEU QD . . 5.050 4.792 4.035 5.445 0.395 17 0 "[ . 1 . 2]" 1
216 1 10 PRO QD 1 11 GLU H . . 3.190 2.868 2.657 3.204 0.014 4 0 "[ . 1 . 2]" 1
217 1 10 PRO HG3 1 11 GLU H . . 4.470 4.224 3.996 4.532 0.062 7 0 "[ . 1 . 2]" 1
218 1 11 GLU H 1 11 GLU HB2 . . 3.100 2.356 1.941 2.685 . 0 0 "[ . 1 . 2]" 1
219 1 11 GLU H 1 11 GLU HB3 . . 3.580 3.527 3.155 3.632 0.052 10 0 "[ . 1 . 2]" 1
220 1 11 GLU H 1 11 GLU HG2 . . 4.280 3.294 2.331 4.337 0.057 20 0 "[ . 1 . 2]" 1
221 1 11 GLU H 1 11 GLU HG3 . . 4.380 2.852 2.157 4.006 . 0 0 "[ . 1 . 2]" 1
222 1 11 GLU H 1 12 LYS H . . 3.330 2.795 2.570 3.007 . 0 0 "[ . 1 . 2]" 1
223 1 11 GLU H 1 13 LEU H . . 4.900 4.084 3.791 4.280 . 0 0 "[ . 1 . 2]" 1
224 1 11 GLU HA 1 11 GLU HB3 . . 2.880 2.580 2.387 2.944 0.064 12 0 "[ . 1 . 2]" 1
225 1 11 GLU HA 1 11 GLU HG2 . . 3.240 2.506 2.178 3.212 . 0 0 "[ . 1 . 2]" 1
226 1 11 GLU HA 1 11 GLU HG3 . . 3.590 3.235 2.227 3.670 0.080 4 0 "[ . 1 . 2]" 1
227 1 11 GLU HA 1 13 LEU H . . 4.980 4.356 4.126 4.610 . 0 0 "[ . 1 . 2]" 1
228 1 11 GLU HA 1 14 LYS H . . 3.800 3.426 3.166 3.861 0.061 4 0 "[ . 1 . 2]" 1
229 1 11 GLU HA 1 14 LYS QD . . 4.560 3.588 2.765 4.307 . 0 0 "[ . 1 . 2]" 1
230 1 11 GLU HA 1 14 LYS QE . . 5.290 4.466 2.398 5.375 0.085 12 0 "[ . 1 . 2]" 1
231 1 11 GLU HA 1 15 GLU H . . 4.850 4.549 4.139 4.894 0.044 8 0 "[ . 1 . 2]" 1
232 1 11 GLU HB2 1 11 GLU HG3 . . 2.960 2.426 2.202 2.910 . 0 0 "[ . 1 . 2]" 1
233 1 11 GLU HB2 1 12 LYS H . . 3.480 2.552 2.080 3.058 . 0 0 "[ . 1 . 2]" 1
234 1 11 GLU HB3 1 11 GLU HG2 . . 2.890 2.660 2.281 3.024 0.134 19 0 "[ . 1 . 2]" 1
235 1 11 GLU HB3 1 12 LYS H . . 3.890 3.269 2.421 3.695 . 0 0 "[ . 1 . 2]" 1
236 1 11 GLU HG2 1 12 LYS H . . 4.900 4.823 4.303 5.057 0.157 20 0 "[ . 1 . 2]" 1
237 1 11 GLU HG3 1 12 LYS H . . 5.010 4.543 4.180 5.050 0.040 2 0 "[ . 1 . 2]" 1
238 1 12 LYS H 1 12 LYS HB2 . . 3.070 2.390 2.147 2.597 . 0 0 "[ . 1 . 2]" 1
239 1 12 LYS H 1 12 LYS HB3 . . 2.850 2.647 2.508 2.811 . 0 0 "[ . 1 . 2]" 1
240 1 12 LYS H 1 12 LYS HG2 . . 4.760 4.615 4.470 4.695 . 0 0 "[ . 1 . 2]" 1
241 1 12 LYS H 1 12 LYS HG3 . . 4.690 4.501 4.338 4.632 . 0 0 "[ . 1 . 2]" 1
242 1 12 LYS H 1 13 LEU H . . 3.310 2.751 2.554 2.928 . 0 0 "[ . 1 . 2]" 1
243 1 12 LYS H 1 13 LEU QD . . 5.500 4.349 3.692 4.921 . 0 0 "[ . 1 . 2]" 1
244 1 12 LYS H 1 15 GLU H . . 5.260 4.931 4.746 5.125 . 0 0 "[ . 1 . 2]" 1
245 1 12 LYS HA 1 12 LYS HB2 . . 2.920 2.546 2.460 2.638 . 0 0 "[ . 1 . 2]" 1
246 1 12 LYS HA 1 12 LYS QD . . 3.690 2.596 2.031 3.752 0.062 13 0 "[ . 1 . 2]" 1
247 1 12 LYS HA 1 12 LYS QE . . 4.740 4.006 3.064 4.803 0.063 9 0 "[ . 1 . 2]" 1
248 1 12 LYS HA 1 12 LYS HG2 . . 3.850 3.672 2.433 3.858 0.008 2 0 "[ . 1 . 2]" 1
249 1 12 LYS HA 1 12 LYS HG3 . . 3.480 2.812 2.332 3.443 . 0 0 "[ . 1 . 2]" 1
250 1 12 LYS HA 1 15 GLU H . . 3.750 3.358 3.071 3.505 . 0 0 "[ . 1 . 2]" 1
251 1 12 LYS HA 1 15 GLU HB2 . . 3.330 3.016 2.371 3.384 0.054 7 0 "[ . 1 . 2]" 1
252 1 12 LYS HA 1 15 GLU HG2 . . 4.120 4.040 2.746 4.339 0.219 5 0 "[ . 1 . 2]" 1
253 1 12 LYS HA 1 15 GLU HG3 . . 4.280 2.615 2.231 3.967 . 0 0 "[ . 1 . 2]" 1
254 1 12 LYS HA 1 16 LEU QD . . 5.290 4.103 3.490 4.646 . 0 0 "[ . 1 . 2]" 1
255 1 12 LYS HB2 1 12 LYS QE . . 4.780 3.939 3.236 4.195 . 0 0 "[ . 1 . 2]" 1
256 1 12 LYS HB3 1 12 LYS QE . . 4.730 4.180 2.323 4.630 . 0 0 "[ . 1 . 2]" 1
257 1 12 LYS HB3 1 13 LEU H . . 3.330 2.688 2.448 3.049 . 0 0 "[ . 1 . 2]" 1
258 1 12 LYS HB3 1 13 LEU HA . . 5.030 4.269 4.134 4.598 . 0 0 "[ . 1 . 2]" 1
259 1 12 LYS QE 1 12 LYS HG2 . . 3.420 2.593 2.087 3.326 . 0 0 "[ . 1 . 2]" 1
260 1 12 LYS QE 1 16 LEU QD . . 4.110 2.601 1.987 3.766 . 0 0 "[ . 1 . 2]" 1
261 1 12 LYS HG2 1 13 LEU HA . . 5.500 5.087 4.389 5.563 0.063 18 0 "[ . 1 . 2]" 1
262 1 12 LYS HG2 1 13 LEU QD . . 5.500 4.179 3.268 5.246 . 0 0 "[ . 1 . 2]" 1
263 1 12 LYS HG2 1 16 LEU QD . . 4.150 3.091 2.235 3.581 . 0 0 "[ . 1 . 2]" 1
264 1 12 LYS HG3 1 13 LEU HA . . 5.500 4.362 3.752 5.571 0.071 13 0 "[ . 1 . 2]" 1
265 1 12 LYS HG3 1 13 LEU QD . . 5.500 4.166 2.973 5.330 . 0 0 "[ . 1 . 2]" 1
266 1 12 LYS HG3 1 16 LEU QD . . 3.660 2.525 2.009 3.669 0.009 13 0 "[ . 1 . 2]" 1
267 1 13 LEU H 1 13 LEU HB2 . . 3.190 2.318 2.165 2.572 . 0 0 "[ . 1 . 2]" 1
268 1 13 LEU H 1 13 LEU HB3 . . 3.700 3.543 3.465 3.659 . 0 0 "[ . 1 . 2]" 1
269 1 13 LEU H 1 13 LEU QD . . 4.260 2.737 2.268 3.182 . 0 0 "[ . 1 . 2]" 1
270 1 13 LEU H 1 15 GLU H . . 5.160 4.187 3.953 4.437 . 0 0 "[ . 1 . 2]" 1
271 1 13 LEU H 1 16 LEU QD . . 5.500 4.219 3.683 4.518 . 0 0 "[ . 1 . 2]" 1
272 1 13 LEU H 1 18 VAL QG . . 5.500 4.938 4.451 5.126 . 0 0 "[ . 1 . 2]" 1
273 1 13 LEU HA 1 13 LEU QD . . 3.030 2.105 1.961 2.601 . 0 0 "[ . 1 . 2]" 1
274 1 13 LEU HA 1 13 LEU HG . . 3.670 3.250 2.446 3.735 0.065 14 0 "[ . 1 . 2]" 1
275 1 13 LEU HA 1 15 GLU H . . 5.500 4.310 3.993 4.591 . 0 0 "[ . 1 . 2]" 1
276 1 13 LEU HA 1 16 LEU H . . 4.130 3.403 3.103 3.740 . 0 0 "[ . 1 . 2]" 1
277 1 13 LEU HA 1 16 LEU HB2 . . 3.590 2.430 2.225 2.691 . 0 0 "[ . 1 . 2]" 1
278 1 13 LEU HA 1 16 LEU HB3 . . 4.170 3.886 3.380 4.228 0.058 13 0 "[ . 1 . 2]" 1
279 1 13 LEU HA 1 16 LEU QD . . 3.950 2.621 2.236 2.961 . 0 0 "[ . 1 . 2]" 1
280 1 13 LEU HA 1 17 SER H . . 5.500 4.862 4.200 5.226 . 0 0 "[ . 1 . 2]" 1
281 1 13 LEU HA 1 18 VAL H . . 4.810 4.531 3.882 4.878 0.068 12 0 "[ . 1 . 2]" 1
282 1 13 LEU HA 1 18 VAL QG . . 3.590 2.778 2.222 2.975 . 0 0 "[ . 1 . 2]" 1
283 1 13 LEU HA 1 65 LEU QD . . 5.500 4.582 4.185 4.861 . 0 0 "[ . 1 . 2]" 1
284 1 13 LEU HB2 1 13 LEU QD . . 3.260 2.336 1.999 2.522 . 0 0 "[ . 1 . 2]" 1
285 1 13 LEU HB2 1 14 LYS H . . 3.410 3.016 2.653 3.456 0.046 11 0 "[ . 1 . 2]" 1
286 1 13 LEU HB2 1 14 LYS HA . . 5.210 4.759 4.462 5.140 . 0 0 "[ . 1 . 2]" 1
287 1 13 LEU HB2 1 18 VAL QG . . 4.920 4.174 3.502 4.540 . 0 0 "[ . 1 . 2]" 1
288 1 13 LEU HB3 1 14 LYS H . . 3.960 3.690 3.406 3.935 . 0 0 "[ . 1 . 2]" 1
289 1 13 LEU HB3 1 14 LYS HA . . 5.220 4.421 4.097 4.765 . 0 0 "[ . 1 . 2]" 1
290 1 13 LEU HB3 1 15 GLU H . . 5.500 5.560 5.255 5.588 0.088 4 0 "[ . 1 . 2]" 1
291 1 13 LEU HB3 1 18 VAL QG . . 4.150 2.899 2.096 3.414 . 0 0 "[ . 1 . 2]" 1
292 1 13 LEU QD 1 14 LYS H . . 5.380 4.177 4.016 4.402 . 0 0 "[ . 1 . 2]" 1
293 1 13 LEU QD 1 16 LEU QD . . 3.880 2.362 2.062 3.222 . 0 0 "[ . 1 . 2]" 1
294 1 13 LEU QD 1 18 VAL QG . . 2.860 2.077 1.926 2.531 . 0 0 "[ . 1 . 2]" 1
295 1 13 LEU QD 1 42 TYR HA . . 5.500 4.141 3.840 4.819 . 0 0 "[ . 1 . 2]" 1
296 1 13 LEU QD 1 42 TYR HB2 . . 4.810 2.780 2.403 3.533 . 0 0 "[ . 1 . 2]" 1
297 1 13 LEU QD 1 42 TYR HB3 . . 5.350 3.568 3.138 4.280 . 0 0 "[ . 1 . 2]" 1
298 1 13 LEU QD 1 42 TYR QD . . 4.090 2.625 2.315 3.189 . 0 0 "[ . 1 . 2]" 1
299 1 13 LEU QD 1 65 LEU HB2 . . 5.120 3.113 2.724 3.887 . 0 0 "[ . 1 . 2]" 1
300 1 13 LEU QD 1 65 LEU QD . . 3.680 2.020 1.735 2.356 . 0 0 "[ . 1 . 2]" 1
301 1 13 LEU HG 1 18 VAL QG . . 5.120 4.053 2.607 4.637 . 0 0 "[ . 1 . 2]" 1
302 1 14 LYS H 1 14 LYS HB2 . . 2.810 2.384 2.086 2.776 . 0 0 "[ . 1 . 2]" 1
303 1 14 LYS H 1 14 LYS QD . . 4.640 3.276 2.442 4.222 . 0 0 "[ . 1 . 2]" 1
304 1 14 LYS H 1 14 LYS HG2 . . 4.300 3.507 2.255 4.358 0.058 5 0 "[ . 1 . 2]" 1
305 1 14 LYS H 1 14 LYS HG3 . . 4.010 3.473 2.120 4.090 0.080 16 0 "[ . 1 . 2]" 1
306 1 14 LYS H 1 15 GLU H . . 3.250 2.577 2.289 2.794 . 0 0 "[ . 1 . 2]" 1
307 1 14 LYS HA 1 14 LYS HB3 . . 2.830 2.567 2.305 2.789 . 0 0 "[ . 1 . 2]" 1
308 1 14 LYS HA 1 14 LYS QD . . 3.750 2.959 2.246 3.649 . 0 0 "[ . 1 . 2]" 1
309 1 14 LYS HA 1 14 LYS QE . . 5.120 3.846 2.080 5.060 . 0 0 "[ . 1 . 2]" 1
310 1 14 LYS HA 1 14 LYS HG2 . . 3.760 3.152 2.304 3.566 . 0 0 "[ . 1 . 2]" 1
311 1 14 LYS HA 1 14 LYS HG3 . . 3.600 2.845 2.151 3.829 0.229 13 0 "[ . 1 . 2]" 1
312 1 14 LYS HA 1 18 VAL H . . 4.510 4.281 4.064 4.540 0.030 16 0 "[ . 1 . 2]" 1
313 1 14 LYS HA 1 18 VAL QG . . 5.500 4.426 4.189 4.629 . 0 0 "[ . 1 . 2]" 1
314 1 14 LYS HB2 1 15 GLU H . . 3.280 2.773 2.426 3.321 0.041 16 0 "[ . 1 . 2]" 1
315 1 14 LYS HB3 1 14 LYS QE . . 4.920 3.802 2.170 4.535 . 0 0 "[ . 1 . 2]" 1
316 1 14 LYS HB3 1 15 GLU H . . 4.210 3.426 2.918 3.809 . 0 0 "[ . 1 . 2]" 1
317 1 14 LYS HB3 1 15 GLU HA . . 5.140 4.208 3.562 4.747 . 0 0 "[ . 1 . 2]" 1
318 1 14 LYS QD 1 14 LYS HG2 . . 2.570 2.307 2.129 2.469 . 0 0 "[ . 1 . 2]" 1
319 1 14 LYS HG2 1 15 GLU H . . 5.470 4.849 3.978 5.514 0.044 16 0 "[ . 1 . 2]" 1
320 1 15 GLU H 1 15 GLU HB2 . . 2.910 2.702 2.487 2.917 0.007 8 0 "[ . 1 . 2]" 1
321 1 15 GLU H 1 15 GLU HG2 . . 3.840 2.729 2.289 3.423 . 0 0 "[ . 1 . 2]" 1
322 1 15 GLU H 1 15 GLU HG3 . . 3.810 2.569 1.983 3.743 . 0 0 "[ . 1 . 2]" 1
323 1 15 GLU H 1 16 LEU H . . 3.390 2.678 2.461 2.886 . 0 0 "[ . 1 . 2]" 1
324 1 15 GLU H 1 16 LEU QD . . 5.500 4.559 3.945 4.950 . 0 0 "[ . 1 . 2]" 1
325 1 15 GLU HA 1 15 GLU HG2 . . 3.640 2.627 2.345 3.280 . 0 0 "[ . 1 . 2]" 1
326 1 15 GLU HA 1 15 GLU HG3 . . 3.670 3.553 3.230 3.748 0.078 4 0 "[ . 1 . 2]" 1
327 1 15 GLU HB2 1 16 LEU H . . 3.390 2.492 2.171 3.040 . 0 0 "[ . 1 . 2]" 1
328 1 15 GLU HB2 1 16 LEU HA . . 5.310 4.161 3.328 4.654 . 0 0 "[ . 1 . 2]" 1
329 1 15 GLU HB2 1 17 SER H . . 5.100 4.772 4.545 5.185 0.085 16 0 "[ . 1 . 2]" 1
330 1 15 GLU HG2 1 16 LEU H . . 4.460 4.547 4.338 4.860 0.400 11 0 "[ . 1 . 2]" 1
331 1 15 GLU HG3 1 16 LEU H . . 4.990 4.159 3.652 5.061 0.071 4 0 "[ . 1 . 2]" 1
332 1 15 GLU HG3 1 16 LEU QD . . 5.500 4.986 4.401 5.273 . 0 0 "[ . 1 . 2]" 1
333 1 16 LEU H 1 16 LEU HB2 . . 3.010 2.259 2.040 2.478 . 0 0 "[ . 1 . 2]" 1
334 1 16 LEU H 1 16 LEU HB3 . . 3.490 3.482 3.354 3.570 0.080 13 0 "[ . 1 . 2]" 1
335 1 16 LEU H 1 16 LEU QD . . 4.280 2.861 2.338 3.162 . 0 0 "[ . 1 . 2]" 1
336 1 16 LEU H 1 17 SER H . . 3.390 2.866 2.645 3.250 . 0 0 "[ . 1 . 2]" 1
337 1 16 LEU H 1 18 VAL H . . 4.940 4.455 3.980 4.771 . 0 0 "[ . 1 . 2]" 1
338 1 16 LEU H 1 18 VAL QG . . 4.750 3.947 3.548 4.476 . 0 0 "[ . 1 . 2]" 1
339 1 16 LEU HA 1 16 LEU QD . . 2.900 2.092 2.042 2.183 . 0 0 "[ . 1 . 2]" 1
340 1 16 LEU HA 1 18 VAL H . . 4.950 4.836 4.553 5.036 0.086 6 0 "[ . 1 . 2]" 1
341 1 16 LEU HA 1 18 VAL QG . . 5.020 4.326 4.018 5.032 0.012 6 0 "[ . 1 . 2]" 1
342 1 16 LEU HA 1 21 TRP HE1 . . 5.400 4.853 4.348 5.419 0.019 16 0 "[ . 1 . 2]" 1
343 1 16 LEU HA 1 21 TRP HZ2 . . 4.250 3.980 3.523 4.335 0.085 16 0 "[ . 1 . 2]" 1
344 1 16 LEU HB2 1 17 SER H . . 3.950 3.441 2.918 3.939 . 0 0 "[ . 1 . 2]" 1
345 1 16 LEU HB2 1 18 VAL H . . 4.110 3.609 3.257 3.931 . 0 0 "[ . 1 . 2]" 1
346 1 16 LEU HB2 1 18 VAL QG . . 3.640 2.444 2.115 2.995 . 0 0 "[ . 1 . 2]" 1
347 1 16 LEU HB2 1 21 TRP HH2 . . 5.160 4.784 4.273 5.063 . 0 0 "[ . 1 . 2]" 1
348 1 16 LEU HB2 1 21 TRP HZ2 . . 4.260 4.085 3.760 4.320 0.060 11 0 "[ . 1 . 2]" 1
349 1 16 LEU HB3 1 16 LEU QD . . 3.160 2.228 2.044 2.464 . 0 0 "[ . 1 . 2]" 1
350 1 16 LEU HB3 1 17 SER H . . 4.670 3.833 2.301 4.255 . 0 0 "[ . 1 . 2]" 1
351 1 16 LEU HB3 1 18 VAL H . . 4.520 3.670 3.171 4.380 . 0 0 "[ . 1 . 2]" 1
352 1 16 LEU HB3 1 18 VAL QG . . 3.680 2.491 1.986 3.667 . 0 0 "[ . 1 . 2]" 1
353 1 16 LEU HB3 1 21 TRP HE1 . . 4.910 4.229 3.877 4.542 . 0 0 "[ . 1 . 2]" 1
354 1 16 LEU HB3 1 21 TRP HH2 . . 4.990 3.603 3.316 3.990 . 0 0 "[ . 1 . 2]" 1
355 1 16 LEU HB3 1 21 TRP HZ2 . . 2.950 2.479 2.142 2.711 . 0 0 "[ . 1 . 2]" 1
356 1 16 LEU QD 1 17 SER H . . 5.500 4.323 3.872 4.431 . 0 0 "[ . 1 . 2]" 1
357 1 16 LEU QD 1 18 VAL QG . . 3.980 2.877 2.508 3.361 . 0 0 "[ . 1 . 2]" 1
358 1 16 LEU QD 1 21 TRP HH2 . . 3.510 2.743 1.948 3.454 . 0 0 "[ . 1 . 2]" 1
359 1 16 LEU QD 1 21 TRP HZ2 . . 3.840 3.083 2.295 3.516 . 0 0 "[ . 1 . 2]" 1
360 1 17 SER H 1 17 SER HA . . 2.710 2.239 2.172 2.392 . 0 0 "[ . 1 . 2]" 1
361 1 17 SER H 1 17 SER QB . . 3.910 3.287 2.919 3.479 . 0 0 "[ . 1 . 2]" 1
362 1 17 SER H 1 18 VAL H . . 3.410 2.663 1.727 2.913 . 0 0 "[ . 1 . 2]" 1
363 1 17 SER H 1 18 VAL QG . . 4.870 3.533 2.501 3.829 . 0 0 "[ . 1 . 2]" 1
364 1 17 SER H 1 19 GLU H . . 5.170 4.741 4.379 5.119 . 0 0 "[ . 1 . 2]" 1
365 1 17 SER H 1 21 TRP HZ2 . . 5.500 5.461 3.798 5.580 0.080 2 0 "[ . 1 . 2]" 1
366 1 17 SER HA 1 18 VAL H . . 3.260 2.814 2.645 3.044 . 0 0 "[ . 1 . 2]" 1
367 1 17 SER HA 1 18 VAL QG . . 4.960 4.238 4.102 4.405 . 0 0 "[ . 1 . 2]" 1
368 1 17 SER HA 1 19 GLU H . . 3.910 3.423 3.096 3.960 0.050 16 0 "[ . 1 . 2]" 1
369 1 17 SER HA 1 20 LYS QG . . 5.410 3.570 3.053 4.659 . 0 0 "[ . 1 . 2]" 1
370 1 17 SER QB 1 18 VAL H . . 4.830 3.959 3.845 4.140 . 0 0 "[ . 1 . 2]" 1
371 1 17 SER QB 1 20 LYS H . . 4.270 3.570 3.277 3.820 . 0 0 "[ . 1 . 2]" 1
372 1 17 SER QB 1 20 LYS HB2 . . 4.150 3.106 2.639 4.423 0.273 6 0 "[ . 1 . 2]" 1
373 1 17 SER QB 1 20 LYS HB3 . . 4.490 4.072 2.816 4.354 . 0 0 "[ . 1 . 2]" 1
374 1 17 SER QB 1 20 LYS QD . . 4.440 2.558 1.947 3.714 . 0 0 "[ . 1 . 2]" 1
375 1 17 SER QB 1 20 LYS QE . . 4.340 2.992 1.811 3.990 . 0 0 "[ . 1 . 2]" 1
376 1 17 SER QB 1 20 LYS QG . . 4.150 2.331 1.939 2.664 . 0 0 "[ . 1 . 2]" 1
377 1 17 SER QB 1 21 TRP HE1 . . 4.440 3.252 2.734 3.941 . 0 0 "[ . 1 . 2]" 1
378 1 18 VAL H 1 18 VAL HB . . 3.340 2.589 2.403 3.123 . 0 0 "[ . 1 . 2]" 1
379 1 18 VAL H 1 18 VAL QG . . 3.200 1.922 1.830 2.095 . 0 0 "[ . 1 . 2]" 1
380 1 18 VAL H 1 19 GLU H . . 3.510 2.862 2.616 3.036 . 0 0 "[ . 1 . 2]" 1
381 1 18 VAL H 1 19 GLU HA . . 5.500 5.448 5.264 5.572 0.072 11 0 "[ . 1 . 2]" 1
382 1 18 VAL H 1 20 LYS H . . 5.320 4.274 4.039 4.420 . 0 0 "[ . 1 . 2]" 1
383 1 18 VAL HA 1 18 VAL HB . . 3.020 3.034 3.000 3.048 0.028 3 0 "[ . 1 . 2]" 1
384 1 18 VAL HA 1 18 VAL QG . . 3.140 2.140 2.062 2.191 . 0 0 "[ . 1 . 2]" 1
385 1 18 VAL HA 1 20 LYS H . . 4.400 3.670 3.435 3.920 . 0 0 "[ . 1 . 2]" 1
386 1 18 VAL HA 1 21 TRP H . . 4.240 3.249 2.895 3.853 . 0 0 "[ . 1 . 2]" 1
387 1 18 VAL HA 1 21 TRP HB2 . . 4.760 3.138 2.708 3.647 . 0 0 "[ . 1 . 2]" 1
388 1 18 VAL HA 1 21 TRP HD1 . . 4.230 3.454 3.156 3.954 . 0 0 "[ . 1 . 2]" 1
389 1 18 VAL HA 1 21 TRP HE1 . . 4.630 3.542 3.181 3.892 . 0 0 "[ . 1 . 2]" 1
390 1 18 VAL HA 1 85 HIS HB3 . . 4.940 3.967 3.740 4.217 . 0 0 "[ . 1 . 2]" 1
391 1 18 VAL HA 1 85 HIS HD2 . . 5.350 5.077 4.546 5.411 0.061 6 0 "[ . 1 . 2]" 1
392 1 18 VAL HB 1 19 GLU H . . 3.810 2.981 2.757 3.155 . 0 0 "[ . 1 . 2]" 1
393 1 18 VAL HB 1 19 GLU HA . . 4.890 4.514 4.086 4.698 . 0 0 "[ . 1 . 2]" 1
394 1 18 VAL HB 1 42 TYR HB3 . . 5.090 4.949 4.713 5.161 0.071 1 0 "[ . 1 . 2]" 1
395 1 18 VAL HB 1 85 HIS HB2 . . 5.170 4.765 4.450 4.935 . 0 0 "[ . 1 . 2]" 1
396 1 18 VAL HB 1 85 HIS HB3 . . 4.770 4.833 4.721 4.851 0.081 8 0 "[ . 1 . 2]" 1
397 1 18 VAL QG 1 19 GLU H . . 3.810 3.460 3.331 3.555 . 0 0 "[ . 1 . 2]" 1
398 1 18 VAL QG 1 19 GLU HA . . 4.390 3.878 3.624 4.096 . 0 0 "[ . 1 . 2]" 1
399 1 18 VAL QG 1 19 GLU QB . . 4.800 4.549 4.307 4.747 . 0 0 "[ . 1 . 2]" 1
400 1 18 VAL QG 1 19 GLU QG . . 5.240 4.516 4.333 4.708 . 0 0 "[ . 1 . 2]" 1
401 1 18 VAL QG 1 20 LYS H . . 5.500 4.401 4.260 4.544 . 0 0 "[ . 1 . 2]" 1
402 1 18 VAL QG 1 21 TRP H . . 5.200 3.969 3.852 4.145 . 0 0 "[ . 1 . 2]" 1
403 1 18 VAL QG 1 21 TRP HD1 . . 4.720 4.458 4.241 4.744 0.024 20 0 "[ . 1 . 2]" 1
404 1 18 VAL QG 1 21 TRP HE1 . . 5.060 3.953 3.720 4.352 . 0 0 "[ . 1 . 2]" 1
405 1 18 VAL QG 1 21 TRP HH2 . . 3.530 3.223 2.933 3.561 0.031 6 0 "[ . 1 . 2]" 1
406 1 18 VAL QG 1 21 TRP HZ2 . . 3.550 3.204 2.944 3.691 0.141 6 0 "[ . 1 . 2]" 1
407 1 18 VAL QG 1 21 TRP HZ3 . . 3.620 3.153 2.830 3.524 . 0 0 "[ . 1 . 2]" 1
408 1 18 VAL QG 1 41 CYS HA . . 5.500 4.596 4.320 4.828 . 0 0 "[ . 1 . 2]" 1
409 1 18 VAL QG 1 42 TYR H . . 5.170 3.882 3.614 4.090 . 0 0 "[ . 1 . 2]" 1
410 1 18 VAL QG 1 42 TYR HA . . 5.370 4.661 4.429 4.903 . 0 0 "[ . 1 . 2]" 1
411 1 18 VAL QG 1 42 TYR HB2 . . 3.810 2.925 2.646 3.230 . 0 0 "[ . 1 . 2]" 1
412 1 18 VAL QG 1 42 TYR HB3 . . 3.930 2.420 2.231 2.616 . 0 0 "[ . 1 . 2]" 1
413 1 18 VAL QG 1 42 TYR QD . . 3.100 2.664 2.198 3.043 . 0 0 "[ . 1 . 2]" 1
414 1 18 VAL QG 1 65 LEU QD . . 3.850 3.440 3.065 3.771 . 0 0 "[ . 1 . 2]" 1
415 1 18 VAL QG 1 85 HIS HB2 . . 4.080 2.233 2.063 2.298 . 0 0 "[ . 1 . 2]" 1
416 1 18 VAL QG 1 85 HIS HB3 . . 4.220 2.132 1.968 2.261 . 0 0 "[ . 1 . 2]" 1
417 1 18 VAL QG 1 85 HIS HD2 . . 3.900 3.828 3.554 4.002 0.102 14 0 "[ . 1 . 2]" 1
418 1 19 GLU H 1 19 GLU QB . . 3.020 2.568 2.461 2.691 . 0 0 "[ . 1 . 2]" 1
419 1 19 GLU H 1 19 GLU QG . . 3.810 2.046 1.863 2.275 . 0 0 "[ . 1 . 2]" 1
420 1 19 GLU H 1 20 LYS H . . 3.430 2.790 2.507 3.005 . 0 0 "[ . 1 . 2]" 1
421 1 19 GLU H 1 20 LYS QG . . 5.500 4.132 3.586 5.084 . 0 0 "[ . 1 . 2]" 1
422 1 19 GLU HA 1 19 GLU QB . . 2.740 2.180 2.157 2.205 . 0 0 "[ . 1 . 2]" 1
423 1 19 GLU HA 1 19 GLU QG . . 3.860 3.359 3.309 3.402 . 0 0 "[ . 1 . 2]" 1
424 1 19 GLU HA 1 20 LYS HA . . 4.940 4.713 4.637 4.767 . 0 0 "[ . 1 . 2]" 1
425 1 19 GLU HA 1 21 TRP H . . 4.380 3.944 3.617 4.427 0.047 16 0 "[ . 1 . 2]" 1
426 1 19 GLU HA 1 85 HIS HE1 . . 3.440 3.331 2.638 3.521 0.081 1 0 "[ . 1 . 2]" 1
427 1 19 GLU QB 1 19 GLU QG . . 2.450 2.107 2.027 2.132 . 0 0 "[ . 1 . 2]" 1
428 1 19 GLU QB 1 20 LYS H . . 4.460 3.689 3.566 3.858 . 0 0 "[ . 1 . 2]" 1
429 1 19 GLU QB 1 20 LYS HA . . 5.380 4.429 4.223 4.653 . 0 0 "[ . 1 . 2]" 1
430 1 19 GLU QB 1 85 HIS HE1 . . 4.790 4.519 3.778 4.872 0.082 18 0 "[ . 1 . 2]" 1
431 1 19 GLU QG 1 20 LYS H . . 3.780 2.441 2.164 2.855 . 0 0 "[ . 1 . 2]" 1
432 1 19 GLU QG 1 20 LYS HA . . 5.410 3.820 3.622 4.062 . 0 0 "[ . 1 . 2]" 1
433 1 19 GLU QG 1 20 LYS QE . . 5.500 3.975 2.846 5.317 . 0 0 "[ . 1 . 2]" 1
434 1 19 GLU QG 1 20 LYS QG . . 4.890 2.414 2.027 4.241 . 0 0 "[ . 1 . 2]" 1
435 1 20 LYS H 1 20 LYS HB2 . . 3.190 2.719 2.496 3.593 0.403 18 0 "[ . 1 . 2]" 1
436 1 20 LYS H 1 20 LYS HB3 . . 3.710 3.530 2.251 3.740 0.030 2 0 "[ . 1 . 2]" 1
437 1 20 LYS H 1 20 LYS QD . . 5.060 4.188 3.754 4.650 . 0 0 "[ . 1 . 2]" 1
438 1 20 LYS H 1 20 LYS QG . . 3.630 2.388 2.137 2.761 . 0 0 "[ . 1 . 2]" 1
439 1 20 LYS H 1 21 TRP H . . 3.080 2.357 2.242 2.550 . 0 0 "[ . 1 . 2]" 1
440 1 20 LYS H 1 21 TRP HB2 . . 5.070 4.526 4.340 4.732 . 0 0 "[ . 1 . 2]" 1
441 1 20 LYS H 1 21 TRP HD1 . . 4.440 3.534 2.931 3.886 . 0 0 "[ . 1 . 2]" 1
442 1 20 LYS HA 1 20 LYS HB3 . . 2.940 2.424 2.358 2.587 . 0 0 "[ . 1 . 2]" 1
443 1 20 LYS HA 1 20 LYS QD . . 4.320 3.987 3.631 4.294 . 0 0 "[ . 1 . 2]" 1
444 1 20 LYS HA 1 20 LYS QG . . 3.290 2.582 2.359 3.157 . 0 0 "[ . 1 . 2]" 1
445 1 20 LYS HA 1 21 TRP HD1 . . 5.220 4.768 4.180 5.108 . 0 0 "[ . 1 . 2]" 1
446 1 20 LYS HB2 1 20 LYS QD . . 3.720 2.621 2.243 3.339 . 0 0 "[ . 1 . 2]" 1
447 1 20 LYS HB2 1 21 TRP H . . 4.330 3.492 2.892 4.606 0.276 6 0 "[ . 1 . 2]" 1
448 1 20 LYS HB2 1 21 TRP HD1 . . 3.580 2.960 2.599 4.303 0.723 18 2 "[ .- 1 . + 2]" 1
449 1 20 LYS HB2 1 21 TRP HE1 . . 5.500 4.488 4.073 5.969 0.469 18 0 "[ . 1 . 2]" 1
450 1 20 LYS HB3 1 20 LYS QD . . 3.690 2.421 2.253 3.011 . 0 0 "[ . 1 . 2]" 1
451 1 20 LYS HB3 1 21 TRP H . . 4.680 4.256 3.949 4.521 . 0 0 "[ . 1 . 2]" 1
452 1 20 LYS HB3 1 21 TRP HD1 . . 4.220 4.133 3.671 4.289 0.069 12 0 "[ . 1 . 2]" 1
453 1 20 LYS QG 1 21 TRP H . . 5.160 4.078 3.100 4.385 . 0 0 "[ . 1 . 2]" 1
454 1 20 LYS QG 1 21 TRP HD1 . . 4.650 4.226 1.869 4.514 . 0 0 "[ . 1 . 2]" 1
455 1 21 TRP H 1 21 TRP HB2 . . 3.200 2.417 2.326 2.553 . 0 0 "[ . 1 . 2]" 1
456 1 21 TRP H 1 21 TRP HB3 . . 3.620 3.550 3.473 3.597 . 0 0 "[ . 1 . 2]" 1
457 1 21 TRP H 1 21 TRP HD1 . . 3.660 2.691 2.311 2.921 . 0 0 "[ . 1 . 2]" 1
458 1 21 TRP H 1 22 PRO HD2 . . 5.500 4.863 4.760 4.973 . 0 0 "[ . 1 . 2]" 1
459 1 21 TRP H 1 85 HIS HB3 . . 5.120 4.595 4.261 4.816 . 0 0 "[ . 1 . 2]" 1
460 1 21 TRP HA 1 21 TRP HD1 . . 2.940 2.613 2.375 2.802 . 0 0 "[ . 1 . 2]" 1
461 1 21 TRP HA 1 21 TRP HE1 . . 4.800 4.866 4.751 4.882 0.082 6 0 "[ . 1 . 2]" 1
462 1 21 TRP HA 1 22 PRO HD2 . . 3.150 2.524 2.411 2.725 . 0 0 "[ . 1 . 2]" 1
463 1 21 TRP HA 1 22 PRO HD3 . . 2.930 2.623 2.312 2.761 . 0 0 "[ . 1 . 2]" 1
464 1 21 TRP HA 1 22 PRO HG2 . . 4.980 4.687 4.530 4.811 . 0 0 "[ . 1 . 2]" 1
465 1 21 TRP HA 1 87 ASN HB2 . . 5.400 4.510 4.046 4.933 . 0 0 "[ . 1 . 2]" 1
466 1 21 TRP HB2 1 22 PRO HD2 . . 4.510 3.669 3.545 3.739 . 0 0 "[ . 1 . 2]" 1
467 1 21 TRP HB2 1 85 HIS HA . . 4.710 4.147 3.989 4.346 . 0 0 "[ . 1 . 2]" 1
468 1 21 TRP HB2 1 85 HIS HB2 . . 4.550 4.239 3.970 4.600 0.050 7 0 "[ . 1 . 2]" 1
469 1 21 TRP HB2 1 85 HIS HB3 . . 3.460 2.580 2.280 2.878 . 0 0 "[ . 1 . 2]" 1
470 1 21 TRP HB2 1 85 HIS HD2 . . 3.550 2.509 2.237 3.064 . 0 0 "[ . 1 . 2]" 1
471 1 21 TRP HB2 1 86 TYR H . . 4.840 4.293 3.785 4.847 0.007 20 0 "[ . 1 . 2]" 1
472 1 21 TRP HB3 1 21 TRP HD1 . . 3.890 3.713 3.602 3.819 . 0 0 "[ . 1 . 2]" 1
473 1 21 TRP HD1 1 22 PRO HD2 . . 4.760 4.681 4.299 4.834 0.074 6 0 "[ . 1 . 2]" 1
474 1 21 TRP HD1 1 22 PRO HD3 . . 5.500 5.103 4.425 5.472 . 0 0 "[ . 1 . 2]" 1
475 1 21 TRP HE1 1 87 ASN HD21 . . 5.500 4.290 3.087 5.566 0.066 15 0 "[ . 1 . 2]" 1
476 1 21 TRP HH2 1 40 THR HB . . 3.580 3.556 3.204 3.661 0.081 12 0 "[ . 1 . 2]" 1
477 1 21 TRP HH2 1 40 THR MG . . 3.460 2.521 2.219 2.943 . 0 0 "[ . 1 . 2]" 1
478 1 21 TRP HH2 1 65 LEU QD . . 4.070 3.766 2.881 3.997 . 0 0 "[ . 1 . 2]" 1
479 1 21 TRP HH2 1 87 ASN HB3 . . 5.270 4.299 3.759 4.725 . 0 0 "[ . 1 . 2]" 1
480 1 21 TRP HZ2 1 87 ASN HB2 . . 5.030 4.866 4.337 5.097 0.067 7 0 "[ . 1 . 2]" 1
481 1 21 TRP HZ2 1 87 ASN HB3 . . 4.970 4.796 4.620 5.028 0.058 1 0 "[ . 1 . 2]" 1
482 1 21 TRP HZ2 1 87 ASN HD21 . . 5.500 4.103 3.053 5.230 . 0 0 "[ . 1 . 2]" 1
483 1 21 TRP HZ3 1 40 THR HB . . 4.190 3.168 2.668 3.633 . 0 0 "[ . 1 . 2]" 1
484 1 21 TRP HZ3 1 40 THR MG . . 3.100 2.281 2.180 2.523 . 0 0 "[ . 1 . 2]" 1
485 1 21 TRP HZ3 1 41 CYS HA . . 3.840 3.383 2.896 3.891 0.051 16 0 "[ . 1 . 2]" 1
486 1 21 TRP HZ3 1 42 TYR H . . 4.350 4.241 3.417 4.421 0.071 16 0 "[ . 1 . 2]" 1
487 1 21 TRP HZ3 1 42 TYR HB2 . . 4.800 4.120 3.442 4.709 . 0 0 "[ . 1 . 2]" 1
488 1 21 TRP HZ3 1 42 TYR HB3 . . 5.130 4.659 4.019 5.202 0.072 1 0 "[ . 1 . 2]" 1
489 1 21 TRP HZ3 1 65 LEU QD . . 3.670 3.546 3.217 3.720 0.050 3 0 "[ . 1 . 2]" 1
490 1 22 PRO HA 1 23 ILE H . . 2.790 2.175 2.113 2.232 . 0 0 "[ . 1 . 2]" 1
491 1 22 PRO HA 1 23 ILE HB . . 4.640 4.455 4.252 4.601 . 0 0 "[ . 1 . 2]" 1
492 1 22 PRO HA 1 23 ILE HG13 . . 4.250 4.216 3.983 4.317 0.067 7 0 "[ . 1 . 2]" 1
493 1 22 PRO HA 1 23 ILE MG . . 5.500 5.504 5.406 5.569 0.069 10 0 "[ . 1 . 2]" 1
494 1 22 PRO HB2 1 23 ILE H . . 3.740 3.427 3.232 3.708 . 0 0 "[ . 1 . 2]" 1
495 1 22 PRO HB2 1 24 TRP HB2 . . 4.710 4.508 4.114 4.748 0.038 14 0 "[ . 1 . 2]" 1
496 1 22 PRO HB2 1 86 TYR QE . . 3.840 2.372 2.215 2.611 . 0 0 "[ . 1 . 2]" 1
497 1 22 PRO HB3 1 23 ILE H . . 3.920 3.909 3.753 4.006 0.086 4 0 "[ . 1 . 2]" 1
498 1 22 PRO HB3 1 86 TYR QE . . 4.500 4.037 3.905 4.284 . 0 0 "[ . 1 . 2]" 1
499 1 22 PRO HD2 1 86 TYR H . . 4.960 4.294 3.922 5.003 0.043 7 0 "[ . 1 . 2]" 1
500 1 22 PRO HD2 1 87 ASN HA . . 4.610 3.259 3.017 3.511 . 0 0 "[ . 1 . 2]" 1
501 1 22 PRO HG2 1 23 ILE H . . 5.500 4.916 4.816 5.102 . 0 0 "[ . 1 . 2]" 1
502 1 22 PRO HG2 1 86 TYR H . . 4.790 3.508 3.100 4.443 . 0 0 "[ . 1 . 2]" 1
503 1 22 PRO HG2 1 86 TYR QD . . 5.460 3.365 3.201 3.686 . 0 0 "[ . 1 . 2]" 1
504 1 22 PRO HG2 1 86 TYR QE . . 4.380 3.065 2.791 3.257 . 0 0 "[ . 1 . 2]" 1
505 1 23 ILE H 1 23 ILE HB . . 3.040 2.320 2.169 2.471 . 0 0 "[ . 1 . 2]" 1
506 1 23 ILE H 1 23 ILE MD . . 4.740 3.811 3.562 4.005 . 0 0 "[ . 1 . 2]" 1
507 1 23 ILE H 1 23 ILE HG12 . . 4.480 3.876 3.683 4.167 . 0 0 "[ . 1 . 2]" 1
508 1 23 ILE H 1 23 ILE HG13 . . 3.770 2.730 2.563 2.957 . 0 0 "[ . 1 . 2]" 1
509 1 23 ILE H 1 23 ILE MG . . 4.590 3.745 3.644 3.850 . 0 0 "[ . 1 . 2]" 1
510 1 23 ILE H 1 24 TRP H . . 5.280 4.584 4.486 4.709 . 0 0 "[ . 1 . 2]" 1
511 1 23 ILE H 1 86 TYR QE . . 4.900 4.486 4.094 4.965 0.065 7 0 "[ . 1 . 2]" 1
512 1 23 ILE HA 1 23 ILE MD . . 4.200 3.816 3.756 3.888 . 0 0 "[ . 1 . 2]" 1
513 1 23 ILE HA 1 23 ILE HG12 . . 3.570 2.437 2.293 2.662 . 0 0 "[ . 1 . 2]" 1
514 1 23 ILE HA 1 23 ILE HG13 . . 3.950 2.848 2.675 3.048 . 0 0 "[ . 1 . 2]" 1
515 1 23 ILE HA 1 23 ILE MG . . 3.600 2.638 2.463 2.820 . 0 0 "[ . 1 . 2]" 1
516 1 23 ILE HA 1 24 TRP H . . 2.820 2.256 2.103 2.364 . 0 0 "[ . 1 . 2]" 1
517 1 23 ILE HA 1 24 TRP HB2 . . 5.210 4.680 4.495 4.893 . 0 0 "[ . 1 . 2]" 1
518 1 23 ILE HA 1 24 TRP HB3 . . 4.920 4.600 4.465 4.770 . 0 0 "[ . 1 . 2]" 1
519 1 23 ILE HA 1 85 HIS HA . . 3.300 2.669 2.297 2.953 . 0 0 "[ . 1 . 2]" 1
520 1 23 ILE HA 1 85 HIS HB3 . . 5.210 5.008 4.724 5.280 0.070 15 0 "[ . 1 . 2]" 1
521 1 23 ILE HA 1 86 TYR H . . 4.640 3.867 3.469 4.189 . 0 0 "[ . 1 . 2]" 1
522 1 23 ILE HA 1 86 TYR QD . . 4.230 3.895 3.508 4.162 . 0 0 "[ . 1 . 2]" 1
523 1 23 ILE HA 1 86 TYR QE . . 4.590 4.488 4.123 4.676 0.086 13 0 "[ . 1 . 2]" 1
524 1 23 ILE HB 1 23 ILE MD . . 3.720 2.455 2.316 2.577 . 0 0 "[ . 1 . 2]" 1
525 1 23 ILE HB 1 24 TRP H . . 4.370 4.115 3.968 4.188 . 0 0 "[ . 1 . 2]" 1
526 1 23 ILE MD 1 23 ILE MG . . 2.880 2.059 1.929 2.126 . 0 0 "[ . 1 . 2]" 1
527 1 23 ILE MD 1 24 TRP H . . 5.200 4.834 4.677 5.002 . 0 0 "[ . 1 . 2]" 1
528 1 23 ILE MD 1 83 ARG HD2 . . 5.500 5.089 4.431 5.560 0.060 9 0 "[ . 1 . 2]" 1
529 1 23 ILE MD 1 83 ARG HD3 . . 5.220 4.113 3.486 5.239 0.019 10 0 "[ . 1 . 2]" 1
530 1 23 ILE MD 1 85 HIS HA . . 5.290 5.310 4.939 5.398 0.108 8 0 "[ . 1 . 2]" 1
531 1 23 ILE MD 1 85 HIS HE1 . . 3.330 3.180 2.593 3.399 0.069 19 0 "[ . 1 . 2]" 1
532 1 23 ILE HG12 1 23 ILE MG . . 3.650 2.432 2.336 2.563 . 0 0 "[ . 1 . 2]" 1
533 1 23 ILE HG12 1 24 TRP H . . 4.790 3.990 3.769 4.281 . 0 0 "[ . 1 . 2]" 1
534 1 23 ILE HG12 1 85 HIS HA . . 4.550 3.934 3.608 4.066 . 0 0 "[ . 1 . 2]" 1
535 1 23 ILE HG12 1 85 HIS HE1 . . 4.840 3.497 3.116 3.914 . 0 0 "[ . 1 . 2]" 1
536 1 23 ILE HG13 1 23 ILE MG . . 3.570 3.251 3.197 3.280 . 0 0 "[ . 1 . 2]" 1
537 1 23 ILE HG13 1 24 TRP H . . 4.990 4.848 4.704 5.051 0.061 15 0 "[ . 1 . 2]" 1
538 1 23 ILE HG13 1 85 HIS HA . . 4.970 4.530 3.705 4.937 . 0 0 "[ . 1 . 2]" 1
539 1 23 ILE HG13 1 85 HIS HE1 . . 3.850 3.928 3.900 3.941 0.091 9 0 "[ . 1 . 2]" 1
540 1 23 ILE MG 1 24 TRP H . . 3.540 2.417 2.261 2.652 . 0 0 "[ . 1 . 2]" 1
541 1 23 ILE MG 1 24 TRP HA . . 4.400 3.031 2.838 3.243 . 0 0 "[ . 1 . 2]" 1
542 1 23 ILE MG 1 25 GLU H . . 5.350 3.693 2.913 4.066 . 0 0 "[ . 1 . 2]" 1
543 1 23 ILE MG 1 25 GLU HG2 . . 4.330 2.812 2.145 3.486 . 0 0 "[ . 1 . 2]" 1
544 1 23 ILE MG 1 25 GLU HG3 . . 4.030 3.634 2.388 4.131 0.101 18 0 "[ . 1 . 2]" 1
545 1 23 ILE MG 1 83 ARG HA . . 4.660 3.858 3.477 4.295 . 0 0 "[ . 1 . 2]" 1
546 1 23 ILE MG 1 83 ARG HD2 . . 4.380 4.366 3.862 4.478 0.098 9 0 "[ . 1 . 2]" 1
547 1 23 ILE MG 1 83 ARG HD3 . . 4.340 3.829 3.317 4.435 0.095 10 0 "[ . 1 . 2]" 1
548 1 23 ILE MG 1 83 ARG HG2 . . 4.140 2.436 2.168 3.060 . 0 0 "[ . 1 . 2]" 1
549 1 23 ILE MG 1 85 HIS HA . . 4.730 4.500 4.141 4.842 0.112 9 0 "[ . 1 . 2]" 1
550 1 24 TRP H 1 24 TRP HB2 . . 3.920 3.371 3.288 3.508 . 0 0 "[ . 1 . 2]" 1
551 1 24 TRP H 1 24 TRP HB3 . . 3.550 2.826 2.641 2.944 . 0 0 "[ . 1 . 2]" 1
552 1 24 TRP H 1 24 TRP HE3 . . 4.680 4.280 4.019 4.630 . 0 0 "[ . 1 . 2]" 1
553 1 24 TRP H 1 25 GLU H . . 5.110 4.179 3.817 4.367 . 0 0 "[ . 1 . 2]" 1
554 1 24 TRP H 1 83 ARG HA . . 4.980 4.338 3.973 4.580 . 0 0 "[ . 1 . 2]" 1
555 1 24 TRP H 1 84 LYS HD2 . . 5.060 4.019 3.009 5.122 0.062 1 0 "[ . 1 . 2]" 1
556 1 24 TRP H 1 84 LYS HD3 . . 4.530 3.703 2.877 4.560 0.030 14 0 "[ . 1 . 2]" 1
557 1 24 TRP H 1 85 HIS HA . . 4.260 3.716 3.429 4.060 . 0 0 "[ . 1 . 2]" 1
558 1 24 TRP H 1 86 TYR H . . 4.610 4.453 3.764 4.684 0.074 9 0 "[ . 1 . 2]" 1
559 1 24 TRP HA 1 24 TRP HD1 . . 3.840 3.447 3.152 3.755 . 0 0 "[ . 1 . 2]" 1
560 1 24 TRP HA 1 24 TRP HE3 . . 5.400 4.341 4.174 4.525 . 0 0 "[ . 1 . 2]" 1
561 1 24 TRP HA 1 25 GLU H . . 2.900 2.233 2.140 2.358 . 0 0 "[ . 1 . 2]" 1
562 1 24 TRP HA 1 25 GLU HA . . 4.880 4.499 4.402 4.555 . 0 0 "[ . 1 . 2]" 1
563 1 24 TRP HA 1 25 GLU HG2 . . 5.500 4.090 3.378 5.247 . 0 0 "[ . 1 . 2]" 1
564 1 24 TRP HA 1 25 GLU HG3 . . 5.150 3.923 3.503 4.583 . 0 0 "[ . 1 . 2]" 1
565 1 24 TRP HA 1 86 TYR QD . . 5.420 4.619 4.239 5.088 . 0 0 "[ . 1 . 2]" 1
566 1 24 TRP HA 1 86 TYR QE . . 4.290 3.970 3.723 4.247 . 0 0 "[ . 1 . 2]" 1
567 1 24 TRP HB2 1 24 TRP HD1 . . 3.380 2.562 2.471 2.683 . 0 0 "[ . 1 . 2]" 1
568 1 24 TRP HB2 1 25 GLU H . . 4.630 4.154 3.923 4.408 . 0 0 "[ . 1 . 2]" 1
569 1 24 TRP HB2 1 84 LYS HD3 . . 4.830 4.115 3.688 4.692 . 0 0 "[ . 1 . 2]" 1
570 1 24 TRP HB2 1 86 TYR QD . . 3.680 2.807 2.296 3.478 . 0 0 "[ . 1 . 2]" 1
571 1 24 TRP HB2 1 86 TYR QE . . 3.120 2.295 2.148 2.462 . 0 0 "[ . 1 . 2]" 1
572 1 24 TRP HB3 1 24 TRP HE3 . . 3.560 2.789 2.568 3.084 . 0 0 "[ . 1 . 2]" 1
573 1 24 TRP HB3 1 25 GLU H . . 5.210 4.153 3.833 4.406 . 0 0 "[ . 1 . 2]" 1
574 1 24 TRP HB3 1 84 LYS H . . 5.120 4.355 3.439 5.171 0.051 20 0 "[ . 1 . 2]" 1
575 1 24 TRP HB3 1 84 LYS HD2 . . 4.200 3.172 2.203 3.689 . 0 0 "[ . 1 . 2]" 1
576 1 24 TRP HB3 1 84 LYS HD3 . . 4.170 2.480 2.125 3.061 . 0 0 "[ . 1 . 2]" 1
577 1 24 TRP HB3 1 86 TYR QE . . 4.750 3.574 3.159 3.916 . 0 0 "[ . 1 . 2]" 1
578 1 24 TRP HD1 1 25 GLU H . . 4.690 4.343 3.753 4.741 0.051 9 0 "[ . 1 . 2]" 1
579 1 24 TRP HD1 1 86 TYR QE . . 4.240 3.911 3.532 4.301 0.061 11 0 "[ . 1 . 2]" 1
580 1 24 TRP HE1 1 26 LYS QG . . 5.500 4.378 3.418 5.348 . 0 0 "[ . 1 . 2]" 1
581 1 24 TRP HE3 1 25 GLU HA . . 3.790 3.203 2.534 3.853 0.063 14 0 "[ . 1 . 2]" 1
582 1 24 TRP HE3 1 26 LYS HB2 . . 4.920 4.137 3.643 4.530 . 0 0 "[ . 1 . 2]" 1
583 1 24 TRP HE3 1 82 VAL QG . . 4.870 3.347 2.837 4.168 . 0 0 "[ . 1 . 2]" 1
584 1 24 TRP HE3 1 84 LYS H . . 4.150 3.665 3.106 4.226 0.076 5 0 "[ . 1 . 2]" 1
585 1 24 TRP HE3 1 84 LYS QB . . 5.310 4.625 4.332 4.949 . 0 0 "[ . 1 . 2]" 1
586 1 24 TRP HE3 1 84 LYS HD2 . . 3.240 2.317 1.845 2.903 . 0 0 "[ . 1 . 2]" 1
587 1 24 TRP HE3 1 84 LYS HD3 . . 3.170 3.010 2.198 3.286 0.116 18 0 "[ . 1 . 2]" 1
588 1 24 TRP HH2 1 26 LYS HB2 . . 3.960 2.802 2.347 3.212 . 0 0 "[ . 1 . 2]" 1
589 1 24 TRP HH2 1 26 LYS HB3 . . 3.690 3.575 2.892 3.769 0.079 15 0 "[ . 1 . 2]" 1
590 1 24 TRP HH2 1 26 LYS QD . . 4.900 3.989 2.479 4.538 . 0 0 "[ . 1 . 2]" 1
591 1 24 TRP HH2 1 26 LYS HE3 . . 5.310 4.551 3.261 5.326 0.016 14 0 "[ . 1 . 2]" 1
592 1 24 TRP HH2 1 26 LYS QG . . 5.400 2.591 2.113 3.516 . 0 0 "[ . 1 . 2]" 1
593 1 24 TRP HH2 1 82 VAL QG . . 5.320 3.909 3.245 4.877 . 0 0 "[ . 1 . 2]" 1
594 1 24 TRP HZ2 1 26 LYS HB2 . . 4.080 3.739 3.078 4.156 0.076 13 0 "[ . 1 . 2]" 1
595 1 24 TRP HZ2 1 26 LYS QD . . 5.370 4.019 2.452 4.857 . 0 0 "[ . 1 . 2]" 1
596 1 24 TRP HZ2 1 26 LYS HE2 . . 4.510 3.927 2.883 4.580 0.070 17 0 "[ . 1 . 2]" 1
597 1 24 TRP HZ2 1 26 LYS HE3 . . 4.490 3.871 2.901 4.580 0.090 7 0 "[ . 1 . 2]" 1
598 1 24 TRP HZ2 1 26 LYS QG . . 3.760 2.618 2.189 3.153 . 0 0 "[ . 1 . 2]" 1
599 1 25 GLU H 1 25 GLU HB2 . . 4.120 3.581 2.920 3.892 . 0 0 "[ . 1 . 2]" 1
600 1 25 GLU H 1 25 GLU HB3 . . 3.550 3.523 3.274 3.645 0.095 11 0 "[ . 1 . 2]" 1
601 1 25 GLU H 1 25 GLU HG2 . . 4.700 3.069 2.420 3.954 . 0 0 "[ . 1 . 2]" 1
602 1 25 GLU H 1 25 GLU HG3 . . 4.120 2.448 1.942 3.010 . 0 0 "[ . 1 . 2]" 1
603 1 25 GLU H 1 26 LYS H . . 4.730 4.405 4.067 4.640 . 0 0 "[ . 1 . 2]" 1
604 1 25 GLU HA 1 25 GLU HB2 . . 2.990 2.653 2.404 2.988 . 0 0 "[ . 1 . 2]" 1
605 1 25 GLU HA 1 25 GLU HG2 . . 3.770 3.754 3.042 3.872 0.102 5 0 "[ . 1 . 2]" 1
606 1 25 GLU HA 1 25 GLU HG3 . . 3.790 3.609 3.008 3.852 0.062 4 0 "[ . 1 . 2]" 1
607 1 25 GLU HA 1 26 LYS H . . 2.860 2.463 2.103 2.641 . 0 0 "[ . 1 . 2]" 1
608 1 25 GLU HA 1 26 LYS HA . . 4.990 4.562 4.442 4.682 . 0 0 "[ . 1 . 2]" 1
609 1 25 GLU HA 1 26 LYS HB2 . . 5.260 4.066 3.634 4.443 . 0 0 "[ . 1 . 2]" 1
610 1 25 GLU HA 1 82 VAL QG . . 4.900 3.505 2.568 4.099 . 0 0 "[ . 1 . 2]" 1
611 1 25 GLU HA 1 83 ARG HG2 . . 5.090 4.483 3.639 5.149 0.059 2 0 "[ . 1 . 2]" 1
612 1 25 GLU HB2 1 26 LYS H . . 4.150 2.715 2.317 3.830 . 0 0 "[ . 1 . 2]" 1
613 1 25 GLU HB3 1 25 GLU HG2 . . 2.820 2.297 2.076 2.503 . 0 0 "[ . 1 . 2]" 1
614 1 25 GLU HB3 1 26 LYS H . . 3.830 3.519 2.675 3.908 0.078 16 0 "[ . 1 . 2]" 1
615 1 25 GLU HB3 1 83 ARG HG3 . . 2.400 2.220 2.049 2.480 0.080 15 0 "[ . 1 . 2]" 1
616 1 25 GLU HG2 1 26 LYS H . . 5.500 5.116 4.802 5.377 . 0 0 "[ . 1 . 2]" 1
617 1 25 GLU HG2 1 83 ARG HD3 . . 5.500 5.274 3.010 6.181 0.681 6 4 "[ *.+* 1 .- 2]" 1
618 1 25 GLU HG2 1 83 ARG HG2 . . 4.450 3.986 2.152 4.520 0.070 9 0 "[ . 1 . 2]" 1
619 1 25 GLU HG2 1 83 ARG HG3 . . 4.550 3.403 2.373 4.091 . 0 0 "[ . 1 . 2]" 1
620 1 25 GLU HG3 1 26 LYS H . . 5.500 4.576 4.086 5.504 0.004 11 0 "[ . 1 . 2]" 1
621 1 25 GLU HG3 1 83 ARG HG3 . . 4.810 4.415 2.285 5.098 0.288 5 0 "[ . 1 . 2]" 1
622 1 26 LYS H 1 26 LYS HB2 . . 3.990 2.960 2.480 3.313 . 0 0 "[ . 1 . 2]" 1
623 1 26 LYS H 1 26 LYS HB3 . . 3.980 3.306 2.832 3.665 . 0 0 "[ . 1 . 2]" 1
624 1 26 LYS H 1 27 GLU H . . 4.810 4.355 4.232 4.502 . 0 0 "[ . 1 . 2]" 1
625 1 26 LYS H 1 81 PRO HA . . 5.500 4.135 3.745 4.911 . 0 0 "[ . 1 . 2]" 1
626 1 26 LYS H 1 82 VAL H . . 3.840 3.637 2.873 3.918 0.078 11 0 "[ . 1 . 2]" 1
627 1 26 LYS H 1 82 VAL QG . . 3.780 3.393 2.460 3.825 0.045 5 0 "[ . 1 . 2]" 1
628 1 26 LYS H 1 83 ARG HA . . 5.030 4.650 4.243 4.964 . 0 0 "[ . 1 . 2]" 1
629 1 26 LYS HA 1 26 LYS QD . . 3.830 2.650 2.113 3.677 . 0 0 "[ . 1 . 2]" 1
630 1 26 LYS HA 1 26 LYS HE2 . . 4.740 4.383 4.017 4.882 0.142 7 0 "[ . 1 . 2]" 1
631 1 26 LYS HA 1 26 LYS HE3 . . 5.310 5.006 4.587 5.386 0.076 17 0 "[ . 1 . 2]" 1
632 1 26 LYS HA 1 26 LYS QG . . 3.190 2.435 2.086 3.065 . 0 0 "[ . 1 . 2]" 1
633 1 26 LYS HA 1 27 GLU H . . 2.780 2.404 2.171 2.619 . 0 0 "[ . 1 . 2]" 1
634 1 26 LYS HA 1 27 GLU QB . . 4.470 4.169 3.851 4.426 . 0 0 "[ . 1 . 2]" 1
635 1 26 LYS HB2 1 26 LYS QD . . 3.730 3.094 2.440 3.390 . 0 0 "[ . 1 . 2]" 1
636 1 26 LYS HB2 1 26 LYS HE2 . . 5.000 4.677 4.315 5.044 0.044 8 0 "[ . 1 . 2]" 1
637 1 26 LYS HB2 1 26 LYS HE3 . . 5.270 4.669 4.367 5.093 . 0 0 "[ . 1 . 2]" 1
638 1 26 LYS HB2 1 27 GLU H . . 4.750 4.060 3.783 4.201 . 0 0 "[ . 1 . 2]" 1
639 1 26 LYS HB2 1 78 VAL MG2 . . 4.480 3.635 2.829 4.560 0.080 7 0 "[ . 1 . 2]" 1
640 1 26 LYS HB2 1 82 VAL H . . 5.500 4.926 4.111 5.563 0.063 11 0 "[ . 1 . 2]" 1
641 1 26 LYS HB2 1 82 VAL QG . . 4.300 3.501 2.772 4.299 . 0 0 "[ . 1 . 2]" 1
642 1 26 LYS HB3 1 26 LYS QD . . 3.860 2.515 2.168 3.338 . 0 0 "[ . 1 . 2]" 1
643 1 26 LYS HB3 1 27 GLU H . . 5.020 3.103 2.465 3.506 . 0 0 "[ . 1 . 2]" 1
644 1 26 LYS HB3 1 27 GLU QB . . 5.250 4.697 4.248 4.975 . 0 0 "[ . 1 . 2]" 1
645 1 26 LYS HB3 1 82 VAL H . . 4.980 4.505 3.538 5.061 0.081 20 0 "[ . 1 . 2]" 1
646 1 26 LYS QD 1 27 GLU H . . 3.850 2.107 1.610 2.923 . 0 0 "[ . 1 . 2]" 1
647 1 26 LYS QD 1 27 GLU QB . . 5.170 3.333 2.552 4.188 . 0 0 "[ . 1 . 2]" 1
648 1 26 LYS QD 1 31 PHE QE . . 3.530 2.382 2.012 3.307 . 0 0 "[ . 1 . 2]" 1
649 1 26 LYS QD 1 31 PHE HZ . . 4.120 3.892 3.371 4.091 . 0 0 "[ . 1 . 2]" 1
650 1 26 LYS HE2 1 26 LYS QG . . 3.680 2.452 2.027 3.410 . 0 0 "[ . 1 . 2]" 1
651 1 26 LYS HE2 1 27 GLU H . . 5.500 4.405 3.692 5.097 . 0 0 "[ . 1 . 2]" 1
652 1 26 LYS HE2 1 31 PHE QD . . 5.010 4.589 3.810 5.079 0.069 16 0 "[ . 1 . 2]" 1
653 1 26 LYS HE2 1 31 PHE QE . . 4.960 3.953 2.210 5.026 0.066 5 0 "[ . 1 . 2]" 1
654 1 26 LYS HE3 1 27 GLU H . . 5.420 4.713 3.676 5.140 . 0 0 "[ . 1 . 2]" 1
655 1 26 LYS HE3 1 31 PHE QD . . 5.190 3.297 2.402 4.244 . 0 0 "[ . 1 . 2]" 1
656 1 26 LYS HE3 1 31 PHE HZ . . 4.870 3.934 3.081 4.924 0.054 17 0 "[ . 1 . 2]" 1
657 1 26 LYS QG 1 27 GLU H . . 3.820 3.022 2.230 3.676 . 0 0 "[ . 1 . 2]" 1
658 1 26 LYS QG 1 31 PHE QE . . 4.980 2.733 1.884 4.456 . 0 0 "[ . 1 . 2]" 1
659 1 27 GLU H 1 27 GLU QB . . 3.100 2.156 1.895 2.556 . 0 0 "[ . 1 . 2]" 1
660 1 27 GLU H 1 27 GLU HG2 . . 4.340 3.686 2.090 4.473 0.133 12 0 "[ . 1 . 2]" 1
661 1 27 GLU H 1 28 VAL H . . 5.060 4.395 4.201 4.572 . 0 0 "[ . 1 . 2]" 1
662 1 27 GLU H 1 29 SER QB . . 5.500 4.758 3.977 5.185 . 0 0 "[ . 1 . 2]" 1
663 1 27 GLU HA 1 27 GLU QB . . 2.730 2.408 2.118 2.559 . 0 0 "[ . 1 . 2]" 1
664 1 27 GLU HA 1 27 GLU HG3 . . 4.240 3.282 2.128 4.260 0.020 16 0 "[ . 1 . 2]" 1
665 1 27 GLU HA 1 28 VAL H . . 3.000 2.429 2.196 2.784 . 0 0 "[ . 1 . 2]" 1
666 1 27 GLU HA 1 28 VAL HA . . 4.670 4.345 4.216 4.495 . 0 0 "[ . 1 . 2]" 1
667 1 27 GLU HA 1 28 VAL HB . . 4.690 4.462 3.963 5.093 0.403 20 0 "[ . 1 . 2]" 1
668 1 27 GLU HA 1 28 VAL QG . . 4.310 3.529 2.798 4.216 . 0 0 "[ . 1 . 2]" 1
669 1 27 GLU QB 1 28 VAL H . . 3.540 2.406 2.081 2.902 . 0 0 "[ . 1 . 2]" 1
670 1 27 GLU QB 1 28 VAL QG . . 4.850 3.596 3.128 4.060 . 0 0 "[ . 1 . 2]" 1
671 1 27 GLU QB 1 29 SER QB . . 4.030 3.103 2.480 3.728 . 0 0 "[ . 1 . 2]" 1
672 1 27 GLU HG2 1 28 VAL H . . 4.500 3.313 1.694 3.982 . 0 0 "[ . 1 . 2]" 1
673 1 27 GLU HG2 1 29 SER QB . . 4.720 4.050 2.068 5.518 0.798 5 5 "[ + 1* **. - 2]" 1
674 1 27 GLU HG3 1 28 VAL H . . 4.840 3.134 1.782 4.331 . 0 0 "[ . 1 . 2]" 1
675 1 28 VAL H 1 28 VAL HB . . 2.990 2.559 2.246 2.854 . 0 0 "[ . 1 . 2]" 1
676 1 28 VAL H 1 28 VAL QG . . 3.140 2.056 1.894 2.294 . 0 0 "[ . 1 . 2]" 1
677 1 28 VAL H 1 29 SER H . . 4.880 3.145 2.550 3.807 . 0 0 "[ . 1 . 2]" 1
678 1 28 VAL H 1 81 PRO HB3 . . 4.950 4.149 3.247 4.988 0.038 5 0 "[ . 1 . 2]" 1
679 1 28 VAL HA 1 28 VAL QG . . 3.240 2.211 2.090 2.316 . 0 0 "[ . 1 . 2]" 1
680 1 28 VAL HA 1 29 SER H . . 3.220 2.817 2.308 3.300 0.080 20 0 "[ . 1 . 2]" 1
681 1 28 VAL HA 1 29 SER HA . . 5.180 4.607 4.245 4.814 . 0 0 "[ . 1 . 2]" 1
682 1 28 VAL HA 1 78 VAL H . . 5.310 4.811 4.516 5.300 . 0 0 "[ . 1 . 2]" 1
683 1 28 VAL HA 1 78 VAL HB . . 3.150 2.497 2.116 2.914 . 0 0 "[ . 1 . 2]" 1
684 1 28 VAL HA 1 78 VAL MG1 . . 3.220 2.733 2.337 3.284 0.064 13 0 "[ . 1 . 2]" 1
685 1 28 VAL HA 1 78 VAL MG2 . . 4.500 4.014 3.247 4.396 . 0 0 "[ . 1 . 2]" 1
686 1 28 VAL HB 1 29 SER H . . 4.900 4.372 3.476 4.651 . 0 0 "[ . 1 . 2]" 1
687 1 28 VAL QG 1 29 SER HA . . 4.540 3.941 3.459 4.432 . 0 0 "[ . 1 . 2]" 1
688 1 28 VAL QG 1 29 SER QB . . 5.500 4.198 3.800 4.709 . 0 0 "[ . 1 . 2]" 1
689 1 28 VAL QG 1 78 VAL H . . 5.370 5.020 4.680 5.224 . 0 0 "[ . 1 . 2]" 1
690 1 28 VAL QG 1 78 VAL HB . . 4.260 3.741 3.145 4.149 . 0 0 "[ . 1 . 2]" 1
691 1 28 VAL QG 1 80 GLU H . . 5.500 3.730 3.273 4.736 . 0 0 "[ . 1 . 2]" 1
692 1 28 VAL QG 1 80 GLU HA . . 4.870 2.551 2.180 3.605 . 0 0 "[ . 1 . 2]" 1
693 1 28 VAL QG 1 81 PRO QD . . 5.500 2.623 1.941 4.135 . 0 0 "[ . 1 . 2]" 1
694 1 29 SER H 1 30 GLU H . . 5.370 4.410 4.216 4.575 . 0 0 "[ . 1 . 2]" 1
695 1 29 SER H 1 30 GLU HA . . 5.500 5.004 4.536 5.565 0.065 7 0 "[ . 1 . 2]" 1
696 1 29 SER H 1 78 VAL MG2 . . 4.440 3.552 2.713 4.441 0.001 20 0 "[ . 1 . 2]" 1
697 1 29 SER HA 1 30 GLU H . . 3.090 2.554 2.017 2.929 . 0 0 "[ . 1 . 2]" 1
698 1 29 SER HA 1 78 VAL H . . 5.250 4.967 4.767 5.321 0.071 3 0 "[ . 1 . 2]" 1
699 1 29 SER HA 1 78 VAL MG2 . . 5.500 4.937 4.372 5.328 . 0 0 "[ . 1 . 2]" 1
700 1 29 SER QB 1 30 GLU H . . 3.150 2.891 2.398 3.064 . 0 0 "[ . 1 . 2]" 1
701 1 29 SER QB 1 31 PHE QD . . 3.860 3.599 2.999 3.852 . 0 0 "[ . 1 . 2]" 1
702 1 29 SER QB 1 78 VAL MG2 . . 5.500 4.218 2.940 4.860 . 0 0 "[ . 1 . 2]" 1
703 1 30 GLU H 1 30 GLU QG . . 4.720 2.580 2.113 4.111 . 0 0 "[ . 1 . 2]" 1
704 1 30 GLU H 1 31 PHE H . . 4.660 4.447 4.202 4.669 0.009 12 0 "[ . 1 . 2]" 1
705 1 30 GLU H 1 31 PHE QD . . 5.490 4.241 3.558 4.851 . 0 0 "[ . 1 . 2]" 1
706 1 30 GLU H 1 78 VAL H . . 5.360 4.748 4.434 5.107 . 0 0 "[ . 1 . 2]" 1
707 1 30 GLU HA 1 30 GLU QG . . 3.820 3.271 2.392 3.494 . 0 0 "[ . 1 . 2]" 1
708 1 30 GLU HA 1 31 PHE H . . 2.870 2.307 2.145 2.522 . 0 0 "[ . 1 . 2]" 1
709 1 30 GLU HA 1 31 PHE QD . . 4.080 3.478 2.911 4.088 0.008 1 0 "[ . 1 . 2]" 1
710 1 30 GLU HA 1 76 TRP H . . 5.500 4.921 4.645 5.318 . 0 0 "[ . 1 . 2]" 1
711 1 30 GLU HA 1 77 LYS HA . . 3.030 2.570 2.145 2.884 . 0 0 "[ . 1 . 2]" 1
712 1 30 GLU HA 1 77 LYS HB2 . . 5.080 4.821 4.238 5.153 0.073 16 0 "[ . 1 . 2]" 1
713 1 30 GLU HA 1 78 VAL H . . 3.780 2.747 2.325 3.034 . 0 0 "[ . 1 . 2]" 1
714 1 30 GLU HA 1 78 VAL MG2 . . 5.240 3.035 2.454 4.016 . 0 0 "[ . 1 . 2]" 1
715 1 30 GLU HB2 1 31 PHE H . . 4.000 2.801 2.195 4.058 0.058 5 0 "[ . 1 . 2]" 1
716 1 30 GLU HB3 1 77 LYS HG3 . . 4.030 3.206 2.135 4.095 0.065 18 0 "[ . 1 . 2]" 1
717 1 30 GLU QG 1 31 PHE H . . 4.360 3.699 2.421 4.424 0.064 17 0 "[ . 1 . 2]" 1
718 1 31 PHE H 1 31 PHE QD . . 4.440 3.365 2.924 3.611 . 0 0 "[ . 1 . 2]" 1
719 1 31 PHE H 1 31 PHE QE . . 5.070 4.620 4.428 4.936 . 0 0 "[ . 1 . 2]" 1
720 1 31 PHE H 1 32 ASP H . . 4.300 4.277 4.197 4.350 0.050 20 0 "[ . 1 . 2]" 1
721 1 31 PHE H 1 32 ASP HA . . 5.500 4.464 4.266 4.651 . 0 0 "[ . 1 . 2]" 1
722 1 31 PHE H 1 75 ARG HG3 . . 4.710 4.602 3.772 4.794 0.084 14 0 "[ . 1 . 2]" 1
723 1 31 PHE H 1 76 TRP H . . 3.800 3.147 2.868 3.446 . 0 0 "[ . 1 . 2]" 1
724 1 31 PHE H 1 76 TRP HB2 . . 4.820 3.920 3.469 4.451 . 0 0 "[ . 1 . 2]" 1
725 1 31 PHE H 1 77 LYS HA . . 4.550 3.592 3.276 4.077 . 0 0 "[ . 1 . 2]" 1
726 1 31 PHE H 1 78 VAL H . . 4.590 4.564 4.294 4.679 0.089 16 0 "[ . 1 . 2]" 1
727 1 31 PHE HA 1 31 PHE QD . . 4.330 3.773 3.711 3.806 . 0 0 "[ . 1 . 2]" 1
728 1 31 PHE HA 1 32 ASP H . . 3.010 2.809 2.586 2.912 . 0 0 "[ . 1 . 2]" 1
729 1 31 PHE HA 1 32 ASP HA . . 5.050 4.610 4.451 4.689 . 0 0 "[ . 1 . 2]" 1
730 1 31 PHE HA 1 32 ASP HB3 . . 5.090 4.745 4.231 6.018 0.928 4 2 "[ +- 1 . 2]" 1
731 1 31 PHE HB2 1 32 ASP H . . 4.060 2.028 1.937 2.203 . 0 0 "[ . 1 . 2]" 1
732 1 31 PHE HB3 1 32 ASP H . . 3.470 3.526 3.464 3.662 0.192 5 0 "[ . 1 . 2]" 1
733 1 31 PHE QD 1 33 TRP H . . 4.300 4.084 3.262 4.393 0.093 5 0 "[ . 1 . 2]" 1
734 1 31 PHE QD 1 33 TRP HA . . 4.670 3.963 3.623 4.389 . 0 0 "[ . 1 . 2]" 1
735 1 31 PHE QD 1 33 TRP HE3 . . 3.850 3.024 2.303 3.917 0.067 13 0 "[ . 1 . 2]" 1
736 1 31 PHE QD 1 76 TRP HB2 . . 4.420 3.023 2.478 3.403 . 0 0 "[ . 1 . 2]" 1
737 1 31 PHE QD 1 78 VAL MG2 . . 4.540 3.518 3.020 3.947 . 0 0 "[ . 1 . 2]" 1
738 1 31 PHE QE 1 33 TRP HB2 . . 4.740 2.667 2.383 3.198 . 0 0 "[ . 1 . 2]" 1
739 1 31 PHE QE 1 33 TRP HB3 . . 4.020 4.170 3.714 4.822 0.802 15 3 "[ .* 1 + - 2]" 1
740 1 31 PHE QE 1 76 TRP HB2 . . 4.670 2.934 2.430 3.432 . 0 0 "[ . 1 . 2]" 1
741 1 31 PHE QE 1 78 VAL MG2 . . 3.150 2.335 1.931 3.164 0.014 7 0 "[ . 1 . 2]" 1
742 1 31 PHE HZ 1 76 TRP HB3 . . 4.750 3.527 3.044 4.566 . 0 0 "[ . 1 . 2]" 1
743 1 31 PHE HZ 1 76 TRP HE3 . . 3.950 3.106 2.319 4.034 0.084 19 0 "[ . 1 . 2]" 1
744 1 31 PHE HZ 1 78 VAL MG2 . . 3.800 3.112 2.545 3.754 . 0 0 "[ . 1 . 2]" 1
745 1 32 ASP H 1 32 ASP HB2 . . 3.790 3.664 2.609 3.869 0.079 17 0 "[ . 1 . 2]" 1
746 1 32 ASP H 1 32 ASP HB3 . . 3.300 3.284 2.658 3.811 0.511 4 1 "[ +. 1 . 2]" 1
747 1 32 ASP H 1 33 TRP H . . 5.060 4.323 4.195 4.404 . 0 0 "[ . 1 . 2]" 1
748 1 32 ASP HA 1 33 TRP H . . 2.990 2.300 2.101 2.495 . 0 0 "[ . 1 . 2]" 1
749 1 32 ASP HA 1 75 ARG H . . 5.500 4.689 4.481 4.862 . 0 0 "[ . 1 . 2]" 1
750 1 32 ASP HA 1 75 ARG HA . . 3.040 1.982 1.803 2.146 . 0 0 "[ . 1 . 2]" 1
751 1 32 ASP HA 1 75 ARG QB . . 4.840 4.047 3.112 4.270 . 0 0 "[ . 1 . 2]" 1
752 1 32 ASP HA 1 75 ARG HG2 . . 4.880 4.697 4.167 4.976 0.096 5 0 "[ . 1 . 2]" 1
753 1 32 ASP HA 1 75 ARG HG3 . . 4.200 3.228 2.681 4.285 0.085 5 0 "[ . 1 . 2]" 1
754 1 32 ASP HA 1 76 TRP H . . 4.150 2.739 2.290 3.284 . 0 0 "[ . 1 . 2]" 1
755 1 32 ASP HA 1 76 TRP HB2 . . 4.470 3.359 2.354 4.505 0.035 1 0 "[ . 1 . 2]" 1
756 1 32 ASP HB2 1 33 TRP H . . 3.680 3.051 2.545 3.904 0.224 5 0 "[ . 1 . 2]" 1
757 1 32 ASP HB2 1 75 ARG HA . . 5.190 3.117 2.301 4.499 . 0 0 "[ . 1 . 2]" 1
758 1 32 ASP HB3 1 33 TRP H . . 4.220 3.872 2.686 4.283 0.063 1 0 "[ . 1 . 2]" 1
759 1 32 ASP HB3 1 75 ARG HA . . 5.500 2.901 2.305 4.068 . 0 0 "[ . 1 . 2]" 1
760 1 33 TRP H 1 33 TRP HB2 . . 3.540 2.954 2.484 3.198 . 0 0 "[ . 1 . 2]" 1
761 1 33 TRP H 1 33 TRP HB3 . . 3.980 2.841 2.665 3.100 . 0 0 "[ . 1 . 2]" 1
762 1 33 TRP H 1 34 TYR H . . 5.140 4.447 4.293 4.616 . 0 0 "[ . 1 . 2]" 1
763 1 33 TRP H 1 74 CYS H . . 4.030 3.347 2.971 4.008 . 0 0 "[ . 1 . 2]" 1
764 1 33 TRP H 1 75 ARG HA . . 3.900 3.246 2.770 3.692 . 0 0 "[ . 1 . 2]" 1
765 1 33 TRP H 1 76 TRP HA . . 5.500 5.574 5.524 5.601 0.101 1 0 "[ . 1 . 2]" 1
766 1 33 TRP H 1 76 TRP HD1 . . 3.690 3.452 2.950 3.757 0.067 15 0 "[ . 1 . 2]" 1
767 1 33 TRP HA 1 33 TRP HE3 . . 3.930 2.850 2.604 3.063 . 0 0 "[ . 1 . 2]" 1
768 1 33 TRP HA 1 33 TRP HZ3 . . 5.100 4.966 4.488 5.172 0.072 7 0 "[ . 1 . 2]" 1
769 1 33 TRP HA 1 34 TYR H . . 3.060 2.285 2.146 2.663 . 0 0 "[ . 1 . 2]" 1
770 1 33 TRP HA 1 34 TYR HB2 . . 4.780 4.318 3.932 4.752 . 0 0 "[ . 1 . 2]" 1
771 1 33 TRP HA 1 34 TYR HB3 . . 5.210 4.712 4.401 4.921 . 0 0 "[ . 1 . 2]" 1
772 1 33 TRP HB2 1 34 TYR H . . 5.390 4.111 3.866 4.367 . 0 0 "[ . 1 . 2]" 1
773 1 33 TRP HB2 1 35 TYR QE . . 5.320 4.751 4.027 5.392 0.072 9 0 "[ . 1 . 2]" 1
774 1 33 TRP HB2 1 76 TRP HD1 . . 4.900 3.550 3.149 3.974 . 0 0 "[ . 1 . 2]" 1
775 1 33 TRP HB2 1 76 TRP HE1 . . 5.060 4.748 4.262 5.134 0.074 8 0 "[ . 1 . 2]" 1
776 1 33 TRP HB3 1 34 TYR H . . 4.790 3.726 3.193 4.242 . 0 0 "[ . 1 . 2]" 1
777 1 33 TRP HB3 1 35 TYR QE . . 4.110 3.399 2.722 4.100 . 0 0 "[ . 1 . 2]" 1
778 1 33 TRP HB3 1 76 TRP HD1 . . 3.760 3.039 2.425 3.638 . 0 0 "[ . 1 . 2]" 1
779 1 33 TRP HE1 1 34 TYR H . . 5.150 4.321 3.744 5.139 . 0 0 "[ . 1 . 2]" 1
780 1 33 TRP HE1 1 35 TYR HA . . 4.670 3.625 2.918 4.186 . 0 0 "[ . 1 . 2]" 1
781 1 33 TRP HE1 1 35 TYR HB3 . . 5.500 5.255 4.630 5.572 0.072 14 0 "[ . 1 . 2]" 1
782 1 33 TRP HE1 1 35 TYR QE . . 4.010 3.134 2.502 3.684 . 0 0 "[ . 1 . 2]" 1
783 1 34 TYR H 1 34 TYR HB2 . . 4.040 2.950 2.476 3.337 . 0 0 "[ . 1 . 2]" 1
784 1 34 TYR H 1 34 TYR HB3 . . 3.670 2.761 2.477 3.059 . 0 0 "[ . 1 . 2]" 1
785 1 34 TYR H 1 35 TYR H . . 5.500 4.215 3.696 4.560 . 0 0 "[ . 1 . 2]" 1
786 1 34 TYR HA 1 34 TYR QD . . 3.210 2.996 2.396 3.192 . 0 0 "[ . 1 . 2]" 1
787 1 34 TYR HA 1 35 TYR H . . 3.120 2.212 2.120 2.354 . 0 0 "[ . 1 . 2]" 1
788 1 34 TYR HA 1 35 TYR HA . . 5.070 4.510 4.407 4.560 . 0 0 "[ . 1 . 2]" 1
789 1 34 TYR HA 1 73 ARG QD . . 5.500 5.026 3.549 5.534 0.034 4 0 "[ . 1 . 2]" 1
790 1 34 TYR HB2 1 35 TYR H . . 5.090 4.386 4.098 4.684 . 0 0 "[ . 1 . 2]" 1
791 1 34 TYR HB2 1 73 ARG HA . . 4.860 3.821 3.388 4.268 . 0 0 "[ . 1 . 2]" 1
792 1 34 TYR HB2 1 73 ARG QB . . 4.690 3.877 2.542 4.584 . 0 0 "[ . 1 . 2]" 1
793 1 34 TYR HB3 1 35 TYR H . . 5.050 4.157 3.604 4.451 . 0 0 "[ . 1 . 2]" 1
794 1 34 TYR HB3 1 73 ARG HA . . 5.500 4.968 4.701 5.244 . 0 0 "[ . 1 . 2]" 1
795 1 34 TYR QD 1 35 TYR H . . 4.030 3.175 2.542 3.896 . 0 0 "[ . 1 . 2]" 1
796 1 34 TYR QD 1 36 ASP HA . . 4.310 3.688 3.032 4.397 0.087 12 0 "[ . 1 . 2]" 1
797 1 34 TYR QD 1 36 ASP QB . . 5.030 2.520 2.117 3.139 . 0 0 "[ . 1 . 2]" 1
798 1 34 TYR QD 1 73 ARG HA . . 4.020 3.357 2.187 4.121 0.101 14 0 "[ . 1 . 2]" 1
799 1 34 TYR QD 1 73 ARG QB . . 3.000 2.503 2.105 2.996 . 0 0 "[ . 1 . 2]" 1
800 1 34 TYR QD 1 73 ARG QD . . 4.460 3.342 2.243 4.447 . 0 0 "[ . 1 . 2]" 1
801 1 34 TYR QE 1 36 ASP HA . . 3.470 2.980 2.123 3.552 0.082 15 0 "[ . 1 . 2]" 1
802 1 34 TYR QE 1 36 ASP QB . . 3.640 2.702 2.101 3.366 . 0 0 "[ . 1 . 2]" 1
803 1 34 TYR QE 1 71 GLY HA2 . . 3.430 2.722 2.116 3.384 . 0 0 "[ . 1 . 2]" 1
804 1 34 TYR QE 1 71 GLY HA3 . . 4.400 4.123 3.495 4.499 0.099 17 0 "[ . 1 . 2]" 1
805 1 34 TYR QE 1 73 ARG HA . . 5.500 4.590 3.772 5.335 . 0 0 "[ . 1 . 2]" 1
806 1 34 TYR QE 1 73 ARG QB . . 5.500 2.891 2.197 4.140 . 0 0 "[ . 1 . 2]" 1
807 1 35 TYR H 1 35 TYR HB2 . . 3.510 2.523 2.324 2.857 . 0 0 "[ . 1 . 2]" 1
808 1 35 TYR H 1 35 TYR HB3 . . 4.050 3.688 3.589 3.886 . 0 0 "[ . 1 . 2]" 1
809 1 35 TYR H 1 35 TYR QD . . 4.120 2.933 2.346 3.494 . 0 0 "[ . 1 . 2]" 1
810 1 35 TYR H 1 36 ASP H . . 5.090 4.283 3.936 4.529 . 0 0 "[ . 1 . 2]" 1
811 1 35 TYR H 1 72 LEU H . . 5.140 2.928 2.653 3.278 . 0 0 "[ . 1 . 2]" 1
812 1 35 TYR H 1 72 LEU HB3 . . 5.080 3.553 2.922 3.946 . 0 0 "[ . 1 . 2]" 1
813 1 35 TYR H 1 72 LEU HG . . 5.290 4.860 4.251 5.378 0.088 8 0 "[ . 1 . 2]" 1
814 1 35 TYR H 1 73 ARG HA . . 4.370 3.638 3.391 4.096 . 0 0 "[ . 1 . 2]" 1
815 1 35 TYR HA 1 35 TYR QD . . 3.870 2.650 2.181 2.961 . 0 0 "[ . 1 . 2]" 1
816 1 35 TYR HA 1 36 ASP H . . 2.990 2.210 2.153 2.358 . 0 0 "[ . 1 . 2]" 1
817 1 35 TYR HA 1 37 THR H . . 4.050 3.485 3.210 3.861 . 0 0 "[ . 1 . 2]" 1
818 1 35 TYR HB2 1 37 THR H . . 5.340 4.555 3.971 5.120 . 0 0 "[ . 1 . 2]" 1
819 1 35 TYR HB2 1 71 GLY H . . 4.280 3.654 3.208 4.161 . 0 0 "[ . 1 . 2]" 1
820 1 35 TYR HB2 1 72 LEU H . . 3.760 3.059 2.546 3.416 . 0 0 "[ . 1 . 2]" 1
821 1 35 TYR HB2 1 72 LEU HB2 . . 5.270 3.965 3.418 4.360 . 0 0 "[ . 1 . 2]" 1
822 1 35 TYR HB2 1 72 LEU HB3 . . 4.350 2.500 2.221 2.771 . 0 0 "[ . 1 . 2]" 1
823 1 35 TYR HB3 1 36 ASP H . . 4.790 3.616 3.154 4.049 . 0 0 "[ . 1 . 2]" 1
824 1 35 TYR HB3 1 71 GLY H . . 4.510 3.836 3.295 4.209 . 0 0 "[ . 1 . 2]" 1
825 1 35 TYR HB3 1 72 LEU H . . 4.520 4.328 3.850 4.578 0.058 14 0 "[ . 1 . 2]" 1
826 1 35 TYR QD 1 39 GLU HB2 . . 5.110 3.045 2.426 4.292 . 0 0 "[ . 1 . 2]" 1
827 1 35 TYR QD 1 72 LEU HB2 . . 4.630 4.463 4.108 4.706 0.076 14 0 "[ . 1 . 2]" 1
828 1 35 TYR QD 1 72 LEU HB3 . . 3.510 2.808 2.396 3.117 . 0 0 "[ . 1 . 2]" 1
829 1 35 TYR QD 1 72 LEU QD . . 4.080 2.602 2.057 3.459 . 0 0 "[ . 1 . 2]" 1
830 1 35 TYR QE 1 39 GLU HB2 . . 5.130 4.216 3.437 5.127 . 0 0 "[ . 1 . 2]" 1
831 1 35 TYR QE 1 72 LEU QD . . 4.590 3.526 2.588 4.415 . 0 0 "[ . 1 . 2]" 1
832 1 36 ASP H 1 36 ASP QB . . 3.780 2.680 2.315 3.042 . 0 0 "[ . 1 . 2]" 1
833 1 36 ASP H 1 37 THR H . . 3.290 2.247 1.961 2.718 . 0 0 "[ . 1 . 2]" 1
834 1 36 ASP H 1 37 THR MG . . 5.160 5.009 4.463 5.264 0.104 11 0 "[ . 1 . 2]" 1
835 1 36 ASP H 1 70 LYS HG3 . . 5.470 5.508 5.369 5.558 0.088 4 0 "[ . 1 . 2]" 1
836 1 36 ASP HA 1 70 LYS HA . . 4.840 3.763 2.956 4.241 . 0 0 "[ . 1 . 2]" 1
837 1 36 ASP HA 1 70 LYS QE . . 5.150 5.041 4.572 5.231 0.081 6 0 "[ . 1 . 2]" 1
838 1 36 ASP HA 1 70 LYS HG2 . . 5.500 4.586 4.087 5.091 . 0 0 "[ . 1 . 2]" 1
839 1 36 ASP HA 1 70 LYS HG3 . . 4.140 3.850 3.289 4.197 0.057 1 0 "[ . 1 . 2]" 1
840 1 36 ASP HA 1 71 GLY H . . 4.980 2.887 2.074 3.398 . 0 0 "[ . 1 . 2]" 1
841 1 36 ASP QB 1 37 THR H . . 4.410 3.805 3.329 4.031 . 0 0 "[ . 1 . 2]" 1
842 1 36 ASP QB 1 37 THR MG . . 4.570 4.355 4.007 4.488 . 0 0 "[ . 1 . 2]" 1
843 1 37 THR H 1 37 THR MG . . 3.880 3.727 3.388 3.902 0.022 5 0 "[ . 1 . 2]" 1
844 1 37 THR H 1 38 ASN HA . . 5.140 4.858 4.699 5.178 0.038 13 0 "[ . 1 . 2]" 1
845 1 37 THR H 1 70 LYS HA . . 4.150 3.194 2.795 3.749 . 0 0 "[ . 1 . 2]" 1
846 1 37 THR H 1 70 LYS HG3 . . 4.730 3.943 3.681 4.125 . 0 0 "[ . 1 . 2]" 1
847 1 37 THR HA 1 37 THR MG . . 3.260 2.089 2.023 2.161 . 0 0 "[ . 1 . 2]" 1
848 1 37 THR HA 1 38 ASN H . . 3.260 2.498 2.272 2.688 . 0 0 "[ . 1 . 2]" 1
849 1 37 THR HA 1 38 ASN HA . . 4.360 4.309 4.178 4.405 0.045 2 0 "[ . 1 . 2]" 1
850 1 37 THR HA 1 38 ASN HB2 . . 5.080 5.121 5.016 5.161 0.081 12 0 "[ . 1 . 2]" 1
851 1 37 THR HA 1 38 ASN HD21 . . 5.500 4.452 3.867 5.240 . 0 0 "[ . 1 . 2]" 1
852 1 37 THR HA 1 70 LYS HA . . 5.110 2.545 2.114 2.806 . 0 0 "[ . 1 . 2]" 1
853 1 37 THR HA 1 70 LYS HB2 . . 4.680 2.584 2.434 2.876 . 0 0 "[ . 1 . 2]" 1
854 1 37 THR HA 1 70 LYS HB3 . . 4.270 3.973 3.860 4.191 . 0 0 "[ . 1 . 2]" 1
855 1 37 THR HA 1 70 LYS HD2 . . 3.580 2.712 2.592 2.797 . 0 0 "[ . 1 . 2]" 1
856 1 37 THR HA 1 70 LYS HD3 . . 4.030 4.092 3.992 4.119 0.089 18 0 "[ . 1 . 2]" 1
857 1 37 THR HA 1 70 LYS QE . . 4.260 3.327 3.070 3.718 . 0 0 "[ . 1 . 2]" 1
858 1 37 THR HA 1 70 LYS HG2 . . 4.440 3.660 3.606 3.745 . 0 0 "[ . 1 . 2]" 1
859 1 37 THR HA 1 70 LYS HG3 . . 3.600 1.990 1.906 2.087 . 0 0 "[ . 1 . 2]" 1
860 1 37 THR HB 1 38 ASN H . . 2.940 2.380 2.147 2.936 . 0 0 "[ . 1 . 2]" 1
861 1 37 THR HB 1 38 ASN HB2 . . 5.090 4.364 4.106 4.741 . 0 0 "[ . 1 . 2]" 1
862 1 37 THR HB 1 38 ASN HD21 . . 5.500 4.045 3.461 4.598 . 0 0 "[ . 1 . 2]" 1
863 1 37 THR HB 1 88 LEU HB3 . . 5.240 3.787 2.824 4.504 . 0 0 "[ . 1 . 2]" 1
864 1 37 THR HB 1 88 LEU MD2 . . 5.260 3.789 2.935 4.870 . 0 0 "[ . 1 . 2]" 1
865 1 37 THR HB 1 89 PHE H . . 3.600 3.391 2.890 3.668 0.068 8 0 "[ . 1 . 2]" 1
866 1 37 THR MG 1 38 ASN H . . 4.500 2.815 2.286 3.480 . 0 0 "[ . 1 . 2]" 1
867 1 37 THR MG 1 70 LYS HB2 . . 3.750 3.587 3.294 3.814 0.064 14 0 "[ . 1 . 2]" 1
868 1 37 THR MG 1 70 LYS HD2 . . 4.010 2.309 1.989 2.539 . 0 0 "[ . 1 . 2]" 1
869 1 37 THR MG 1 70 LYS HG3 . . 2.560 2.643 2.160 2.680 0.120 4 0 "[ . 1 . 2]" 1
870 1 38 ASN H 1 38 ASN HB2 . . 3.570 2.655 2.509 2.830 . 0 0 "[ . 1 . 2]" 1
871 1 38 ASN H 1 38 ASN HB3 . . 3.930 3.589 3.523 3.656 . 0 0 "[ . 1 . 2]" 1
872 1 38 ASN H 1 38 ASN HD21 . . 3.870 2.419 2.010 3.064 . 0 0 "[ . 1 . 2]" 1
873 1 38 ASN H 1 38 ASN HD22 . . 4.670 3.347 2.834 3.853 . 0 0 "[ . 1 . 2]" 1
874 1 38 ASN H 1 39 GLU H . . 5.320 4.477 4.022 4.645 . 0 0 "[ . 1 . 2]" 1
875 1 38 ASN H 1 70 LYS HA . . 5.500 3.950 3.378 4.224 . 0 0 "[ . 1 . 2]" 1
876 1 38 ASN H 1 70 LYS HB3 . . 4.900 4.851 4.463 4.964 0.064 5 0 "[ . 1 . 2]" 1
877 1 38 ASN H 1 70 LYS HD3 . . 5.500 5.060 4.651 5.393 . 0 0 "[ . 1 . 2]" 1
878 1 38 ASN H 1 70 LYS HG3 . . 5.500 4.209 3.899 4.438 . 0 0 "[ . 1 . 2]" 1
879 1 38 ASN HA 1 38 ASN HD22 . . 5.310 4.777 4.548 4.946 . 0 0 "[ . 1 . 2]" 1
880 1 38 ASN HA 1 39 GLU H . . 3.240 2.233 2.134 2.333 . 0 0 "[ . 1 . 2]" 1
881 1 38 ASN HA 1 67 THR MG . . 3.820 3.901 3.652 3.938 0.118 18 0 "[ . 1 . 2]" 1
882 1 38 ASN HA 1 70 LYS HA . . 4.540 3.976 3.705 4.301 . 0 0 "[ . 1 . 2]" 1
883 1 38 ASN HA 1 89 PHE H . . 5.430 4.977 4.678 5.399 . 0 0 "[ . 1 . 2]" 1
884 1 38 ASN HA 1 89 PHE QE . . 4.490 4.393 3.736 4.584 0.094 5 0 "[ . 1 . 2]" 1
885 1 38 ASN HB2 1 39 GLU H . . 4.480 4.076 3.589 4.398 . 0 0 "[ . 1 . 2]" 1
886 1 38 ASN HB2 1 89 PHE H . . 4.250 3.052 2.756 3.739 . 0 0 "[ . 1 . 2]" 1
887 1 38 ASN HB2 1 89 PHE QD . . 4.100 3.110 2.845 3.484 . 0 0 "[ . 1 . 2]" 1
888 1 38 ASN HB2 1 89 PHE QE . . 4.290 3.258 3.011 3.452 . 0 0 "[ . 1 . 2]" 1
889 1 38 ASN HB2 1 89 PHE HZ . . 4.570 3.973 3.388 4.326 . 0 0 "[ . 1 . 2]" 1
890 1 38 ASN HB3 1 39 GLU H . . 3.800 3.421 2.832 3.892 0.092 5 0 "[ . 1 . 2]" 1
891 1 38 ASN HB3 1 67 THR MG . . 3.780 3.232 2.827 3.573 . 0 0 "[ . 1 . 2]" 1
892 1 38 ASN HB3 1 89 PHE QD . . 4.460 3.862 3.490 4.331 . 0 0 "[ . 1 . 2]" 1
893 1 38 ASN HB3 1 89 PHE QE . . 3.960 2.912 2.480 3.298 . 0 0 "[ . 1 . 2]" 1
894 1 38 ASN HB3 1 89 PHE HZ . . 4.150 3.076 2.476 3.643 . 0 0 "[ . 1 . 2]" 1
895 1 38 ASN HD21 1 89 PHE H . . 4.610 3.845 3.495 4.583 . 0 0 "[ . 1 . 2]" 1
896 1 38 ASN HD21 1 89 PHE QE . . 5.480 4.591 3.864 5.057 . 0 0 "[ . 1 . 2]" 1
897 1 38 ASN HD22 1 70 LYS HB2 . . 5.490 3.465 2.793 4.068 . 0 0 "[ . 1 . 2]" 1
898 1 38 ASN HD22 1 70 LYS HB3 . . 5.040 4.524 4.104 5.051 0.011 14 0 "[ . 1 . 2]" 1
899 1 38 ASN HD22 1 70 LYS HD2 . . 5.050 3.469 2.763 4.656 . 0 0 "[ . 1 . 2]" 1
900 1 39 GLU H 1 39 GLU HB3 . . 3.770 2.798 2.550 2.961 . 0 0 "[ . 1 . 2]" 1
901 1 39 GLU H 1 40 THR H . . 5.500 4.002 3.699 4.376 . 0 0 "[ . 1 . 2]" 1
902 1 39 GLU H 1 67 THR HA . . 5.000 4.325 3.889 5.042 0.042 5 0 "[ . 1 . 2]" 1
903 1 39 GLU H 1 67 THR MG . . 4.770 3.508 2.937 4.714 . 0 0 "[ . 1 . 2]" 1
904 1 39 GLU H 1 68 PHE H . . 3.830 3.212 2.672 3.872 0.042 2 0 "[ . 1 . 2]" 1
905 1 39 GLU H 1 68 PHE HB2 . . 3.900 3.148 2.459 3.567 . 0 0 "[ . 1 . 2]" 1
906 1 39 GLU H 1 68 PHE HB3 . . 4.980 4.522 3.875 5.046 0.066 13 0 "[ . 1 . 2]" 1
907 1 39 GLU H 1 88 LEU MD2 . . 5.500 4.827 3.886 5.539 0.039 12 0 "[ . 1 . 2]" 1
908 1 39 GLU H 1 89 PHE QE . . 5.290 3.895 3.049 5.335 0.045 5 0 "[ . 1 . 2]" 1
909 1 39 GLU HA 1 39 GLU HG2 . . 4.210 3.051 2.915 3.317 . 0 0 "[ . 1 . 2]" 1
910 1 39 GLU HA 1 39 GLU HG3 . . 3.830 2.368 2.265 2.496 . 0 0 "[ . 1 . 2]" 1
911 1 39 GLU HA 1 40 THR H . . 2.810 2.190 2.097 2.420 . 0 0 "[ . 1 . 2]" 1
912 1 39 GLU HA 1 40 THR HB . . 4.800 4.575 4.379 4.786 . 0 0 "[ . 1 . 2]" 1
913 1 39 GLU HA 1 67 THR MG . . 5.500 4.835 4.342 5.590 0.090 5 0 "[ . 1 . 2]" 1
914 1 39 GLU HA 1 87 ASN HA . . 5.500 5.345 5.153 5.545 0.045 12 0 "[ . 1 . 2]" 1
915 1 39 GLU HA 1 88 LEU MD2 . . 3.840 3.091 2.410 3.757 . 0 0 "[ . 1 . 2]" 1
916 1 39 GLU HA 1 89 PHE H . . 4.480 3.836 3.164 4.322 . 0 0 "[ . 1 . 2]" 1
917 1 39 GLU HA 1 89 PHE QD . . 5.350 3.376 2.438 4.479 . 0 0 "[ . 1 . 2]" 1
918 1 39 GLU HA 1 89 PHE QE . . 5.050 3.571 2.982 4.936 . 0 0 "[ . 1 . 2]" 1
919 1 39 GLU HB2 1 88 LEU MD2 . . 3.980 2.525 2.101 3.261 . 0 0 "[ . 1 . 2]" 1
920 1 39 GLU HB3 1 68 PHE H . . 4.510 3.782 3.382 4.585 0.075 6 0 "[ . 1 . 2]" 1
921 1 39 GLU HB3 1 68 PHE HB2 . . 4.060 2.896 2.240 3.847 . 0 0 "[ . 1 . 2]" 1
922 1 39 GLU HB3 1 68 PHE QD . . 3.840 2.924 2.341 3.700 . 0 0 "[ . 1 . 2]" 1
923 1 39 GLU HB3 1 68 PHE QE . . 5.490 4.962 4.208 5.570 0.080 17 0 "[ . 1 . 2]" 1
924 1 39 GLU HB3 1 88 LEU MD2 . . 4.570 3.898 3.479 4.424 . 0 0 "[ . 1 . 2]" 1
925 1 39 GLU HG2 1 40 THR HA . . 4.970 4.479 3.902 5.004 0.034 17 0 "[ . 1 . 2]" 1
926 1 39 GLU HG2 1 41 CYS H . . 5.500 4.861 3.968 5.573 0.073 13 0 "[ . 1 . 2]" 1
927 1 39 GLU HG2 1 41 CYS QB . . 4.510 3.367 2.783 4.076 . 0 0 "[ . 1 . 2]" 1
928 1 39 GLU HG2 1 68 PHE QD . . 5.500 3.899 3.184 4.587 . 0 0 "[ . 1 . 2]" 1
929 1 39 GLU HG2 1 86 TYR HB2 . . 4.770 2.851 2.445 3.376 . 0 0 "[ . 1 . 2]" 1
930 1 39 GLU HG2 1 86 TYR HB3 . . 4.850 4.257 3.804 4.657 . 0 0 "[ . 1 . 2]" 1
931 1 39 GLU HG2 1 87 ASN H . . 5.150 3.465 3.095 4.207 . 0 0 "[ . 1 . 2]" 1
932 1 39 GLU HG3 1 40 THR H . . 4.160 3.551 3.083 4.082 . 0 0 "[ . 1 . 2]" 1
933 1 39 GLU HG3 1 40 THR HA . . 5.480 5.436 5.138 5.570 0.090 6 0 "[ . 1 . 2]" 1
934 1 39 GLU HG3 1 41 CYS QB . . 5.090 4.599 3.828 5.018 . 0 0 "[ . 1 . 2]" 1
935 1 39 GLU HG3 1 86 TYR HB2 . . 4.390 3.021 2.545 3.563 . 0 0 "[ . 1 . 2]" 1
936 1 39 GLU HG3 1 86 TYR QD . . 5.320 2.715 2.225 3.296 . 0 0 "[ . 1 . 2]" 1
937 1 39 GLU HG3 1 87 ASN H . . 4.730 3.151 2.567 3.747 . 0 0 "[ . 1 . 2]" 1
938 1 39 GLU HG3 1 88 LEU MD2 . . 3.860 2.454 2.134 3.029 . 0 0 "[ . 1 . 2]" 1
939 1 40 THR H 1 40 THR HB . . 3.480 2.448 2.313 2.591 . 0 0 "[ . 1 . 2]" 1
940 1 40 THR H 1 40 THR MG . . 4.530 3.790 3.721 3.845 . 0 0 "[ . 1 . 2]" 1
941 1 40 THR H 1 41 CYS H . . 5.350 4.559 4.300 4.812 . 0 0 "[ . 1 . 2]" 1
942 1 40 THR H 1 87 ASN H . . 3.970 3.159 2.773 3.904 . 0 0 "[ . 1 . 2]" 1
943 1 40 THR H 1 87 ASN HB3 . . 4.650 3.843 3.447 4.329 . 0 0 "[ . 1 . 2]" 1
944 1 40 THR H 1 88 LEU HA . . 4.620 3.994 3.467 4.371 . 0 0 "[ . 1 . 2]" 1
945 1 40 THR H 1 89 PHE QD . . 4.480 3.162 2.646 4.118 . 0 0 "[ . 1 . 2]" 1
946 1 40 THR H 1 89 PHE QE . . 3.920 2.632 1.894 3.858 . 0 0 "[ . 1 . 2]" 1
947 1 40 THR HA 1 40 THR MG . . 3.500 2.477 2.270 2.585 . 0 0 "[ . 1 . 2]" 1
948 1 40 THR HA 1 41 CYS H . . 2.850 2.322 2.191 2.647 . 0 0 "[ . 1 . 2]" 1
949 1 40 THR HA 1 66 VAL QG . . 5.500 4.541 3.742 5.070 . 0 0 "[ . 1 . 2]" 1
950 1 40 THR HA 1 67 THR HA . . 3.080 2.277 2.044 2.685 . 0 0 "[ . 1 . 2]" 1
951 1 40 THR HA 1 67 THR MG . . 4.360 3.180 2.626 3.888 . 0 0 "[ . 1 . 2]" 1
952 1 40 THR HA 1 68 PHE H . . 3.920 3.697 3.362 3.973 0.053 2 0 "[ . 1 . 2]" 1
953 1 40 THR HA 1 89 PHE QE . . 5.090 3.862 3.481 4.507 . 0 0 "[ . 1 . 2]" 1
954 1 40 THR HB 1 41 CYS H . . 5.000 4.177 3.880 4.405 . 0 0 "[ . 1 . 2]" 1
955 1 40 THR HB 1 87 ASN H . . 4.710 3.748 3.272 4.249 . 0 0 "[ . 1 . 2]" 1
956 1 40 THR HB 1 87 ASN HB2 . . 4.490 4.484 4.061 4.571 0.081 3 0 "[ . 1 . 2]" 1
957 1 40 THR HB 1 87 ASN HB3 . . 3.800 3.203 2.365 3.649 . 0 0 "[ . 1 . 2]" 1
958 1 40 THR HB 1 87 ASN HD21 . . 5.300 4.877 3.807 5.379 0.079 7 0 "[ . 1 . 2]" 1
959 1 40 THR HB 1 89 PHE QD . . 4.870 4.138 3.824 4.382 . 0 0 "[ . 1 . 2]" 1
960 1 40 THR HB 1 89 PHE QE . . 3.600 3.381 2.118 3.694 0.094 17 0 "[ . 1 . 2]" 1
961 1 40 THR MG 1 41 CYS H . . 3.560 2.597 2.009 2.985 . 0 0 "[ . 1 . 2]" 1
962 1 40 THR MG 1 41 CYS HA . . 4.910 3.295 2.872 3.803 . 0 0 "[ . 1 . 2]" 1
963 1 40 THR MG 1 65 LEU HA . . 5.470 4.724 3.976 5.029 . 0 0 "[ . 1 . 2]" 1
964 1 40 THR MG 1 65 LEU QD . . 3.100 1.995 1.836 2.148 . 0 0 "[ . 1 . 2]" 1
965 1 40 THR MG 1 66 VAL H . . 4.490 3.820 3.091 4.267 . 0 0 "[ . 1 . 2]" 1
966 1 40 THR MG 1 67 THR HA . . 4.700 3.764 3.346 4.009 . 0 0 "[ . 1 . 2]" 1
967 1 40 THR MG 1 89 PHE QE . . 4.200 4.155 3.753 4.269 0.069 10 0 "[ . 1 . 2]" 1
968 1 40 THR MG 1 89 PHE HZ . . 5.500 4.843 4.219 5.581 0.081 5 0 "[ . 1 . 2]" 1
969 1 41 CYS H 1 42 TYR H . . 5.030 4.286 4.180 4.376 . 0 0 "[ . 1 . 2]" 1
970 1 41 CYS H 1 65 LEU HA . . 5.010 4.730 4.261 5.070 0.060 6 0 "[ . 1 . 2]" 1
971 1 41 CYS H 1 65 LEU QD . . 4.910 3.226 2.320 3.927 . 0 0 "[ . 1 . 2]" 1
972 1 41 CYS H 1 66 VAL H . . 3.480 2.980 2.627 3.561 0.081 8 0 "[ . 1 . 2]" 1
973 1 41 CYS H 1 66 VAL HA . . 5.080 4.815 4.390 5.087 0.007 13 0 "[ . 1 . 2]" 1
974 1 41 CYS H 1 66 VAL HB . . 4.300 3.499 2.988 4.414 0.114 17 0 "[ . 1 . 2]" 1
975 1 41 CYS H 1 66 VAL QG . . 5.330 3.847 1.961 4.492 . 0 0 "[ . 1 . 2]" 1
976 1 41 CYS H 1 67 THR HA . . 4.170 3.675 3.388 4.010 . 0 0 "[ . 1 . 2]" 1
977 1 41 CYS H 1 67 THR MG . . 5.500 5.016 4.333 5.555 0.055 11 0 "[ . 1 . 2]" 1
978 1 41 CYS H 1 68 PHE H . . 5.220 4.944 4.533 5.247 0.027 13 0 "[ . 1 . 2]" 1
979 1 41 CYS HA 1 42 TYR H . . 2.990 2.211 2.121 2.324 . 0 0 "[ . 1 . 2]" 1
980 1 41 CYS HA 1 65 LEU QD . . 5.500 3.937 3.431 4.238 . 0 0 "[ . 1 . 2]" 1
981 1 41 CYS HA 1 85 HIS H . . 5.440 4.680 3.753 5.050 . 0 0 "[ . 1 . 2]" 1
982 1 41 CYS HA 1 86 TYR H . . 5.390 4.707 4.527 4.841 . 0 0 "[ . 1 . 2]" 1
983 1 41 CYS HA 1 86 TYR HA . . 3.180 2.199 2.053 2.614 . 0 0 "[ . 1 . 2]" 1
984 1 41 CYS HA 1 86 TYR HB2 . . 4.920 4.071 3.827 4.622 . 0 0 "[ . 1 . 2]" 1
985 1 41 CYS HA 1 86 TYR HB3 . . 4.530 4.109 3.698 4.515 . 0 0 "[ . 1 . 2]" 1
986 1 41 CYS HA 1 87 ASN H . . 4.310 3.730 3.439 4.291 . 0 0 "[ . 1 . 2]" 1
987 1 41 CYS QB 1 42 TYR H . . 3.380 2.696 2.286 3.208 . 0 0 "[ . 1 . 2]" 1
988 1 41 CYS QB 1 43 ILE MD . . 5.000 3.361 2.788 4.124 . 0 0 "[ . 1 . 2]" 1
989 1 41 CYS QB 1 84 LYS QB . . 4.030 2.856 2.269 3.286 . 0 0 "[ . 1 . 2]" 1
990 1 41 CYS QB 1 84 LYS HD3 . . 4.390 3.841 2.585 4.098 . 0 0 "[ . 1 . 2]" 1
991 1 41 CYS QB 1 84 LYS QG . . 3.860 2.191 1.868 3.587 . 0 0 "[ . 1 . 2]" 1
992 1 41 CYS QB 1 86 TYR HA . . 4.060 2.514 2.198 3.138 . 0 0 "[ . 1 . 2]" 1
993 1 41 CYS QB 1 86 TYR HB2 . . 4.160 2.844 2.487 3.653 . 0 0 "[ . 1 . 2]" 1
994 1 41 CYS QB 1 86 TYR HB3 . . 4.060 2.737 2.400 3.676 . 0 0 "[ . 1 . 2]" 1
995 1 42 TYR H 1 42 TYR HB2 . . 3.900 3.039 2.899 3.218 . 0 0 "[ . 1 . 2]" 1
996 1 42 TYR H 1 42 TYR HB3 . . 3.530 2.556 2.321 2.728 . 0 0 "[ . 1 . 2]" 1
997 1 42 TYR H 1 42 TYR QD . . 4.400 4.279 4.185 4.366 . 0 0 "[ . 1 . 2]" 1
998 1 42 TYR H 1 43 ILE H . . 5.130 4.241 4.046 4.432 . 0 0 "[ . 1 . 2]" 1
999 1 42 TYR H 1 43 ILE MD . . 5.500 4.324 3.416 5.187 . 0 0 "[ . 1 . 2]" 1
1000 1 42 TYR H 1 65 LEU QD . . 5.100 3.801 3.311 4.117 . 0 0 "[ . 1 . 2]" 1
1001 1 42 TYR H 1 84 LYS HA . . 5.210 4.456 4.047 4.983 . 0 0 "[ . 1 . 2]" 1
1002 1 42 TYR H 1 84 LYS QB . . 4.400 3.269 2.479 3.659 . 0 0 "[ . 1 . 2]" 1
1003 1 42 TYR H 1 85 HIS H . . 3.710 2.988 2.211 3.462 . 0 0 "[ . 1 . 2]" 1
1004 1 42 TYR H 1 85 HIS HB3 . . 5.060 4.257 3.935 4.717 . 0 0 "[ . 1 . 2]" 1
1005 1 42 TYR H 1 86 TYR HA . . 4.260 3.667 3.462 4.234 . 0 0 "[ . 1 . 2]" 1
1006 1 42 TYR HA 1 42 TYR QD . . 2.910 2.384 2.145 2.642 . 0 0 "[ . 1 . 2]" 1
1007 1 42 TYR HA 1 43 ILE H . . 2.870 2.156 2.072 2.226 . 0 0 "[ . 1 . 2]" 1
1008 1 42 TYR HA 1 43 ILE HA . . 5.200 4.461 4.360 4.543 . 0 0 "[ . 1 . 2]" 1
1009 1 42 TYR HA 1 43 ILE HB . . 4.940 4.666 4.496 4.850 . 0 0 "[ . 1 . 2]" 1
1010 1 42 TYR HA 1 43 ILE MD . . 5.500 4.128 3.295 4.922 . 0 0 "[ . 1 . 2]" 1
1011 1 42 TYR HA 1 43 ILE HG12 . . 4.680 3.666 3.288 3.946 . 0 0 "[ . 1 . 2]" 1
1012 1 42 TYR HA 1 65 LEU HA . . 3.290 2.507 2.142 2.780 . 0 0 "[ . 1 . 2]" 1
1013 1 42 TYR HA 1 65 LEU HB2 . . 5.140 4.003 3.275 4.490 . 0 0 "[ . 1 . 2]" 1
1014 1 42 TYR HA 1 65 LEU QD . . 3.850 2.622 2.235 3.138 . 0 0 "[ . 1 . 2]" 1
1015 1 42 TYR HA 1 66 VAL H . . 4.280 3.660 3.315 3.969 . 0 0 "[ . 1 . 2]" 1
1016 1 42 TYR HA 1 66 VAL QG . . 5.500 4.380 3.589 5.024 . 0 0 "[ . 1 . 2]" 1
1017 1 42 TYR HB2 1 43 ILE H . . 4.670 4.370 4.221 4.516 . 0 0 "[ . 1 . 2]" 1
1018 1 42 TYR HB2 1 65 LEU HA . . 4.740 4.131 3.502 4.513 . 0 0 "[ . 1 . 2]" 1
1019 1 42 TYR HB2 1 65 LEU QD . . 3.380 2.310 2.073 2.579 . 0 0 "[ . 1 . 2]" 1
1020 1 42 TYR HB2 1 85 HIS HB2 . . 4.360 4.369 4.188 4.441 0.081 1 0 "[ . 1 . 2]" 1
1021 1 42 TYR HB3 1 43 ILE H . . 5.260 4.329 4.158 4.547 . 0 0 "[ . 1 . 2]" 1
1022 1 42 TYR HB3 1 44 LEU QD . . 5.500 3.381 2.572 4.353 . 0 0 "[ . 1 . 2]" 1
1023 1 42 TYR HB3 1 65 LEU QD . . 4.120 3.678 3.403 3.955 . 0 0 "[ . 1 . 2]" 1
1024 1 42 TYR HB3 1 85 HIS H . . 4.290 3.404 3.164 3.638 . 0 0 "[ . 1 . 2]" 1
1025 1 42 TYR HB3 1 85 HIS HB2 . . 3.850 2.792 2.536 2.986 . 0 0 "[ . 1 . 2]" 1
1026 1 42 TYR HB3 1 85 HIS HB3 . . 4.350 3.966 3.583 4.398 0.048 11 0 "[ . 1 . 2]" 1
1027 1 42 TYR QD 1 43 ILE H . . 3.500 3.342 2.722 3.591 0.091 12 0 "[ . 1 . 2]" 1
1028 1 42 TYR QD 1 44 LEU HA . . 5.170 4.606 3.645 5.235 0.065 11 0 "[ . 1 . 2]" 1
1029 1 42 TYR QD 1 44 LEU QD . . 3.000 2.246 1.841 2.962 . 0 0 "[ . 1 . 2]" 1
1030 1 42 TYR QD 1 44 LEU HG . . 3.920 3.012 2.236 4.022 0.102 8 0 "[ . 1 . 2]" 1
1031 1 42 TYR QD 1 65 LEU HA . . 3.340 2.841 2.115 3.380 0.040 16 0 "[ . 1 . 2]" 1
1032 1 42 TYR QD 1 65 LEU HB2 . . 4.070 2.634 2.147 3.228 . 0 0 "[ . 1 . 2]" 1
1033 1 42 TYR QD 1 65 LEU HB3 . . 4.750 4.203 3.798 4.824 0.074 4 0 "[ . 1 . 2]" 1
1034 1 42 TYR QD 1 65 LEU QD . . 3.200 2.496 1.974 3.237 0.037 7 0 "[ . 1 . 2]" 1
1035 1 42 TYR QD 1 84 LYS HA . . 5.160 5.170 4.711 5.258 0.098 8 0 "[ . 1 . 2]" 1
1036 1 42 TYR QD 1 85 HIS HB2 . . 4.430 3.489 2.908 3.775 . 0 0 "[ . 1 . 2]" 1
1037 1 42 TYR QD 1 85 HIS HB3 . . 5.080 4.933 4.252 5.174 0.094 15 0 "[ . 1 . 2]" 1
1038 1 43 ILE H 1 43 ILE HB . . 3.250 2.542 2.433 2.767 . 0 0 "[ . 1 . 2]" 1
1039 1 43 ILE H 1 43 ILE MD . . 4.280 3.170 2.789 3.716 . 0 0 "[ . 1 . 2]" 1
1040 1 43 ILE H 1 43 ILE HG12 . . 3.230 2.200 1.893 2.481 . 0 0 "[ . 1 . 2]" 1
1041 1 43 ILE H 1 43 ILE HG13 . . 3.830 3.637 3.467 3.836 0.006 7 0 "[ . 1 . 2]" 1
1042 1 43 ILE H 1 43 ILE MG . . 4.400 3.768 3.712 3.835 . 0 0 "[ . 1 . 2]" 1
1043 1 43 ILE H 1 62 LYS HA . . 5.330 4.891 4.536 5.376 0.046 13 0 "[ . 1 . 2]" 1
1044 1 43 ILE H 1 63 GLY H . . 4.920 4.156 3.571 4.683 . 0 0 "[ . 1 . 2]" 1
1045 1 43 ILE H 1 64 ASP H . . 4.780 4.164 3.206 4.640 . 0 0 "[ . 1 . 2]" 1
1046 1 43 ILE H 1 64 ASP HB2 . . 5.170 4.876 4.155 5.250 0.080 19 0 "[ . 1 . 2]" 1
1047 1 43 ILE H 1 65 LEU HA . . 4.320 3.443 3.098 3.852 . 0 0 "[ . 1 . 2]" 1
1048 1 43 ILE H 1 65 LEU QD . . 5.410 4.308 3.923 4.862 . 0 0 "[ . 1 . 2]" 1
1049 1 43 ILE H 1 66 VAL H . . 5.500 4.777 4.243 5.369 . 0 0 "[ . 1 . 2]" 1
1050 1 43 ILE H 1 66 VAL QG . . 5.270 4.286 3.850 4.852 . 0 0 "[ . 1 . 2]" 1
1051 1 43 ILE HA 1 43 ILE MD . . 3.320 2.398 2.147 2.604 . 0 0 "[ . 1 . 2]" 1
1052 1 43 ILE HA 1 43 ILE HG12 . . 3.960 3.392 3.155 3.585 . 0 0 "[ . 1 . 2]" 1
1053 1 43 ILE HA 1 43 ILE MG . . 3.390 2.323 2.217 2.407 . 0 0 "[ . 1 . 2]" 1
1054 1 43 ILE HA 1 44 LEU H . . 2.930 2.228 2.140 2.360 . 0 0 "[ . 1 . 2]" 1
1055 1 43 ILE HA 1 45 GLU H . . 4.720 3.849 3.644 4.088 . 0 0 "[ . 1 . 2]" 1
1056 1 43 ILE HA 1 63 GLY H . . 5.230 5.162 4.671 5.369 0.139 20 0 "[ . 1 . 2]" 1
1057 1 43 ILE HA 1 83 ARG H . . 5.500 5.022 4.531 5.574 0.074 5 0 "[ . 1 . 2]" 1
1058 1 43 ILE HA 1 84 LYS HA . . 3.430 2.852 2.592 3.252 . 0 0 "[ . 1 . 2]" 1
1059 1 43 ILE HA 1 84 LYS QB . . 3.890 2.286 2.008 2.620 . 0 0 "[ . 1 . 2]" 1
1060 1 43 ILE HA 1 85 HIS H . . 4.720 4.189 3.799 4.764 0.044 11 0 "[ . 1 . 2]" 1
1061 1 43 ILE HB 1 44 LEU H . . 4.820 4.183 3.821 4.504 . 0 0 "[ . 1 . 2]" 1
1062 1 43 ILE HB 1 62 LYS HA . . 3.480 2.786 2.305 3.265 . 0 0 "[ . 1 . 2]" 1
1063 1 43 ILE HB 1 63 GLY H . . 3.600 2.568 2.335 3.048 . 0 0 "[ . 1 . 2]" 1
1064 1 43 ILE HB 1 64 ASP H . . 3.260 2.970 2.355 3.328 0.068 15 0 "[ . 1 . 2]" 1
1065 1 43 ILE HB 1 64 ASP HB2 . . 4.240 3.851 3.301 4.296 0.056 19 0 "[ . 1 . 2]" 1
1066 1 43 ILE MD 1 43 ILE MG . . 3.190 2.131 1.981 2.200 . 0 0 "[ . 1 . 2]" 1
1067 1 43 ILE MD 1 44 LEU H . . 4.620 4.194 3.647 4.476 . 0 0 "[ . 1 . 2]" 1
1068 1 43 ILE MD 1 45 GLU H . . 5.390 5.103 4.494 5.451 0.061 2 0 "[ . 1 . 2]" 1
1069 1 43 ILE MD 1 60 ILE MD . . 4.070 2.646 1.997 4.172 0.102 18 0 "[ . 1 . 2]" 1
1070 1 43 ILE MD 1 62 LYS HA . . 5.350 5.070 4.730 5.345 . 0 0 "[ . 1 . 2]" 1
1071 1 43 ILE MD 1 64 ASP HB2 . . 5.230 4.681 3.987 5.190 . 0 0 "[ . 1 . 2]" 1
1072 1 43 ILE MD 1 82 VAL QG . . 3.680 2.506 2.037 3.287 . 0 0 "[ . 1 . 2]" 1
1073 1 43 ILE MD 1 84 LYS HA . . 4.360 3.968 3.611 4.456 0.096 12 0 "[ . 1 . 2]" 1
1074 1 43 ILE MD 1 84 LYS QB . . 4.020 2.126 1.895 2.580 . 0 0 "[ . 1 . 2]" 1
1075 1 43 ILE MD 1 85 HIS H . . 5.370 4.791 4.162 5.340 . 0 0 "[ . 1 . 2]" 1
1076 1 43 ILE HG12 1 60 ILE MD . . 5.500 3.965 2.878 5.598 0.098 12 0 "[ . 1 . 2]" 1
1077 1 43 ILE HG12 1 64 ASP H . . 4.790 4.072 3.261 4.646 . 0 0 "[ . 1 . 2]" 1
1078 1 43 ILE HG12 1 64 ASP HB2 . . 4.420 3.719 2.572 4.400 . 0 0 "[ . 1 . 2]" 1
1079 1 43 ILE HG12 1 66 VAL QG . . 4.960 3.035 2.576 3.469 . 0 0 "[ . 1 . 2]" 1
1080 1 43 ILE HG13 1 43 ILE MG . . 3.620 2.357 2.282 2.446 . 0 0 "[ . 1 . 2]" 1
1081 1 43 ILE HG13 1 60 ILE MD . . 5.230 3.260 2.323 5.251 0.021 12 0 "[ . 1 . 2]" 1
1082 1 43 ILE HG13 1 60 ILE MG . . 3.500 3.378 2.640 3.611 0.111 3 0 "[ . 1 . 2]" 1
1083 1 43 ILE HG13 1 61 GLU H . . 5.250 4.379 3.354 4.991 . 0 0 "[ . 1 . 2]" 1
1084 1 43 ILE HG13 1 63 GLY H . . 5.230 4.512 3.544 5.293 0.063 4 0 "[ . 1 . 2]" 1
1085 1 43 ILE HG13 1 64 ASP H . . 4.570 4.048 3.214 4.420 . 0 0 "[ . 1 . 2]" 1
1086 1 43 ILE HG13 1 64 ASP HB2 . . 4.570 3.341 2.787 3.802 . 0 0 "[ . 1 . 2]" 1
1087 1 43 ILE HG13 1 66 VAL QG . . 3.970 3.565 3.119 4.014 0.044 19 0 "[ . 1 . 2]" 1
1088 1 43 ILE MG 1 44 LEU H . . 3.870 2.836 2.330 3.399 . 0 0 "[ . 1 . 2]" 1
1089 1 43 ILE MG 1 44 LEU HA . . 5.290 4.090 3.620 4.459 . 0 0 "[ . 1 . 2]" 1
1090 1 43 ILE MG 1 44 LEU QB . . 5.500 4.487 4.155 4.666 . 0 0 "[ . 1 . 2]" 1
1091 1 43 ILE MG 1 45 GLU H . . 3.450 2.858 2.570 3.227 . 0 0 "[ . 1 . 2]" 1
1092 1 43 ILE MG 1 45 GLU HA . . 4.490 3.836 3.491 4.057 . 0 0 "[ . 1 . 2]" 1
1093 1 43 ILE MG 1 46 GLY H . . 5.250 4.525 4.105 4.783 . 0 0 "[ . 1 . 2]" 1
1094 1 43 ILE MG 1 46 GLY HA2 . . 5.500 5.185 4.896 5.449 . 0 0 "[ . 1 . 2]" 1
1095 1 43 ILE MG 1 46 GLY HA3 . . 4.930 4.269 3.880 4.626 . 0 0 "[ . 1 . 2]" 1
1096 1 43 ILE MG 1 47 LYS H . . 5.500 5.011 4.694 5.304 . 0 0 "[ . 1 . 2]" 1
1097 1 43 ILE MG 1 47 LYS HA . . 5.500 4.038 3.522 4.577 . 0 0 "[ . 1 . 2]" 1
1098 1 43 ILE MG 1 60 ILE MG . . 4.770 4.644 4.060 4.894 0.124 7 0 "[ . 1 . 2]" 1
1099 1 43 ILE MG 1 61 GLU H . . 5.500 4.311 3.682 5.045 . 0 0 "[ . 1 . 2]" 1
1100 1 43 ILE MG 1 61 GLU HA . . 4.100 3.294 2.571 4.166 0.066 13 0 "[ . 1 . 2]" 1
1101 1 43 ILE MG 1 62 LYS H . . 4.170 3.514 2.868 3.921 . 0 0 "[ . 1 . 2]" 1
1102 1 43 ILE MG 1 62 LYS HA . . 3.110 2.188 1.989 2.362 . 0 0 "[ . 1 . 2]" 1
1103 1 43 ILE MG 1 62 LYS QB . . 4.680 3.119 2.737 3.662 . 0 0 "[ . 1 . 2]" 1
1104 1 43 ILE MG 1 62 LYS HG3 . . 5.470 5.228 3.904 5.546 0.076 11 0 "[ . 1 . 2]" 1
1105 1 43 ILE MG 1 63 GLY H . . 4.010 3.456 3.205 3.677 . 0 0 "[ . 1 . 2]" 1
1106 1 43 ILE MG 1 64 ASP H . . 4.710 4.132 3.737 4.339 . 0 0 "[ . 1 . 2]" 1
1107 1 43 ILE MG 1 82 VAL HA . . 5.010 4.337 3.789 4.569 . 0 0 "[ . 1 . 2]" 1
1108 1 43 ILE MG 1 82 VAL QG . . 3.680 2.152 1.935 2.495 . 0 0 "[ . 1 . 2]" 1
1109 1 43 ILE MG 1 83 ARG H . . 4.410 4.022 3.708 4.493 0.083 5 0 "[ . 1 . 2]" 1
1110 1 43 ILE MG 1 84 LYS H . . 5.500 5.302 4.479 5.598 0.098 1 0 "[ . 1 . 2]" 1
1111 1 43 ILE MG 1 84 LYS HA . . 5.050 4.317 3.952 4.615 . 0 0 "[ . 1 . 2]" 1
1112 1 43 ILE MG 1 84 LYS QB . . 4.070 3.242 2.574 3.650 . 0 0 "[ . 1 . 2]" 1
1113 1 44 LEU H 1 44 LEU QB . . 3.170 2.468 2.210 2.729 . 0 0 "[ . 1 . 2]" 1
1114 1 44 LEU H 1 44 LEU QD . . 4.590 2.762 2.152 3.527 . 0 0 "[ . 1 . 2]" 1
1115 1 44 LEU H 1 44 LEU HG . . 3.650 3.225 2.521 3.746 0.096 8 0 "[ . 1 . 2]" 1
1116 1 44 LEU H 1 45 GLU H . . 3.130 2.148 1.858 2.471 . 0 0 "[ . 1 . 2]" 1
1117 1 44 LEU H 1 62 LYS HA . . 5.010 4.259 3.836 5.084 0.074 3 0 "[ . 1 . 2]" 1
1118 1 44 LEU H 1 83 ARG H . . 5.160 4.113 3.776 4.585 . 0 0 "[ . 1 . 2]" 1
1119 1 44 LEU H 1 84 LYS H . . 5.500 4.922 4.592 5.264 . 0 0 "[ . 1 . 2]" 1
1120 1 44 LEU H 1 84 LYS HA . . 3.310 2.898 2.590 3.242 . 0 0 "[ . 1 . 2]" 1
1121 1 44 LEU H 1 84 LYS QB . . 4.800 3.578 3.283 3.942 . 0 0 "[ . 1 . 2]" 1
1122 1 44 LEU H 1 85 HIS H . . 5.360 4.546 3.929 5.260 . 0 0 "[ . 1 . 2]" 1
1123 1 44 LEU HA 1 44 LEU QD . . 3.070 2.615 2.045 3.005 . 0 0 "[ . 1 . 2]" 1
1124 1 44 LEU HA 1 45 GLU HA . . 4.820 4.577 4.436 4.773 . 0 0 "[ . 1 . 2]" 1
1125 1 44 LEU HA 1 62 LYS HA . . 4.700 3.779 3.196 4.475 . 0 0 "[ . 1 . 2]" 1
1126 1 44 LEU HA 1 62 LYS HG3 . . 5.500 5.205 3.063 5.587 0.087 11 0 "[ . 1 . 2]" 1
1127 1 44 LEU HA 1 63 GLY H . . 4.880 4.664 3.636 4.964 0.084 9 0 "[ . 1 . 2]" 1
1128 1 44 LEU QB 1 45 GLU H . . 3.220 2.825 2.421 3.058 . 0 0 "[ . 1 . 2]" 1
1129 1 44 LEU QB 1 45 GLU QB . . 3.920 3.679 3.359 3.883 . 0 0 "[ . 1 . 2]" 1
1130 1 44 LEU QB 1 45 GLU QG . . 4.320 3.036 2.463 3.769 . 0 0 "[ . 1 . 2]" 1
1131 1 44 LEU QB 1 84 LYS HA . . 4.850 3.812 3.334 4.324 . 0 0 "[ . 1 . 2]" 1
1132 1 44 LEU QD 1 45 GLU H . . 5.300 3.970 3.688 4.201 . 0 0 "[ . 1 . 2]" 1
1133 1 44 LEU QD 1 45 GLU QG . . 5.390 4.216 3.652 4.726 . 0 0 "[ . 1 . 2]" 1
1134 1 44 LEU QD 1 83 ARG H . . 5.500 5.026 4.496 5.356 . 0 0 "[ . 1 . 2]" 1
1135 1 44 LEU QD 1 83 ARG HB3 . . 4.210 3.713 2.866 4.222 0.012 8 0 "[ . 1 . 2]" 1
1136 1 44 LEU QD 1 84 LYS H . . 4.580 4.377 4.052 4.609 0.029 6 0 "[ . 1 . 2]" 1
1137 1 44 LEU QD 1 84 LYS HA . . 4.510 2.417 2.075 3.308 . 0 0 "[ . 1 . 2]" 1
1138 1 44 LEU QD 1 85 HIS H . . 5.030 2.640 1.851 3.552 . 0 0 "[ . 1 . 2]" 1
1139 1 44 LEU QD 1 85 HIS HB2 . . 4.400 2.747 2.108 4.196 . 0 0 "[ . 1 . 2]" 1
1140 1 44 LEU QD 1 85 HIS HE1 . . 4.200 3.337 2.910 4.019 . 0 0 "[ . 1 . 2]" 1
1141 1 44 LEU HG 1 84 LYS HA . . 4.400 4.068 2.404 4.482 0.082 3 0 "[ . 1 . 2]" 1
1142 1 44 LEU HG 1 85 HIS H . . 4.920 4.293 3.296 4.999 0.079 8 0 "[ . 1 . 2]" 1
1143 1 45 GLU H 1 45 GLU QG . . 4.130 2.556 2.284 2.832 . 0 0 "[ . 1 . 2]" 1
1144 1 45 GLU H 1 46 GLY H . . 5.120 4.274 4.106 4.380 . 0 0 "[ . 1 . 2]" 1
1145 1 45 GLU H 1 62 LYS HA . . 5.170 4.101 3.715 4.645 . 0 0 "[ . 1 . 2]" 1
1146 1 45 GLU H 1 62 LYS QB . . 5.190 3.687 3.217 4.752 . 0 0 "[ . 1 . 2]" 1
1147 1 45 GLU H 1 82 VAL HA . . 4.670 4.408 4.009 4.733 0.063 7 0 "[ . 1 . 2]" 1
1148 1 45 GLU H 1 82 VAL QG . . 4.980 3.548 3.177 3.879 . 0 0 "[ . 1 . 2]" 1
1149 1 45 GLU H 1 83 ARG H . . 3.410 3.101 2.910 3.485 0.075 12 0 "[ . 1 . 2]" 1
1150 1 45 GLU H 1 83 ARG HB2 . . 4.860 4.462 3.569 4.936 0.076 20 0 "[ . 1 . 2]" 1
1151 1 45 GLU H 1 83 ARG HB3 . . 4.640 4.123 3.526 4.690 0.050 8 0 "[ . 1 . 2]" 1
1152 1 45 GLU H 1 84 LYS HA . . 4.770 4.527 4.240 4.841 0.071 11 0 "[ . 1 . 2]" 1
1153 1 45 GLU HA 1 45 GLU QG . . 3.750 3.391 3.340 3.478 . 0 0 "[ . 1 . 2]" 1
1154 1 45 GLU HA 1 46 GLY H . . 2.770 2.391 2.201 2.576 . 0 0 "[ . 1 . 2]" 1
1155 1 45 GLU HA 1 62 LYS H . . 4.880 4.545 4.059 4.937 0.057 1 0 "[ . 1 . 2]" 1
1156 1 45 GLU HA 1 62 LYS HA . . 4.080 3.945 3.286 4.162 0.082 2 0 "[ . 1 . 2]" 1
1157 1 45 GLU HA 1 62 LYS QB . . 3.010 2.154 1.901 2.894 . 0 0 "[ . 1 . 2]" 1
1158 1 45 GLU HA 1 62 LYS HD2 . . 3.890 3.061 2.178 4.135 0.245 6 0 "[ . 1 . 2]" 1
1159 1 45 GLU HA 1 62 LYS HD3 . . 4.060 3.323 2.283 4.043 . 0 0 "[ . 1 . 2]" 1
1160 1 45 GLU HA 1 62 LYS QE . . 5.430 4.482 3.070 4.983 . 0 0 "[ . 1 . 2]" 1
1161 1 45 GLU QB 1 46 GLY H . . 3.780 2.585 2.351 2.821 . 0 0 "[ . 1 . 2]" 1
1162 1 45 GLU QB 1 46 GLY HA3 . . 5.180 4.404 4.222 4.576 . 0 0 "[ . 1 . 2]" 1
1163 1 45 GLU QB 1 62 LYS HD2 . . 4.190 3.872 3.005 4.810 0.620 6 2 "[ .+ 1 . -]" 1
1164 1 45 GLU QB 1 82 VAL HA . . 5.380 4.853 4.522 5.137 . 0 0 "[ . 1 . 2]" 1
1165 1 45 GLU QB 1 83 ARG H . . 5.100 4.481 4.076 4.857 . 0 0 "[ . 1 . 2]" 1
1166 1 45 GLU QG 1 46 GLY H . . 3.940 3.731 3.494 4.015 0.075 1 0 "[ . 1 . 2]" 1
1167 1 45 GLU QG 1 46 GLY HA2 . . 5.020 4.537 4.089 4.963 . 0 0 "[ . 1 . 2]" 1
1168 1 45 GLU QG 1 46 GLY HA3 . . 5.280 4.015 3.609 4.757 . 0 0 "[ . 1 . 2]" 1
1169 1 45 GLU QG 1 82 VAL HA . . 4.700 3.560 2.942 4.310 . 0 0 "[ . 1 . 2]" 1
1170 1 45 GLU QG 1 83 ARG H . . 4.340 2.708 2.181 3.456 . 0 0 "[ . 1 . 2]" 1
1171 1 45 GLU QG 1 83 ARG HB2 . . 4.820 2.439 2.123 3.317 . 0 0 "[ . 1 . 2]" 1
1172 1 45 GLU QG 1 83 ARG HB3 . . 3.620 2.700 2.144 3.583 . 0 0 "[ . 1 . 2]" 1
1173 1 45 GLU QG 1 83 ARG HD2 . . 5.140 3.856 3.309 4.856 . 0 0 "[ . 1 . 2]" 1
1174 1 45 GLU QG 1 83 ARG HD3 . . 4.350 4.086 3.351 5.073 0.723 5 2 "[ + 1- . 2]" 1
1175 1 46 GLY H 1 47 LYS H . . 4.660 4.559 4.484 4.653 . 0 0 "[ . 1 . 2]" 1
1176 1 46 GLY H 1 62 LYS H . . 5.150 4.996 4.619 5.212 0.062 11 0 "[ . 1 . 2]" 1
1177 1 46 GLY H 1 62 LYS QB . . 3.670 3.433 2.808 3.750 0.080 18 0 "[ . 1 . 2]" 1
1178 1 46 GLY H 1 62 LYS HD2 . . 5.100 4.060 3.034 5.116 0.016 8 0 "[ . 1 . 2]" 1
1179 1 46 GLY H 1 62 LYS HD3 . . 5.060 3.675 2.380 5.140 0.080 1 0 "[ . 1 . 2]" 1
1180 1 46 GLY H 1 62 LYS QE . . 5.500 4.859 3.293 5.314 . 0 0 "[ . 1 . 2]" 1
1181 1 46 GLY H 1 82 VAL HA . . 5.000 4.409 4.202 4.796 . 0 0 "[ . 1 . 2]" 1
1182 1 46 GLY HA2 1 47 LYS H . . 3.120 2.667 2.553 2.836 . 0 0 "[ . 1 . 2]" 1
1183 1 46 GLY HA2 1 47 LYS HA . . 4.940 4.556 4.393 4.681 . 0 0 "[ . 1 . 2]" 1
1184 1 46 GLY HA2 1 48 VAL QG . . 5.500 5.458 5.344 5.537 0.037 20 0 "[ . 1 . 2]" 1
1185 1 46 GLY HA2 1 80 GLU H . . 5.370 4.952 4.544 5.439 0.069 20 0 "[ . 1 . 2]" 1
1186 1 46 GLY HA2 1 80 GLU HB2 . . 3.600 2.898 2.046 3.480 . 0 0 "[ . 1 . 2]" 1
1187 1 46 GLY HA2 1 80 GLU HB3 . . 3.510 2.785 2.324 3.440 . 0 0 "[ . 1 . 2]" 1
1188 1 46 GLY HA2 1 80 GLU HG2 . . 5.500 5.097 4.221 5.568 0.068 1 0 "[ . 1 . 2]" 1
1189 1 46 GLY HA2 1 82 VAL HA . . 3.730 3.605 3.230 3.787 0.057 5 0 "[ . 1 . 2]" 1
1190 1 46 GLY HA2 1 82 VAL HB . . 4.770 4.457 3.627 4.834 0.064 14 0 "[ . 1 . 2]" 1
1191 1 46 GLY HA2 1 82 VAL QG . . 4.460 4.107 3.692 4.372 . 0 0 "[ . 1 . 2]" 1
1192 1 46 GLY HA3 1 47 LYS H . . 3.130 2.519 2.426 2.586 . 0 0 "[ . 1 . 2]" 1
1193 1 46 GLY HA3 1 80 GLU H . . 5.500 4.974 4.539 5.468 . 0 0 "[ . 1 . 2]" 1
1194 1 46 GLY HA3 1 80 GLU HB3 . . 4.050 3.923 3.367 4.743 0.693 10 1 "[ . + . 2]" 1
1195 1 46 GLY HA3 1 82 VAL H . . 5.160 4.020 3.449 4.937 . 0 0 "[ . 1 . 2]" 1
1196 1 46 GLY HA3 1 82 VAL HA . . 3.060 2.051 1.907 2.541 . 0 0 "[ . 1 . 2]" 1
1197 1 46 GLY HA3 1 82 VAL HB . . 3.760 2.998 2.224 3.393 . 0 0 "[ . 1 . 2]" 1
1198 1 46 GLY HA3 1 82 VAL QG . . 3.770 2.758 2.346 3.136 . 0 0 "[ . 1 . 2]" 1
1199 1 46 GLY HA3 1 83 ARG H . . 4.260 3.736 3.349 4.160 . 0 0 "[ . 1 . 2]" 1
1200 1 47 LYS H 1 47 LYS HB2 . . 3.660 2.896 2.548 3.205 . 0 0 "[ . 1 . 2]" 1
1201 1 47 LYS H 1 47 LYS HB3 . . 3.840 3.301 2.864 3.517 . 0 0 "[ . 1 . 2]" 1
1202 1 47 LYS H 1 48 VAL H . . 4.740 4.296 4.150 4.463 . 0 0 "[ . 1 . 2]" 1
1203 1 47 LYS H 1 48 VAL HA . . 5.230 4.810 4.607 5.105 . 0 0 "[ . 1 . 2]" 1
1204 1 47 LYS H 1 48 VAL QG . . 3.800 3.645 3.394 3.997 0.197 20 0 "[ . 1 . 2]" 1
1205 1 47 LYS H 1 78 VAL HA . . 5.420 5.066 4.808 5.463 0.043 16 0 "[ . 1 . 2]" 1
1206 1 47 LYS H 1 78 VAL MG1 . . 4.570 3.925 3.493 4.626 0.056 12 0 "[ . 1 . 2]" 1
1207 1 47 LYS H 1 79 LEU H . . 5.370 4.334 3.803 5.412 0.042 20 0 "[ . 1 . 2]" 1
1208 1 47 LYS H 1 80 GLU H . . 3.230 2.867 2.636 3.308 0.078 12 0 "[ . 1 . 2]" 1
1209 1 47 LYS H 1 80 GLU HB2 . . 3.980 2.289 1.895 2.815 . 0 0 "[ . 1 . 2]" 1
1210 1 47 LYS H 1 80 GLU HB3 . . 3.230 3.345 2.377 3.991 0.761 10 2 "[ . - + . 2]" 1
1211 1 47 LYS H 1 82 VAL HA . . 4.390 3.972 3.641 4.281 . 0 0 "[ . 1 . 2]" 1
1212 1 47 LYS H 1 82 VAL HB . . 4.320 3.125 2.460 3.837 . 0 0 "[ . 1 . 2]" 1
1213 1 47 LYS H 1 82 VAL QG . . 4.010 3.530 3.157 3.922 . 0 0 "[ . 1 . 2]" 1
1214 1 47 LYS HA 1 47 LYS QD . . 4.170 2.452 1.962 3.510 . 0 0 "[ . 1 . 2]" 1
1215 1 47 LYS HA 1 47 LYS QE . . 4.650 3.758 3.228 4.608 . 0 0 "[ . 1 . 2]" 1
1216 1 47 LYS HA 1 47 LYS QG . . 3.520 2.416 2.126 2.623 . 0 0 "[ . 1 . 2]" 1
1217 1 47 LYS HA 1 48 VAL H . . 2.730 2.228 2.078 2.414 . 0 0 "[ . 1 . 2]" 1
1218 1 47 LYS HA 1 48 VAL HB . . 5.160 4.549 4.182 4.868 . 0 0 "[ . 1 . 2]" 1
1219 1 47 LYS HA 1 48 VAL QG . . 4.460 3.348 2.523 3.666 . 0 0 "[ . 1 . 2]" 1
1220 1 47 LYS HA 1 61 GLU QB . . 4.990 4.580 3.272 5.085 0.095 14 0 "[ . 1 . 2]" 1
1221 1 47 LYS HA 1 62 LYS H . . 5.290 4.924 4.101 5.292 0.002 5 0 "[ . 1 . 2]" 1
1222 1 47 LYS HA 1 80 GLU H . . 5.500 4.889 4.562 5.152 . 0 0 "[ . 1 . 2]" 1
1223 1 47 LYS HA 1 82 VAL QG . . 5.120 3.991 3.596 4.692 . 0 0 "[ . 1 . 2]" 1
1224 1 47 LYS HB2 1 47 LYS QE . . 4.890 3.874 3.326 4.591 . 0 0 "[ . 1 . 2]" 1
1225 1 47 LYS HB2 1 48 VAL H . . 4.810 4.267 3.968 4.393 . 0 0 "[ . 1 . 2]" 1
1226 1 47 LYS HB2 1 79 LEU H . . 5.500 5.025 4.641 5.522 0.022 16 0 "[ . 1 . 2]" 1
1227 1 47 LYS HB2 1 80 GLU H . . 4.170 4.062 3.727 4.243 0.073 3 0 "[ . 1 . 2]" 1
1228 1 47 LYS HB2 1 80 GLU HG2 . . 4.420 4.191 3.412 4.504 0.084 19 0 "[ . 1 . 2]" 1
1229 1 47 LYS HB2 1 80 GLU HG3 . . 4.010 3.374 2.461 4.078 0.068 15 0 "[ . 1 . 2]" 1
1230 1 47 LYS HB3 1 47 LYS QE . . 4.550 2.589 1.851 3.964 . 0 0 "[ . 1 . 2]" 1
1231 1 47 LYS HB3 1 48 VAL H . . 4.500 3.384 2.703 3.866 . 0 0 "[ . 1 . 2]" 1
1232 1 47 LYS HB3 1 48 VAL HA . . 4.140 4.156 3.831 4.229 0.089 6 0 "[ . 1 . 2]" 1
1233 1 47 LYS HB3 1 78 VAL HA . . 5.500 5.476 5.266 5.594 0.094 12 0 "[ . 1 . 2]" 1
1234 1 47 LYS HB3 1 79 LEU HG . . 5.180 4.379 3.468 4.697 . 0 0 "[ . 1 . 2]" 1
1235 1 47 LYS HB3 1 80 GLU H . . 4.510 3.461 2.898 3.805 . 0 0 "[ . 1 . 2]" 1
1236 1 47 LYS QD 1 48 VAL H . . 3.460 1.998 1.720 2.884 . 0 0 "[ . 1 . 2]" 1
1237 1 47 LYS QD 1 61 GLU HA . . 4.910 3.462 2.657 4.997 0.087 13 0 "[ . 1 . 2]" 1
1238 1 47 LYS QE 1 48 VAL H . . 5.300 2.826 1.934 3.868 . 0 0 "[ . 1 . 2]" 1
1239 1 47 LYS QE 1 59 VAL HA . . 3.060 3.164 3.112 3.418 0.358 20 0 "[ . 1 . 2]" 1
1240 1 47 LYS QE 1 59 VAL HB . . 4.990 4.160 2.723 4.888 . 0 0 "[ . 1 . 2]" 1
1241 1 47 LYS QE 1 59 VAL QG . . 3.400 1.953 1.819 2.125 . 0 0 "[ . 1 . 2]" 1
1242 1 47 LYS QE 1 79 LEU HG . . 3.710 3.699 3.383 3.824 0.114 6 0 "[ . 1 . 2]" 1
1243 1 47 LYS QG 1 48 VAL H . . 3.970 3.510 2.638 3.707 . 0 0 "[ . 1 . 2]" 1
1244 1 47 LYS QG 1 59 VAL QG . . 4.400 3.749 3.409 4.094 . 0 0 "[ . 1 . 2]" 1
1245 1 47 LYS QG 1 61 GLU HA . . 4.420 3.287 2.422 4.374 . 0 0 "[ . 1 . 2]" 1
1246 1 47 LYS QG 1 61 GLU QB . . 4.720 3.613 2.805 4.462 . 0 0 "[ . 1 . 2]" 1
1247 1 47 LYS QG 1 79 LEU HB2 . . 4.490 3.978 3.233 4.306 . 0 0 "[ . 1 . 2]" 1
1248 1 48 VAL H 1 48 VAL HB . . 3.520 2.966 2.586 3.823 0.303 20 0 "[ . 1 . 2]" 1
1249 1 48 VAL H 1 48 VAL QG . . 3.770 2.758 2.079 3.027 . 0 0 "[ . 1 . 2]" 1
1250 1 48 VAL H 1 49 GLU H . . 5.120 4.340 4.182 4.433 . 0 0 "[ . 1 . 2]" 1
1251 1 48 VAL H 1 59 VAL QG . . 4.450 3.899 3.152 4.376 . 0 0 "[ . 1 . 2]" 1
1252 1 48 VAL H 1 60 ILE H . . 3.700 3.218 2.937 3.773 0.073 19 0 "[ . 1 . 2]" 1
1253 1 48 VAL H 1 60 ILE MD . . 5.240 4.659 4.102 5.305 0.065 19 0 "[ . 1 . 2]" 1
1254 1 48 VAL H 1 60 ILE HG12 . . 4.630 3.981 3.432 4.703 0.073 8 0 "[ . 1 . 2]" 1
1255 1 48 VAL H 1 60 ILE HG13 . . 4.940 3.602 2.633 5.020 0.080 20 0 "[ . 1 . 2]" 1
1256 1 48 VAL H 1 61 GLU HA . . 4.480 4.288 3.673 4.554 0.074 9 0 "[ . 1 . 2]" 1
1257 1 48 VAL H 1 78 VAL HA . . 5.500 5.266 5.113 5.569 0.069 16 0 "[ . 1 . 2]" 1
1258 1 48 VAL HA 1 49 GLU H . . 2.780 2.263 2.042 2.380 . 0 0 "[ . 1 . 2]" 1
1259 1 48 VAL HA 1 49 GLU HB2 . . 5.090 4.363 3.823 4.547 . 0 0 "[ . 1 . 2]" 1
1260 1 48 VAL HA 1 77 LYS HB3 . . 5.500 4.615 4.282 4.916 . 0 0 "[ . 1 . 2]" 1
1261 1 48 VAL HA 1 78 VAL HA . . 3.190 2.692 2.497 3.177 . 0 0 "[ . 1 . 2]" 1
1262 1 48 VAL HA 1 78 VAL MG1 . . 5.240 4.018 3.693 4.552 . 0 0 "[ . 1 . 2]" 1
1263 1 48 VAL HA 1 78 VAL MG2 . . 4.850 4.578 4.357 4.927 0.077 10 0 "[ . 1 . 2]" 1
1264 1 48 VAL HA 1 79 LEU H . . 3.470 2.460 2.148 2.809 . 0 0 "[ . 1 . 2]" 1
1265 1 48 VAL HA 1 79 LEU MD2 . . 5.210 4.842 3.880 5.274 0.064 16 0 "[ . 1 . 2]" 1
1266 1 48 VAL HA 1 79 LEU HG . . 4.580 3.457 2.459 4.203 . 0 0 "[ . 1 . 2]" 1
1267 1 48 VAL HA 1 80 GLU H . . 4.760 4.132 3.895 4.491 . 0 0 "[ . 1 . 2]" 1
1268 1 48 VAL HB 1 49 GLU H . . 4.360 3.830 3.453 4.078 . 0 0 "[ . 1 . 2]" 1
1269 1 48 VAL HB 1 49 GLU HA . . 5.130 4.792 4.389 5.516 0.386 20 0 "[ . 1 . 2]" 1
1270 1 48 VAL HB 1 50 VAL MG2 . . 4.260 3.657 2.975 4.372 0.112 20 0 "[ . 1 . 2]" 1
1271 1 48 VAL HB 1 60 ILE H . . 4.500 4.118 3.697 4.887 0.387 20 0 "[ . 1 . 2]" 1
1272 1 48 VAL HB 1 60 ILE HG12 . . 3.620 3.095 2.257 3.983 0.363 20 0 "[ . 1 . 2]" 1
1273 1 48 VAL HB 1 60 ILE HG13 . . 3.400 2.659 2.175 3.897 0.497 20 0 "[ . 1 . 2]" 1
1274 1 48 VAL HB 1 60 ILE MG . . 5.260 4.936 4.351 5.876 0.616 20 1 "[ . 1 . +]" 1
1275 1 48 VAL HB 1 78 VAL HA . . 5.350 4.502 2.885 5.245 . 0 0 "[ . 1 . 2]" 1
1276 1 48 VAL QG 1 49 GLU H . . 3.420 2.308 2.156 2.534 . 0 0 "[ . 1 . 2]" 1
1277 1 48 VAL QG 1 49 GLU HA . . 4.900 3.373 2.781 3.829 . 0 0 "[ . 1 . 2]" 1
1278 1 48 VAL QG 1 50 VAL H . . 4.780 3.311 2.641 4.340 . 0 0 "[ . 1 . 2]" 1
1279 1 48 VAL QG 1 50 VAL MG2 . . 3.190 2.122 1.938 2.629 . 0 0 "[ . 1 . 2]" 1
1280 1 48 VAL QG 1 76 TRP HA . . 4.040 3.317 3.011 3.719 . 0 0 "[ . 1 . 2]" 1
1281 1 48 VAL QG 1 76 TRP HB2 . . 4.890 4.779 4.070 4.909 0.019 19 0 "[ . 1 . 2]" 1
1282 1 48 VAL QG 1 76 TRP HB3 . . 4.170 3.715 2.766 3.965 . 0 0 "[ . 1 . 2]" 1
1283 1 48 VAL QG 1 76 TRP HE1 . . 5.500 4.514 4.235 4.938 . 0 0 "[ . 1 . 2]" 1
1284 1 48 VAL QG 1 76 TRP HE3 . . 3.630 2.767 2.362 3.153 . 0 0 "[ . 1 . 2]" 1
1285 1 48 VAL QG 1 76 TRP HH2 . . 4.370 3.039 2.596 3.489 . 0 0 "[ . 1 . 2]" 1
1286 1 48 VAL QG 1 76 TRP HZ2 . . 4.570 3.790 3.362 4.310 . 0 0 "[ . 1 . 2]" 1
1287 1 48 VAL QG 1 76 TRP HZ3 . . 3.810 2.441 2.234 2.834 . 0 0 "[ . 1 . 2]" 1
1288 1 48 VAL QG 1 77 LYS H . . 3.660 3.044 2.576 3.622 . 0 0 "[ . 1 . 2]" 1
1289 1 48 VAL QG 1 78 VAL H . . 5.460 4.253 3.872 5.103 . 0 0 "[ . 1 . 2]" 1
1290 1 48 VAL QG 1 78 VAL HA . . 3.830 2.646 2.210 3.621 . 0 0 "[ . 1 . 2]" 1
1291 1 48 VAL QG 1 78 VAL MG1 . . 5.210 2.809 2.175 3.923 . 0 0 "[ . 1 . 2]" 1
1292 1 48 VAL QG 1 78 VAL MG2 . . 4.120 3.062 2.618 3.982 . 0 0 "[ . 1 . 2]" 1
1293 1 48 VAL QG 1 79 LEU H . . 4.590 3.530 3.151 4.099 . 0 0 "[ . 1 . 2]" 1
1294 1 48 VAL QG 1 82 VAL QG . . 3.150 2.082 1.801 2.675 . 0 0 "[ . 1 . 2]" 1
1295 1 49 GLU H 1 49 GLU HB2 . . 3.640 2.583 2.438 2.817 . 0 0 "[ . 1 . 2]" 1
1296 1 49 GLU H 1 49 GLU HB3 . . 3.560 3.513 3.178 3.635 0.075 10 0 "[ . 1 . 2]" 1
1297 1 49 GLU H 1 49 GLU HG2 . . 4.440 4.540 4.135 4.726 0.286 18 0 "[ . 1 . 2]" 1
1298 1 49 GLU H 1 49 GLU HG3 . . 4.830 3.914 3.339 4.457 . 0 0 "[ . 1 . 2]" 1
1299 1 49 GLU H 1 50 VAL H . . 5.500 4.052 3.766 4.317 . 0 0 "[ . 1 . 2]" 1
1300 1 49 GLU H 1 50 VAL MG2 . . 5.500 4.110 3.733 4.663 . 0 0 "[ . 1 . 2]" 1
1301 1 49 GLU H 1 76 TRP HA . . 4.980 4.716 4.308 4.955 . 0 0 "[ . 1 . 2]" 1
1302 1 49 GLU H 1 77 LYS H . . 3.630 3.105 2.902 3.676 0.046 16 0 "[ . 1 . 2]" 1
1303 1 49 GLU H 1 77 LYS HB2 . . 4.630 4.440 3.987 4.692 0.062 18 0 "[ . 1 . 2]" 1
1304 1 49 GLU H 1 77 LYS HB3 . . 3.700 2.891 2.458 3.175 . 0 0 "[ . 1 . 2]" 1
1305 1 49 GLU H 1 78 VAL HA . . 4.210 3.971 3.835 4.266 0.056 19 0 "[ . 1 . 2]" 1
1306 1 49 GLU H 1 79 LEU H . . 4.710 3.899 3.443 4.373 . 0 0 "[ . 1 . 2]" 1
1307 1 49 GLU H 1 79 LEU MD2 . . 4.830 4.585 3.356 4.921 0.091 16 0 "[ . 1 . 2]" 1
1308 1 49 GLU H 1 79 LEU HG . . 3.750 3.405 2.721 3.826 0.076 16 0 "[ . 1 . 2]" 1
1309 1 49 GLU HA 1 49 GLU HG2 . . 3.800 2.396 2.231 2.813 . 0 0 "[ . 1 . 2]" 1
1310 1 49 GLU HA 1 49 GLU HG3 . . 3.200 2.734 2.402 3.104 . 0 0 "[ . 1 . 2]" 1
1311 1 49 GLU HA 1 50 VAL H . . 2.730 2.226 2.077 2.397 . 0 0 "[ . 1 . 2]" 1
1312 1 49 GLU HA 1 50 VAL MG2 . . 4.930 3.861 3.504 4.287 . 0 0 "[ . 1 . 2]" 1
1313 1 49 GLU HA 1 59 VAL H . . 5.500 4.542 3.640 5.249 . 0 0 "[ . 1 . 2]" 1
1314 1 49 GLU HA 1 59 VAL HA . . 3.140 2.530 1.893 2.884 . 0 0 "[ . 1 . 2]" 1
1315 1 49 GLU HA 1 59 VAL QG . . 3.930 3.448 3.147 3.666 . 0 0 "[ . 1 . 2]" 1
1316 1 49 GLU HA 1 60 ILE H . . 4.060 3.857 3.160 4.127 0.067 6 0 "[ . 1 . 2]" 1
1317 1 49 GLU HB2 1 50 VAL H . . 4.750 4.542 4.195 4.742 . 0 0 "[ . 1 . 2]" 1
1318 1 49 GLU HB2 1 77 LYS H . . 4.740 4.190 3.754 4.606 . 0 0 "[ . 1 . 2]" 1
1319 1 49 GLU HB2 1 79 LEU MD2 . . 4.150 3.613 2.331 4.176 0.026 18 0 "[ . 1 . 2]" 1
1320 1 49 GLU HB2 1 79 LEU HG . . 3.310 3.204 2.328 3.380 0.070 9 0 "[ . 1 . 2]" 1
1321 1 49 GLU HB3 1 50 VAL H . . 4.580 3.692 2.984 4.230 . 0 0 "[ . 1 . 2]" 1
1322 1 49 GLU HB3 1 77 LYS H . . 4.830 4.331 3.230 4.812 . 0 0 "[ . 1 . 2]" 1
1323 1 49 GLU HG2 1 59 VAL QG . . 3.990 2.602 2.048 3.290 . 0 0 "[ . 1 . 2]" 1
1324 1 49 GLU HG2 1 60 ILE H . . 5.500 5.215 4.710 5.574 0.074 11 0 "[ . 1 . 2]" 1
1325 1 49 GLU HG3 1 50 VAL H . . 4.670 4.816 4.376 5.138 0.468 13 0 "[ . 1 . 2]" 1
1326 1 49 GLU HG3 1 59 VAL HA . . 4.320 3.499 2.347 4.616 0.296 3 0 "[ . 1 . 2]" 1
1327 1 49 GLU HG3 1 59 VAL QG . . 3.950 2.797 2.133 3.528 . 0 0 "[ . 1 . 2]" 1
1328 1 49 GLU HG3 1 60 ILE H . . 5.500 4.967 3.986 5.471 . 0 0 "[ . 1 . 2]" 1
1329 1 50 VAL H 1 50 VAL HB . . 3.220 2.619 2.394 3.313 0.093 11 0 "[ . 1 . 2]" 1
1330 1 50 VAL H 1 50 VAL MG1 . . 4.460 3.813 3.688 3.937 . 0 0 "[ . 1 . 2]" 1
1331 1 50 VAL H 1 50 VAL MG2 . . 3.760 2.568 2.118 3.073 . 0 0 "[ . 1 . 2]" 1
1332 1 50 VAL H 1 51 THR H . . 4.920 4.287 3.630 4.705 . 0 0 "[ . 1 . 2]" 1
1333 1 50 VAL H 1 58 TYR H . . 3.480 3.058 2.322 3.526 0.046 7 0 "[ . 1 . 2]" 1
1334 1 50 VAL H 1 58 TYR HB2 . . 4.320 3.200 2.738 3.900 . 0 0 "[ . 1 . 2]" 1
1335 1 50 VAL H 1 58 TYR HB3 . . 4.950 4.347 4.005 4.858 . 0 0 "[ . 1 . 2]" 1
1336 1 50 VAL H 1 59 VAL H . . 5.380 4.709 3.891 5.037 . 0 0 "[ . 1 . 2]" 1
1337 1 50 VAL H 1 59 VAL HA . . 4.230 3.738 3.129 4.025 . 0 0 "[ . 1 . 2]" 1
1338 1 50 VAL H 1 59 VAL QG . . 5.040 4.525 3.857 4.794 . 0 0 "[ . 1 . 2]" 1
1339 1 50 VAL H 1 60 ILE H . . 5.120 4.794 3.936 5.189 0.069 8 0 "[ . 1 . 2]" 1
1340 1 50 VAL H 1 60 ILE MD . . 5.380 4.102 2.249 5.102 . 0 0 "[ . 1 . 2]" 1
1341 1 50 VAL H 1 60 ILE HG12 . . 4.820 4.135 3.661 4.864 0.044 3 0 "[ . 1 . 2]" 1
1342 1 50 VAL HA 1 50 VAL MG1 . . 3.500 2.429 2.069 2.666 . 0 0 "[ . 1 . 2]" 1
1343 1 50 VAL HA 1 50 VAL MG2 . . 3.410 2.478 2.240 3.129 . 0 0 "[ . 1 . 2]" 1
1344 1 50 VAL HA 1 51 THR H . . 2.880 2.224 1.992 2.568 . 0 0 "[ . 1 . 2]" 1
1345 1 50 VAL HA 1 51 THR HB . . 4.570 4.577 4.362 4.652 0.082 19 0 "[ . 1 . 2]" 1
1346 1 50 VAL HA 1 75 ARG H . . 5.500 4.787 4.313 5.254 . 0 0 "[ . 1 . 2]" 1
1347 1 50 VAL HA 1 76 TRP HA . . 3.430 2.743 2.321 3.411 . 0 0 "[ . 1 . 2]" 1
1348 1 50 VAL HA 1 76 TRP HD1 . . 5.140 4.286 3.672 4.772 . 0 0 "[ . 1 . 2]" 1
1349 1 50 VAL HA 1 77 LYS H . . 3.950 3.349 2.945 3.917 . 0 0 "[ . 1 . 2]" 1
1350 1 50 VAL HB 1 58 TYR H . . 4.170 3.680 3.135 4.218 0.048 4 0 "[ . 1 . 2]" 1
1351 1 50 VAL HB 1 58 TYR HB2 . . 3.360 2.301 2.009 2.601 . 0 0 "[ . 1 . 2]" 1
1352 1 50 VAL HB 1 58 TYR HB3 . . 3.960 3.766 3.283 4.035 0.075 11 0 "[ . 1 . 2]" 1
1353 1 50 VAL HB 1 58 TYR QD . . 3.550 3.387 2.508 3.642 0.092 18 0 "[ . 1 . 2]" 1
1354 1 50 VAL HB 1 60 ILE MD . . 4.580 3.850 2.268 4.659 0.079 11 0 "[ . 1 . 2]" 1
1355 1 50 VAL HB 1 76 TRP HE1 . . 4.830 4.874 4.686 4.919 0.089 19 0 "[ . 1 . 2]" 1
1356 1 50 VAL MG1 1 51 THR H . . 3.850 2.989 2.324 3.575 . 0 0 "[ . 1 . 2]" 1
1357 1 50 VAL MG1 1 51 THR HA . . 4.970 4.093 3.478 5.044 0.074 11 0 "[ . 1 . 2]" 1
1358 1 50 VAL MG1 1 52 THR H . . 5.350 4.174 3.715 5.259 . 0 0 "[ . 1 . 2]" 1
1359 1 50 VAL MG1 1 52 THR MG . . 3.890 3.007 2.226 3.937 0.047 15 0 "[ . 1 . 2]" 1
1360 1 50 VAL MG1 1 58 TYR H . . 5.500 4.447 3.987 5.015 . 0 0 "[ . 1 . 2]" 1
1361 1 50 VAL MG1 1 58 TYR HB2 . . 5.170 3.571 3.020 4.079 . 0 0 "[ . 1 . 2]" 1
1362 1 50 VAL MG1 1 68 PHE QD . . 4.830 4.478 3.872 4.914 0.084 15 0 "[ . 1 . 2]" 1
1363 1 50 VAL MG1 1 68 PHE QE . . 3.230 2.657 2.132 3.301 0.071 8 0 "[ . 1 . 2]" 1
1364 1 50 VAL MG1 1 68 PHE HZ . . 4.740 3.253 2.431 3.828 . 0 0 "[ . 1 . 2]" 1
1365 1 50 VAL MG1 1 74 CYS HA . . 4.790 4.716 4.420 4.898 0.108 3 0 "[ . 1 . 2]" 1
1366 1 50 VAL MG1 1 74 CYS QB . . 3.440 2.579 2.282 2.918 . 0 0 "[ . 1 . 2]" 1
1367 1 50 VAL MG1 1 75 ARG H . . 4.500 3.852 3.343 4.291 . 0 0 "[ . 1 . 2]" 1
1368 1 50 VAL MG1 1 76 TRP HA . . 4.650 3.419 2.139 3.867 . 0 0 "[ . 1 . 2]" 1
1369 1 50 VAL MG1 1 76 TRP HD1 . . 3.710 2.717 2.153 3.589 . 0 0 "[ . 1 . 2]" 1
1370 1 50 VAL MG1 1 76 TRP HE1 . . 4.910 2.674 2.373 3.085 . 0 0 "[ . 1 . 2]" 1
1371 1 50 VAL MG2 1 51 THR H . . 4.450 4.198 3.817 4.560 0.110 15 0 "[ . 1 . 2]" 1
1372 1 50 VAL MG2 1 58 TYR H . . 5.250 4.681 3.888 5.167 . 0 0 "[ . 1 . 2]" 1
1373 1 50 VAL MG2 1 58 TYR HB2 . . 4.860 3.538 2.097 4.101 . 0 0 "[ . 1 . 2]" 1
1374 1 50 VAL MG2 1 58 TYR HB3 . . 5.180 4.366 2.722 5.061 . 0 0 "[ . 1 . 2]" 1
1375 1 50 VAL MG2 1 58 TYR QD . . 5.160 4.567 2.678 5.009 . 0 0 "[ . 1 . 2]" 1
1376 1 50 VAL MG2 1 59 VAL HA . . 5.360 4.835 4.122 5.431 0.071 12 0 "[ . 1 . 2]" 1
1377 1 50 VAL MG2 1 60 ILE H . . 5.500 4.791 4.355 5.356 . 0 0 "[ . 1 . 2]" 1
1378 1 50 VAL MG2 1 60 ILE HB . . 5.500 5.313 4.870 5.594 0.094 16 0 "[ . 1 . 2]" 1
1379 1 50 VAL MG2 1 60 ILE MD . . 3.690 2.392 1.871 2.726 . 0 0 "[ . 1 . 2]" 1
1380 1 50 VAL MG2 1 60 ILE HG12 . . 5.310 3.228 2.728 3.497 . 0 0 "[ . 1 . 2]" 1
1381 1 50 VAL MG2 1 60 ILE HG13 . . 4.760 3.925 3.193 4.478 . 0 0 "[ . 1 . 2]" 1
1382 1 50 VAL MG2 1 60 ILE MG . . 4.440 3.956 3.274 4.483 0.043 6 0 "[ . 1 . 2]" 1
1383 1 50 VAL MG2 1 68 PHE QD . . 5.500 5.264 4.700 5.557 0.057 5 0 "[ . 1 . 2]" 1
1384 1 50 VAL MG2 1 68 PHE QE . . 3.940 3.436 2.622 3.807 . 0 0 "[ . 1 . 2]" 1
1385 1 50 VAL MG2 1 68 PHE HZ . . 3.500 2.641 2.295 3.150 . 0 0 "[ . 1 . 2]" 1
1386 1 50 VAL MG2 1 74 CYS QB . . 5.500 4.752 4.180 5.097 . 0 0 "[ . 1 . 2]" 1
1387 1 50 VAL MG2 1 76 TRP HA . . 3.870 2.955 2.261 3.976 0.106 15 0 "[ . 1 . 2]" 1
1388 1 50 VAL MG2 1 76 TRP HD1 . . 3.870 3.430 2.881 3.997 0.127 11 0 "[ . 1 . 2]" 1
1389 1 50 VAL MG2 1 76 TRP HE1 . . 4.550 2.792 2.563 3.282 . 0 0 "[ . 1 . 2]" 1
1390 1 50 VAL MG2 1 76 TRP HZ2 . . 4.410 3.147 2.681 3.605 . 0 0 "[ . 1 . 2]" 1
1391 1 50 VAL MG2 1 77 LYS H . . 4.840 3.957 3.465 4.907 0.067 11 0 "[ . 1 . 2]" 1
1392 1 51 THR H 1 51 THR HB . . 3.330 2.657 2.426 3.113 . 0 0 "[ . 1 . 2]" 1
1393 1 51 THR H 1 51 THR MG . . 4.540 3.837 3.124 4.019 . 0 0 "[ . 1 . 2]" 1
1394 1 51 THR H 1 52 THR H . . 5.170 4.248 4.027 4.513 . 0 0 "[ . 1 . 2]" 1
1395 1 51 THR H 1 74 CYS QB . . 4.610 3.664 2.736 4.528 . 0 0 "[ . 1 . 2]" 1
1396 1 51 THR H 1 75 ARG QB . . 4.100 3.062 2.639 3.955 . 0 0 "[ . 1 . 2]" 1
1397 1 51 THR H 1 76 TRP HA . . 4.720 4.083 3.639 4.788 0.068 11 0 "[ . 1 . 2]" 1
1398 1 51 THR HA 1 51 THR MG . . 3.170 2.404 2.216 3.234 0.064 1 0 "[ . 1 . 2]" 1
1399 1 51 THR HA 1 52 THR H . . 2.840 2.213 2.159 2.305 . 0 0 "[ . 1 . 2]" 1
1400 1 51 THR HA 1 52 THR MG . . 4.020 3.761 3.491 3.995 . 0 0 "[ . 1 . 2]" 1
1401 1 51 THR HA 1 57 LYS H . . 5.330 4.662 4.176 5.037 . 0 0 "[ . 1 . 2]" 1
1402 1 51 THR HA 1 57 LYS HA . . 3.010 2.310 1.828 2.650 . 0 0 "[ . 1 . 2]" 1
1403 1 51 THR HA 1 57 LYS QD . . 5.200 4.579 3.336 5.103 . 0 0 "[ . 1 . 2]" 1
1404 1 51 THR HA 1 57 LYS QG . . 5.370 4.209 2.775 5.438 0.068 9 0 "[ . 1 . 2]" 1
1405 1 51 THR HA 1 58 TYR H . . 4.040 3.455 2.913 3.813 . 0 0 "[ . 1 . 2]" 1
1406 1 51 THR HA 1 58 TYR QD . . 4.960 3.984 2.890 5.032 0.072 19 0 "[ . 1 . 2]" 1
1407 1 51 THR HB 1 52 THR H . . 4.390 4.400 4.151 4.455 0.065 8 0 "[ . 1 . 2]" 1
1408 1 51 THR HB 1 75 ARG H . . 4.330 3.973 3.360 4.426 0.096 1 0 "[ . 1 . 2]" 1
1409 1 51 THR HB 1 75 ARG QB . . 3.850 2.738 2.036 3.362 . 0 0 "[ . 1 . 2]" 1
1410 1 51 THR MG 1 52 THR H . . 3.660 3.132 2.765 3.398 . 0 0 "[ . 1 . 2]" 1
1411 1 51 THR MG 1 53 GLU HA . . 5.500 4.518 3.835 5.403 . 0 0 "[ . 1 . 2]" 1
1412 1 51 THR MG 1 55 GLY H . . 4.530 3.644 3.182 4.120 . 0 0 "[ . 1 . 2]" 1
1413 1 51 THR MG 1 55 GLY HA2 . . 3.880 2.707 2.123 3.064 . 0 0 "[ . 1 . 2]" 1
1414 1 51 THR MG 1 55 GLY HA3 . . 4.280 4.070 3.399 4.365 0.085 2 0 "[ . 1 . 2]" 1
1415 1 51 THR MG 1 56 LYS H . . 5.040 4.215 3.606 4.979 . 0 0 "[ . 1 . 2]" 1
1416 1 51 THR MG 1 57 LYS HA . . 4.090 3.275 2.426 4.174 0.084 1 0 "[ . 1 . 2]" 1
1417 1 51 THR MG 1 57 LYS QE . . 4.280 3.754 2.332 4.389 0.109 15 0 "[ . 1 . 2]" 1
1418 1 51 THR MG 1 58 TYR H . . 5.440 4.890 4.322 5.412 . 0 0 "[ . 1 . 2]" 1
1419 1 51 THR MG 1 75 ARG H . . 5.500 4.481 2.867 5.040 . 0 0 "[ . 1 . 2]" 1
1420 1 52 THR H 1 52 THR MG . . 3.390 2.288 1.972 2.542 . 0 0 "[ . 1 . 2]" 1
1421 1 52 THR H 1 53 GLU H . . 5.390 4.624 4.514 4.748 . 0 0 "[ . 1 . 2]" 1
1422 1 52 THR H 1 55 GLY H . . 4.890 4.073 3.333 4.471 . 0 0 "[ . 1 . 2]" 1
1423 1 52 THR H 1 55 GLY HA2 . . 5.320 4.613 4.083 5.310 . 0 0 "[ . 1 . 2]" 1
1424 1 52 THR H 1 56 LYS H . . 3.910 3.733 3.373 3.983 0.073 5 0 "[ . 1 . 2]" 1
1425 1 52 THR H 1 56 LYS HA . . 5.280 4.999 4.656 5.350 0.070 6 0 "[ . 1 . 2]" 1
1426 1 52 THR H 1 56 LYS HB2 . . 4.590 3.788 3.244 5.238 0.648 14 1 "[ . 1 +. 2]" 1
1427 1 52 THR H 1 56 LYS HB3 . . 5.260 4.684 3.844 5.190 . 0 0 "[ . 1 . 2]" 1
1428 1 52 THR H 1 57 LYS HA . . 4.460 3.709 3.102 4.329 . 0 0 "[ . 1 . 2]" 1
1429 1 52 THR H 1 58 TYR QE . . 5.050 3.906 2.500 4.993 . 0 0 "[ . 1 . 2]" 1
1430 1 52 THR HA 1 52 THR MG . . 3.380 2.424 2.343 2.513 . 0 0 "[ . 1 . 2]" 1
1431 1 52 THR HA 1 53 GLU H . . 3.350 2.542 2.325 2.739 . 0 0 "[ . 1 . 2]" 1
1432 1 52 THR HA 1 53 GLU HA . . 4.500 4.312 4.058 4.465 . 0 0 "[ . 1 . 2]" 1
1433 1 52 THR HA 1 53 GLU HB3 . . 5.200 4.904 4.455 5.260 0.060 2 0 "[ . 1 . 2]" 1
1434 1 52 THR HA 1 72 LEU QD . . 4.650 3.969 3.437 4.418 . 0 0 "[ . 1 . 2]" 1
1435 1 52 THR HA 1 74 CYS HA . . 3.080 2.849 2.282 3.161 0.081 13 0 "[ . 1 . 2]" 1
1436 1 52 THR HA 1 74 CYS QB . . 3.460 2.042 1.934 2.225 . 0 0 "[ . 1 . 2]" 1
1437 1 52 THR HA 1 75 ARG H . . 4.860 3.410 3.166 3.739 . 0 0 "[ . 1 . 2]" 1
1438 1 52 THR HB 1 53 GLU H . . 3.190 2.394 2.051 2.668 . 0 0 "[ . 1 . 2]" 1
1439 1 52 THR HB 1 54 ASP H . . 3.630 3.006 2.503 3.555 . 0 0 "[ . 1 . 2]" 1
1440 1 52 THR HB 1 55 GLY H . . 5.110 4.499 3.836 5.139 0.029 3 0 "[ . 1 . 2]" 1
1441 1 52 THR HB 1 56 LYS H . . 5.380 4.806 4.049 5.349 . 0 0 "[ . 1 . 2]" 1
1442 1 52 THR HB 1 72 LEU QD . . 3.650 3.396 2.947 3.654 0.004 4 0 "[ . 1 . 2]" 1
1443 1 52 THR HB 1 74 CYS HA . . 4.700 4.672 4.162 4.780 0.080 6 0 "[ . 1 . 2]" 1
1444 1 52 THR HB 1 74 CYS QB . . 4.780 3.503 3.102 3.823 . 0 0 "[ . 1 . 2]" 1
1445 1 52 THR MG 1 53 GLU H . . 4.550 3.811 3.580 3.987 . 0 0 "[ . 1 . 2]" 1
1446 1 52 THR MG 1 54 ASP H . . 5.130 4.405 3.972 4.840 . 0 0 "[ . 1 . 2]" 1
1447 1 52 THR MG 1 55 GLY H . . 5.400 4.967 4.364 5.463 0.063 3 0 "[ . 1 . 2]" 1
1448 1 52 THR MG 1 56 LYS H . . 4.940 4.407 3.604 4.890 . 0 0 "[ . 1 . 2]" 1
1449 1 52 THR MG 1 56 LYS HB2 . . 3.780 3.449 2.357 4.515 0.735 14 1 "[ . 1 +. 2]" 1
1450 1 52 THR MG 1 58 TYR QD . . 3.190 2.758 2.043 3.289 0.099 6 0 "[ . 1 . 2]" 1
1451 1 52 THR MG 1 58 TYR QE . . 2.680 2.228 1.950 2.507 . 0 0 "[ . 1 . 2]" 1
1452 1 52 THR MG 1 72 LEU QD . . 3.790 2.463 1.963 3.194 . 0 0 "[ . 1 . 2]" 1
1453 1 52 THR MG 1 74 CYS HA . . 4.660 4.290 3.832 4.711 0.051 14 0 "[ . 1 . 2]" 1
1454 1 52 THR MG 1 74 CYS QB . . 3.840 2.370 2.026 2.868 . 0 0 "[ . 1 . 2]" 1
1455 1 53 GLU H 1 53 GLU HB2 . . 3.520 2.921 2.218 3.611 0.091 12 0 "[ . 1 . 2]" 1
1456 1 53 GLU H 1 53 GLU HB3 . . 3.360 2.577 2.290 2.877 . 0 0 "[ . 1 . 2]" 1
1457 1 53 GLU H 1 53 GLU HG2 . . 5.400 3.534 1.932 4.558 . 0 0 "[ . 1 . 2]" 1
1458 1 53 GLU H 1 53 GLU QG . . 4.120 3.166 1.901 4.045 . 0 0 "[ . 1 . 2]" 1
1459 1 53 GLU H 1 54 ASP H . . 4.000 2.598 2.346 2.927 . 0 0 "[ . 1 . 2]" 1
1460 1 53 GLU H 1 72 LEU QD . . 4.920 4.353 3.944 4.645 . 0 0 "[ . 1 . 2]" 1
1461 1 53 GLU H 1 74 CYS HA . . 3.900 3.646 3.136 3.959 0.059 15 0 "[ . 1 . 2]" 1
1462 1 53 GLU H 1 74 CYS QB . . 4.930 3.776 3.208 4.164 . 0 0 "[ . 1 . 2]" 1
1463 1 53 GLU HA 1 53 GLU QG . . 3.550 2.930 2.236 3.529 . 0 0 "[ . 1 . 2]" 1
1464 1 53 GLU HA 1 55 GLY H . . 4.400 3.510 3.076 4.018 . 0 0 "[ . 1 . 2]" 1
1465 1 53 GLU HA 1 74 CYS HA . . 4.860 4.849 4.568 4.949 0.089 12 0 "[ . 1 . 2]" 1
1466 1 53 GLU HB2 1 53 GLU QG . . 2.470 2.349 2.147 2.487 0.017 14 0 "[ . 1 . 2]" 1
1467 1 53 GLU HB2 1 54 ASP H . . 4.070 3.924 3.721 4.138 0.068 9 0 "[ . 1 . 2]" 1
1468 1 53 GLU HB3 1 53 GLU QG . . 2.590 2.353 2.151 2.557 . 0 0 "[ . 1 . 2]" 1
1469 1 53 GLU HB3 1 54 ASP H . . 4.840 3.418 2.619 4.413 . 0 0 "[ . 1 . 2]" 1
1470 1 53 GLU HB3 1 55 GLY H . . 5.500 5.112 4.710 5.582 0.082 10 0 "[ . 1 . 2]" 1
1471 1 53 GLU HG2 1 54 ASP H . . 4.300 3.851 1.979 5.209 0.909 1 4 "[+-* . 1* . 2]" 1
1472 1 53 GLU HG2 1 55 GLY H . . 5.500 5.502 4.649 6.399 0.899 11 5 "[**- . * 1+ . 2]" 1
1473 1 54 ASP H 1 54 ASP HB2 . . 4.020 2.369 1.932 2.862 . 0 0 "[ . 1 . 2]" 1
1474 1 54 ASP H 1 54 ASP HB3 . . 3.690 2.984 2.294 3.595 . 0 0 "[ . 1 . 2]" 1
1475 1 54 ASP H 1 55 GLY H . . 3.310 2.759 2.569 2.984 . 0 0 "[ . 1 . 2]" 1
1476 1 54 ASP H 1 55 GLY HA3 . . 5.500 5.382 5.172 5.549 0.049 18 0 "[ . 1 . 2]" 1
1477 1 54 ASP H 1 56 LYS H . . 4.700 4.025 3.592 4.410 . 0 0 "[ . 1 . 2]" 1
1478 1 54 ASP HA 1 54 ASP HB3 . . 2.990 2.851 2.361 3.057 0.067 15 0 "[ . 1 . 2]" 1
1479 1 54 ASP HB2 1 55 GLY H . . 5.410 3.927 3.044 4.545 . 0 0 "[ . 1 . 2]" 1
1480 1 54 ASP HB3 1 55 GLY H . . 5.480 3.728 2.948 4.428 . 0 0 "[ . 1 . 2]" 1
1481 1 55 GLY H 1 56 LYS H . . 3.250 2.671 2.134 3.043 . 0 0 "[ . 1 . 2]" 1
1482 1 55 GLY H 1 56 LYS HB2 . . 5.500 4.746 4.166 5.483 . 0 0 "[ . 1 . 2]" 1
1483 1 56 LYS H 1 56 LYS HB2 . . 3.170 2.440 2.264 2.641 . 0 0 "[ . 1 . 2]" 1
1484 1 56 LYS H 1 56 LYS HB3 . . 3.830 3.530 2.002 3.687 . 0 0 "[ . 1 . 2]" 1
1485 1 56 LYS H 1 56 LYS QD . . 4.920 4.132 3.588 4.674 . 0 0 "[ . 1 . 2]" 1
1486 1 56 LYS H 1 56 LYS HG2 . . 4.040 2.826 2.139 3.854 . 0 0 "[ . 1 . 2]" 1
1487 1 56 LYS H 1 56 LYS HG3 . . 3.750 3.312 2.449 4.130 0.380 14 0 "[ . 1 . 2]" 1
1488 1 56 LYS H 1 57 LYS H . . 5.280 4.484 4.191 4.668 . 0 0 "[ . 1 . 2]" 1
1489 1 56 LYS HA 1 56 LYS HB3 . . 3.010 2.566 2.430 3.059 0.049 14 0 "[ . 1 . 2]" 1
1490 1 56 LYS HA 1 56 LYS QD . . 3.940 2.903 2.122 4.017 0.077 3 0 "[ . 1 . 2]" 1
1491 1 56 LYS HA 1 56 LYS HG2 . . 3.400 2.680 2.181 3.370 . 0 0 "[ . 1 . 2]" 1
1492 1 56 LYS HA 1 56 LYS HG3 . . 3.810 3.557 2.467 3.884 0.074 1 0 "[ . 1 . 2]" 1
1493 1 56 LYS HA 1 57 LYS H . . 2.700 2.173 2.060 2.331 . 0 0 "[ . 1 . 2]" 1
1494 1 56 LYS HA 1 57 LYS HA . . 4.700 4.444 4.369 4.526 . 0 0 "[ . 1 . 2]" 1
1495 1 56 LYS HA 1 57 LYS QB . . 4.650 4.262 3.817 4.583 . 0 0 "[ . 1 . 2]" 1
1496 1 56 LYS HB2 1 57 LYS H . . 4.430 4.261 3.914 4.491 0.061 18 0 "[ . 1 . 2]" 1
1497 1 56 LYS HB2 1 58 TYR QD . . 5.500 4.395 3.660 5.551 0.051 5 0 "[ . 1 . 2]" 1
1498 1 56 LYS HB2 1 58 TYR QE . . 3.980 2.869 2.226 4.149 0.169 14 0 "[ . 1 . 2]" 1
1499 1 56 LYS HB3 1 56 LYS HG3 . . 2.900 2.735 2.472 2.985 0.085 3 0 "[ . 1 . 2]" 1
1500 1 56 LYS HB3 1 57 LYS H . . 3.820 3.427 2.715 4.226 0.406 14 0 "[ . 1 . 2]" 1
1501 1 56 LYS HB3 1 58 TYR QE . . 4.050 2.930 2.389 4.130 0.080 6 0 "[ . 1 . 2]" 1
1502 1 56 LYS QD 1 57 LYS H . . 4.870 4.153 3.495 4.958 0.088 3 0 "[ . 1 . 2]" 1
1503 1 56 LYS QD 1 58 TYR QE . . 4.170 3.831 2.402 4.271 0.101 4 0 "[ . 1 . 2]" 1
1504 1 56 LYS HG2 1 57 LYS H . . 4.930 4.584 3.299 5.009 0.079 13 0 "[ . 1 . 2]" 1
1505 1 57 LYS H 1 57 LYS QB . . 3.010 2.526 2.129 2.919 . 0 0 "[ . 1 . 2]" 1
1506 1 57 LYS H 1 57 LYS QD . . 5.130 3.193 1.856 4.467 . 0 0 "[ . 1 . 2]" 1
1507 1 57 LYS H 1 57 LYS HG3 . . 4.970 3.835 2.522 4.532 . 0 0 "[ . 1 . 2]" 1
1508 1 57 LYS H 1 58 TYR H . . 5.020 4.396 3.816 4.608 . 0 0 "[ . 1 . 2]" 1
1509 1 57 LYS HA 1 57 LYS QG . . 3.350 2.747 2.101 3.455 0.105 9 0 "[ . 1 . 2]" 1
1510 1 57 LYS HA 1 58 TYR H . . 2.730 2.174 1.991 2.327 . 0 0 "[ . 1 . 2]" 1
1511 1 57 LYS HA 1 58 TYR HB2 . . 4.930 4.537 4.317 4.808 . 0 0 "[ . 1 . 2]" 1
1512 1 57 LYS HA 1 58 TYR QD . . 4.080 3.748 3.106 4.172 0.092 7 0 "[ . 1 . 2]" 1
1513 1 57 LYS QB 1 57 LYS QE . . 4.290 2.934 2.021 3.819 . 0 0 "[ . 1 . 2]" 1
1514 1 57 LYS QB 1 58 TYR H . . 3.750 3.117 2.530 3.592 . 0 0 "[ . 1 . 2]" 1
1515 1 57 LYS QB 1 59 VAL H . . 5.500 4.551 3.227 5.365 . 0 0 "[ . 1 . 2]" 1
1516 1 57 LYS QE 1 57 LYS QG . . 3.140 2.269 2.004 2.793 . 0 0 "[ . 1 . 2]" 1
1517 1 57 LYS QG 1 58 TYR HA . . 5.320 4.888 4.030 5.729 0.409 20 0 "[ . 1 . 2]" 1
1518 1 58 TYR H 1 58 TYR HB2 . . 3.500 2.651 2.344 2.904 . 0 0 "[ . 1 . 2]" 1
1519 1 58 TYR H 1 58 TYR HB3 . . 3.990 3.747 3.517 3.901 . 0 0 "[ . 1 . 2]" 1
1520 1 58 TYR H 1 58 TYR QD . . 3.350 2.987 2.359 3.439 0.089 19 0 "[ . 1 . 2]" 1
1521 1 58 TYR H 1 58 TYR QE . . 5.250 4.967 4.388 5.322 0.072 16 0 "[ . 1 . 2]" 1
1522 1 58 TYR H 1 59 VAL H . . 4.880 3.989 3.403 4.346 . 0 0 "[ . 1 . 2]" 1
1523 1 58 TYR HA 1 58 TYR QD . . 3.220 2.882 2.204 3.308 0.088 17 0 "[ . 1 . 2]" 1
1524 1 58 TYR HA 1 58 TYR QE . . 5.280 4.738 4.483 4.986 . 0 0 "[ . 1 . 2]" 1
1525 1 58 TYR HA 1 59 VAL H . . 2.860 2.146 1.906 2.405 . 0 0 "[ . 1 . 2]" 1
1526 1 58 TYR HA 1 59 VAL HB . . 4.650 4.518 4.246 5.003 0.353 20 0 "[ . 1 . 2]" 1
1527 1 58 TYR HA 1 59 VAL QG . . 4.680 3.646 3.016 4.176 . 0 0 "[ . 1 . 2]" 1
1528 1 58 TYR HB2 1 59 VAL H . . 4.520 4.224 3.643 4.478 . 0 0 "[ . 1 . 2]" 1
1529 1 58 TYR HB2 1 60 ILE MD . . 4.990 4.263 2.750 5.064 0.074 16 0 "[ . 1 . 2]" 1
1530 1 58 TYR HB2 1 60 ILE HG12 . . 5.390 4.996 4.032 5.702 0.312 20 0 "[ . 1 . 2]" 1
1531 1 58 TYR HB2 1 60 ILE MG . . 5.170 4.348 3.478 5.229 0.059 20 0 "[ . 1 . 2]" 1
1532 1 58 TYR HB3 1 59 VAL H . . 3.890 3.523 2.530 3.971 0.081 11 0 "[ . 1 . 2]" 1
1533 1 58 TYR HB3 1 59 VAL HA . . 5.500 4.935 4.435 5.185 . 0 0 "[ . 1 . 2]" 1
1534 1 58 TYR HB3 1 60 ILE MD . . 4.870 4.123 2.728 4.933 0.063 16 0 "[ . 1 . 2]" 1
1535 1 58 TYR HB3 1 60 ILE HG12 . . 5.340 4.825 3.930 5.471 0.131 20 0 "[ . 1 . 2]" 1
1536 1 58 TYR QD 1 59 VAL H . . 4.550 4.381 3.802 4.645 0.095 13 0 "[ . 1 . 2]" 1
1537 1 59 VAL H 1 59 VAL HB . . 3.170 2.563 2.235 2.933 . 0 0 "[ . 1 . 2]" 1
1538 1 59 VAL H 1 59 VAL QG . . 3.600 2.417 1.689 3.025 . 0 0 "[ . 1 . 2]" 1
1539 1 59 VAL H 1 60 ILE H . . 5.270 4.403 4.067 4.715 . 0 0 "[ . 1 . 2]" 1
1540 1 59 VAL H 1 60 ILE MG . . 5.500 4.462 3.301 5.600 0.100 19 0 "[ . 1 . 2]" 1
1541 1 59 VAL HA 1 59 VAL QG . . 3.320 2.230 2.081 2.456 . 0 0 "[ . 1 . 2]" 1
1542 1 59 VAL HA 1 60 ILE H . . 2.820 2.219 2.075 2.438 . 0 0 "[ . 1 . 2]" 1
1543 1 59 VAL HA 1 60 ILE HG12 . . 5.230 3.560 3.094 3.931 . 0 0 "[ . 1 . 2]" 1
1544 1 59 VAL HA 1 60 ILE HG13 . . 5.150 4.749 3.964 5.232 0.082 12 0 "[ . 1 . 2]" 1
1545 1 59 VAL HA 1 60 ILE MG . . 4.830 4.392 3.791 4.945 0.115 19 0 "[ . 1 . 2]" 1
1546 1 59 VAL HB 1 60 ILE H . . 4.610 4.175 3.732 4.568 . 0 0 "[ . 1 . 2]" 1
1547 1 59 VAL QG 1 60 ILE H . . 3.450 2.617 2.117 3.262 . 0 0 "[ . 1 . 2]" 1
1548 1 59 VAL QG 1 60 ILE HA . . 5.150 3.495 3.210 3.914 . 0 0 "[ . 1 . 2]" 1
1549 1 59 VAL QG 1 61 GLU H . . 4.520 3.992 3.100 4.559 0.039 6 0 "[ . 1 . 2]" 1
1550 1 59 VAL QG 1 61 GLU HG2 . . 5.410 4.161 3.298 4.993 . 0 0 "[ . 1 . 2]" 1
1551 1 60 ILE H 1 60 ILE HB . . 3.830 3.640 3.016 3.875 0.045 16 0 "[ . 1 . 2]" 1
1552 1 60 ILE H 1 60 ILE MD . . 4.630 3.742 2.713 4.153 . 0 0 "[ . 1 . 2]" 1
1553 1 60 ILE H 1 60 ILE HG12 . . 3.890 2.289 1.492 2.775 . 0 0 "[ . 1 . 2]" 1
1554 1 60 ILE H 1 60 ILE HG13 . . 3.200 2.958 2.479 3.272 0.072 12 0 "[ . 1 . 2]" 1
1555 1 60 ILE H 1 60 ILE MG . . 4.150 3.468 3.067 3.653 . 0 0 "[ . 1 . 2]" 1
1556 1 60 ILE H 1 61 GLU H . . 5.130 4.182 3.529 4.517 . 0 0 "[ . 1 . 2]" 1
1557 1 60 ILE HA 1 60 ILE MD . . 4.790 4.041 3.235 4.272 . 0 0 "[ . 1 . 2]" 1
1558 1 60 ILE HA 1 60 ILE HG12 . . 3.940 3.679 3.437 3.754 . 0 0 "[ . 1 . 2]" 1
1559 1 60 ILE HA 1 60 ILE HG13 . . 4.170 3.926 3.745 4.195 0.025 20 0 "[ . 1 . 2]" 1
1560 1 60 ILE HA 1 60 ILE MG . . 3.390 2.174 1.969 2.324 . 0 0 "[ . 1 . 2]" 1
1561 1 60 ILE HA 1 61 GLU H . . 2.800 2.177 2.043 2.495 . 0 0 "[ . 1 . 2]" 1
1562 1 60 ILE HA 1 61 GLU HA . . 5.190 4.420 4.281 4.584 . 0 0 "[ . 1 . 2]" 1
1563 1 60 ILE HA 1 61 GLU HG2 . . 5.470 4.942 3.895 6.045 0.575 13 2 "[ - . 1 + . 2]" 1
1564 1 60 ILE HA 1 64 ASP HB2 . . 5.040 3.220 2.694 4.066 . 0 0 "[ . 1 . 2]" 1
1565 1 60 ILE HB 1 60 ILE MD . . 3.320 2.644 2.377 3.182 . 0 0 "[ . 1 . 2]" 1
1566 1 60 ILE HB 1 61 GLU H . . 3.910 3.337 2.880 3.978 0.068 15 0 "[ . 1 . 2]" 1
1567 1 60 ILE HB 1 61 GLU HA . . 5.290 4.511 3.891 4.971 . 0 0 "[ . 1 . 2]" 1
1568 1 60 ILE HB 1 64 ASP HB2 . . 4.590 2.981 2.208 3.940 . 0 0 "[ . 1 . 2]" 1
1569 1 60 ILE HB 1 64 ASP HB3 . . 5.120 3.977 3.110 5.172 0.052 10 0 "[ . 1 . 2]" 1
1570 1 60 ILE HB 1 66 VAL QG . . 3.760 3.479 3.005 3.819 0.059 10 0 "[ . 1 . 2]" 1
1571 1 60 ILE MD 1 60 ILE MG . . 3.220 2.058 1.883 2.198 . 0 0 "[ . 1 . 2]" 1
1572 1 60 ILE MD 1 66 VAL HB . . 5.040 4.299 3.950 5.118 0.078 18 0 "[ . 1 . 2]" 1
1573 1 60 ILE MD 1 66 VAL QG . . 3.740 2.367 2.012 2.927 . 0 0 "[ . 1 . 2]" 1
1574 1 60 ILE MD 1 68 PHE HZ . . 3.680 3.411 2.931 3.785 0.105 20 0 "[ . 1 . 2]" 1
1575 1 60 ILE HG12 1 60 ILE MG . . 3.730 2.638 2.286 3.131 . 0 0 "[ . 1 . 2]" 1
1576 1 60 ILE HG12 1 61 GLU H . . 5.220 5.198 4.841 5.302 0.082 14 0 "[ . 1 . 2]" 1
1577 1 60 ILE HG13 1 61 GLU HA . . 5.420 5.054 4.325 5.787 0.367 20 0 "[ . 1 . 2]" 1
1578 1 60 ILE MG 1 61 GLU H . . 4.000 3.529 2.919 3.961 . 0 0 "[ . 1 . 2]" 1
1579 1 60 ILE MG 1 64 ASP H . . 5.030 4.651 4.044 5.119 0.089 11 0 "[ . 1 . 2]" 1
1580 1 60 ILE MG 1 64 ASP HB2 . . 3.950 2.668 2.172 3.083 . 0 0 "[ . 1 . 2]" 1
1581 1 60 ILE MG 1 66 VAL QG . . 4.030 2.017 1.768 2.598 . 0 0 "[ . 1 . 2]" 1
1582 1 60 ILE MG 1 68 PHE HZ . . 5.500 4.777 3.906 5.539 0.039 6 0 "[ . 1 . 2]" 1
1583 1 61 GLU H 1 61 GLU HB2 . . 3.740 3.182 2.398 3.830 0.090 12 0 "[ . 1 . 2]" 1
1584 1 61 GLU H 1 61 GLU HG2 . . 3.770 3.432 2.105 4.249 0.479 7 0 "[ . 1 . 2]" 1
1585 1 61 GLU H 1 61 GLU HG3 . . 4.170 3.208 2.265 3.812 . 0 0 "[ . 1 . 2]" 1
1586 1 61 GLU H 1 62 LYS H . . 5.200 4.351 4.158 4.544 . 0 0 "[ . 1 . 2]" 1
1587 1 61 GLU H 1 64 ASP H . . 4.670 3.791 3.294 4.651 . 0 0 "[ . 1 . 2]" 1
1588 1 61 GLU H 1 64 ASP HB2 . . 3.940 2.938 2.387 3.635 . 0 0 "[ . 1 . 2]" 1
1589 1 61 GLU H 1 64 ASP HB3 . . 4.460 4.210 3.782 4.538 0.078 7 0 "[ . 1 . 2]" 1
1590 1 61 GLU HA 1 61 GLU HG2 . . 4.140 3.566 2.195 4.203 0.063 5 0 "[ . 1 . 2]" 1
1591 1 61 GLU HA 1 61 GLU HG3 . . 3.980 3.267 2.324 4.206 0.226 15 0 "[ . 1 . 2]" 1
1592 1 61 GLU HA 1 62 LYS H . . 2.910 2.542 2.405 2.704 . 0 0 "[ . 1 . 2]" 1
1593 1 61 GLU HA 1 62 LYS HA . . 4.820 4.357 4.043 4.574 . 0 0 "[ . 1 . 2]" 1
1594 1 61 GLU HA 1 62 LYS QB . . 4.540 4.371 4.021 4.630 0.090 7 0 "[ . 1 . 2]" 1
1595 1 61 GLU QB 1 62 LYS H . . 3.480 2.069 1.834 2.313 . 0 0 "[ . 1 . 2]" 1
1596 1 61 GLU HB2 1 62 LYS H . . 3.180 2.644 1.997 3.373 0.193 20 0 "[ . 1 . 2]" 1
1597 1 61 GLU HG2 1 62 LYS H . . 4.460 4.154 3.579 4.469 0.009 17 0 "[ . 1 . 2]" 1
1598 1 61 GLU HG3 1 62 LYS H . . 4.310 3.839 2.894 4.542 0.232 4 0 "[ . 1 . 2]" 1
1599 1 62 LYS H 1 62 LYS QB . . 2.860 2.423 2.088 2.656 . 0 0 "[ . 1 . 2]" 1
1600 1 62 LYS H 1 62 LYS HD2 . . 5.500 4.240 3.513 4.962 . 0 0 "[ . 1 . 2]" 1
1601 1 62 LYS H 1 62 LYS HD3 . . 5.500 3.389 2.197 4.914 . 0 0 "[ . 1 . 2]" 1
1602 1 62 LYS H 1 62 LYS HG2 . . 4.890 2.377 1.709 4.499 . 0 0 "[ . 1 . 2]" 1
1603 1 62 LYS H 1 62 LYS HG3 . . 5.130 3.652 2.853 4.526 . 0 0 "[ . 1 . 2]" 1
1604 1 62 LYS H 1 63 GLY H . . 4.970 3.941 3.448 4.534 . 0 0 "[ . 1 . 2]" 1
1605 1 62 LYS HA 1 62 LYS HD2 . . 5.250 4.830 4.051 5.476 0.226 6 0 "[ . 1 . 2]" 1
1606 1 62 LYS HA 1 62 LYS HD3 . . 5.420 4.624 4.318 5.032 . 0 0 "[ . 1 . 2]" 1
1607 1 62 LYS HA 1 62 LYS HG2 . . 3.820 3.619 3.236 3.764 . 0 0 "[ . 1 . 2]" 1
1608 1 62 LYS HA 1 63 GLY H . . 2.780 2.341 1.971 2.682 . 0 0 "[ . 1 . 2]" 1
1609 1 62 LYS HA 1 64 ASP H . . 4.050 3.950 3.457 4.124 0.074 13 0 "[ . 1 . 2]" 1
1610 1 62 LYS QB 1 63 GLY H . . 4.270 3.786 3.099 4.040 . 0 0 "[ . 1 . 2]" 1
1611 1 62 LYS QB 1 63 GLY HA2 . . 5.030 4.868 4.518 5.282 0.252 3 0 "[ . 1 . 2]" 1
1612 1 62 LYS QB 1 64 ASP H . . 5.500 5.318 4.913 5.576 0.076 11 0 "[ . 1 . 2]" 1
1613 1 62 LYS QE 1 62 LYS HG2 . . 3.810 2.565 1.982 3.051 . 0 0 "[ . 1 . 2]" 1
1614 1 62 LYS HG2 1 63 GLY H . . 4.490 4.485 3.835 4.587 0.097 15 0 "[ . 1 . 2]" 1
1615 1 62 LYS HG2 1 63 GLY HA2 . . 5.500 5.626 4.282 6.181 0.681 8 3 "[ . +-1 * . 2]" 1
1616 1 62 LYS HG3 1 63 GLY HA3 . . 5.480 4.957 4.437 5.454 . 0 0 "[ . 1 . 2]" 1
1617 1 63 GLY H 1 64 ASP H . . 3.340 2.022 1.612 3.023 . 0 0 "[ . 1 . 2]" 1
1618 1 64 ASP H 1 64 ASP HB2 . . 3.070 2.381 2.213 2.936 . 0 0 "[ . 1 . 2]" 1
1619 1 64 ASP H 1 65 LEU H . . 4.710 4.399 3.764 4.595 . 0 0 "[ . 1 . 2]" 1
1620 1 64 ASP H 1 66 VAL QG . . 5.030 5.016 4.913 5.082 0.052 20 0 "[ . 1 . 2]" 1
1621 1 64 ASP HA 1 65 LEU H . . 2.670 2.253 2.098 2.336 . 0 0 "[ . 1 . 2]" 1
1622 1 64 ASP HA 1 65 LEU HB2 . . 5.140 4.733 4.247 4.941 . 0 0 "[ . 1 . 2]" 1
1623 1 64 ASP HA 1 65 LEU HB3 . . 5.180 4.661 4.379 5.249 0.069 10 0 "[ . 1 . 2]" 1
1624 1 64 ASP HB2 1 65 LEU H . . 4.480 4.373 4.041 4.552 0.072 2 0 "[ . 1 . 2]" 1
1625 1 64 ASP HB2 1 66 VAL QG . . 3.810 3.653 3.363 3.856 0.046 3 0 "[ . 1 . 2]" 1
1626 1 64 ASP HB3 1 65 LEU H . . 3.730 3.525 2.945 3.803 0.073 20 0 "[ . 1 . 2]" 1
1627 1 64 ASP HB3 1 66 VAL QG . . 3.420 3.178 2.769 3.472 0.052 14 0 "[ . 1 . 2]" 1
1628 1 65 LEU H 1 65 LEU HB2 . . 3.600 2.753 2.145 3.172 . 0 0 "[ . 1 . 2]" 1
1629 1 65 LEU H 1 65 LEU HB3 . . 3.270 2.449 2.297 3.047 . 0 0 "[ . 1 . 2]" 1
1630 1 65 LEU H 1 65 LEU QD . . 4.080 3.794 3.648 3.879 . 0 0 "[ . 1 . 2]" 1
1631 1 65 LEU H 1 65 LEU HG . . 4.930 4.337 4.111 4.446 . 0 0 "[ . 1 . 2]" 1
1632 1 65 LEU H 1 66 VAL H . . 4.830 4.480 3.820 4.615 . 0 0 "[ . 1 . 2]" 1
1633 1 65 LEU HA 1 65 LEU QD . . 3.270 2.404 2.111 2.971 . 0 0 "[ . 1 . 2]" 1
1634 1 65 LEU HA 1 65 LEU HG . . 3.880 2.862 2.032 3.130 . 0 0 "[ . 1 . 2]" 1
1635 1 65 LEU HA 1 66 VAL H . . 2.820 2.279 2.105 2.370 . 0 0 "[ . 1 . 2]" 1
1636 1 65 LEU HA 1 66 VAL HA . . 5.500 4.487 4.309 4.578 . 0 0 "[ . 1 . 2]" 1
1637 1 65 LEU HA 1 66 VAL QG . . 4.150 3.329 2.969 3.620 . 0 0 "[ . 1 . 2]" 1
1638 1 65 LEU HB2 1 65 LEU QD . . 3.270 2.149 2.071 2.205 . 0 0 "[ . 1 . 2]" 1
1639 1 65 LEU HB2 1 66 VAL H . . 4.720 4.182 3.986 4.463 . 0 0 "[ . 1 . 2]" 1
1640 1 65 LEU HB3 1 65 LEU QD . . 3.210 2.166 2.107 2.341 . 0 0 "[ . 1 . 2]" 1
1641 1 65 LEU HB3 1 66 VAL H . . 5.100 3.993 3.370 4.375 . 0 0 "[ . 1 . 2]" 1
1642 1 65 LEU QD 1 66 VAL H . . 3.960 2.683 1.858 3.341 . 0 0 "[ . 1 . 2]" 1
1643 1 65 LEU HG 1 66 VAL H . . 3.960 2.676 2.023 3.757 . 0 0 "[ . 1 . 2]" 1
1644 1 65 LEU HG 1 66 VAL HA . . 5.500 4.111 3.459 5.790 0.290 20 0 "[ . 1 . 2]" 1
1645 1 66 VAL H 1 66 VAL HB . . 3.310 2.778 2.555 3.382 0.072 17 0 "[ . 1 . 2]" 1
1646 1 66 VAL H 1 66 VAL QG . . 3.530 2.605 1.965 2.895 . 0 0 "[ . 1 . 2]" 1
1647 1 66 VAL H 1 67 THR H . . 5.000 4.404 4.241 4.481 . 0 0 "[ . 1 . 2]" 1
1648 1 66 VAL HA 1 67 THR H . . 2.910 2.235 2.084 2.308 . 0 0 "[ . 1 . 2]" 1
1649 1 66 VAL HA 1 67 THR HB . . 4.650 4.690 4.448 4.733 0.083 12 0 "[ . 1 . 2]" 1
1650 1 66 VAL HA 1 67 THR MG . . 5.500 5.533 5.384 5.589 0.089 15 0 "[ . 1 . 2]" 1
1651 1 66 VAL HB 1 67 THR H . . 5.410 3.835 2.922 4.189 . 0 0 "[ . 1 . 2]" 1
1652 1 66 VAL HB 1 68 PHE QE . . 3.850 3.665 3.097 3.966 0.116 17 0 "[ . 1 . 2]" 1
1653 1 66 VAL HB 1 68 PHE HZ . . 5.150 4.607 3.886 5.100 . 0 0 "[ . 1 . 2]" 1
1654 1 66 VAL QG 1 67 THR H . . 3.610 2.371 2.109 2.758 . 0 0 "[ . 1 . 2]" 1
1655 1 66 VAL QG 1 67 THR HA . . 5.180 3.509 3.308 4.100 . 0 0 "[ . 1 . 2]" 1
1656 1 66 VAL QG 1 67 THR HB . . 4.930 4.544 4.364 4.809 . 0 0 "[ . 1 . 2]" 1
1657 1 66 VAL QG 1 67 THR MG . . 5.500 4.655 4.525 4.913 . 0 0 "[ . 1 . 2]" 1
1658 1 66 VAL QG 1 68 PHE H . . 5.500 3.443 3.007 4.466 . 0 0 "[ . 1 . 2]" 1
1659 1 66 VAL QG 1 68 PHE QD . . 3.990 3.246 2.412 3.612 . 0 0 "[ . 1 . 2]" 1
1660 1 66 VAL QG 1 68 PHE QE . . 4.090 2.726 1.936 2.961 . 0 0 "[ . 1 . 2]" 1
1661 1 67 THR H 1 67 THR HB . . 3.360 2.845 2.629 2.972 . 0 0 "[ . 1 . 2]" 1
1662 1 67 THR H 1 68 PHE H . . 4.700 3.944 3.710 4.397 . 0 0 "[ . 1 . 2]" 1
1663 1 67 THR HA 1 67 THR MG . . 3.440 2.376 2.228 2.492 . 0 0 "[ . 1 . 2]" 1
1664 1 67 THR HA 1 68 PHE H . . 2.780 2.172 2.089 2.294 . 0 0 "[ . 1 . 2]" 1
1665 1 67 THR HA 1 68 PHE HB2 . . 5.110 4.549 4.414 4.731 . 0 0 "[ . 1 . 2]" 1
1666 1 67 THR HA 1 68 PHE QD . . 4.550 4.249 3.842 4.621 0.071 8 0 "[ . 1 . 2]" 1
1667 1 67 THR HB 1 68 PHE H . . 4.670 4.348 3.847 4.486 . 0 0 "[ . 1 . 2]" 1
1668 1 67 THR MG 1 68 PHE H . . 3.660 3.086 2.541 3.383 . 0 0 "[ . 1 . 2]" 1
1669 1 67 THR MG 1 68 PHE HA . . 5.460 4.219 3.944 4.464 . 0 0 "[ . 1 . 2]" 1
1670 1 67 THR MG 1 69 PRO HA . . 4.850 3.915 3.405 4.345 . 0 0 "[ . 1 . 2]" 1
1671 1 67 THR MG 1 69 PRO HD3 . . 5.500 5.122 4.524 5.567 0.067 5 0 "[ . 1 . 2]" 1
1672 1 67 THR MG 1 89 PHE QE . . 3.520 2.803 2.426 3.274 . 0 0 "[ . 1 . 2]" 1
1673 1 67 THR MG 1 89 PHE HZ . . 3.090 2.496 2.085 2.851 . 0 0 "[ . 1 . 2]" 1
1674 1 68 PHE H 1 68 PHE HB2 . . 3.510 2.426 2.291 2.597 . 0 0 "[ . 1 . 2]" 1
1675 1 68 PHE H 1 68 PHE HB3 . . 4.090 3.614 3.546 3.748 . 0 0 "[ . 1 . 2]" 1
1676 1 68 PHE H 1 68 PHE QD . . 3.530 2.772 2.330 3.423 . 0 0 "[ . 1 . 2]" 1
1677 1 68 PHE H 1 68 PHE QE . . 5.150 4.598 4.205 5.159 0.009 12 0 "[ . 1 . 2]" 1
1678 1 68 PHE HA 1 68 PHE QD . . 3.420 2.651 2.247 3.037 . 0 0 "[ . 1 . 2]" 1
1679 1 68 PHE HA 1 69 PRO QB . . 4.650 4.540 4.374 4.713 0.063 7 0 "[ . 1 . 2]" 1
1680 1 68 PHE HA 1 69 PRO HD2 . . 3.280 2.641 2.291 2.839 . 0 0 "[ . 1 . 2]" 1
1681 1 68 PHE HA 1 69 PRO HD3 . . 3.280 2.397 2.192 2.597 . 0 0 "[ . 1 . 2]" 1
1682 1 68 PHE HA 1 69 PRO HG2 . . 5.500 4.743 4.413 4.894 . 0 0 "[ . 1 . 2]" 1
1683 1 68 PHE HA 1 69 PRO HG3 . . 4.840 4.684 4.421 4.870 0.030 13 0 "[ . 1 . 2]" 1
1684 1 68 PHE HA 1 72 LEU QD . . 4.560 3.615 3.254 4.011 . 0 0 "[ . 1 . 2]" 1
1685 1 68 PHE HB2 1 69 PRO HD2 . . 5.360 3.816 3.668 4.075 . 0 0 "[ . 1 . 2]" 1
1686 1 68 PHE HB2 1 72 LEU QD . . 5.370 4.471 3.879 5.176 . 0 0 "[ . 1 . 2]" 1
1687 1 68 PHE HB3 1 69 PRO HD2 . . 4.570 2.294 2.130 2.577 . 0 0 "[ . 1 . 2]" 1
1688 1 68 PHE HB3 1 72 LEU QD . . 3.880 3.121 2.341 3.843 . 0 0 "[ . 1 . 2]" 1
1689 1 68 PHE QD 1 69 PRO HD2 . . 4.240 3.132 2.658 3.522 . 0 0 "[ . 1 . 2]" 1
1690 1 68 PHE QD 1 69 PRO HD3 . . 5.460 3.750 3.263 4.187 . 0 0 "[ . 1 . 2]" 1
1691 1 68 PHE QD 1 72 LEU QD . . 3.020 2.202 1.920 2.718 . 0 0 "[ . 1 . 2]" 1
1692 1 68 PHE QE 1 72 LEU QD . . 4.890 3.238 2.845 3.785 . 0 0 "[ . 1 . 2]" 1
1693 1 68 PHE QE 1 76 TRP HE1 . . 3.780 3.589 3.173 3.860 0.080 13 0 "[ . 1 . 2]" 1
1694 1 68 PHE HZ 1 76 TRP HE1 . . 4.800 3.119 2.508 3.714 . 0 0 "[ . 1 . 2]" 1
1695 1 68 PHE HZ 1 76 TRP HZ2 . . 2.970 2.607 2.050 3.041 0.071 11 0 "[ . 1 . 2]" 1
1696 1 69 PRO HA 1 70 LYS H . . 3.000 2.480 2.232 2.839 . 0 0 "[ . 1 . 2]" 1
1697 1 69 PRO HA 1 70 LYS HA . . 4.960 4.486 4.381 4.632 . 0 0 "[ . 1 . 2]" 1
1698 1 69 PRO HA 1 70 LYS HB2 . . 5.260 4.570 4.398 4.824 . 0 0 "[ . 1 . 2]" 1
1699 1 69 PRO QB 1 70 LYS H . . 4.400 2.111 1.911 2.169 . 0 0 "[ . 1 . 2]" 1
1700 1 69 PRO HD2 1 72 LEU HB2 . . 4.420 2.802 2.385 3.322 . 0 0 "[ . 1 . 2]" 1
1701 1 69 PRO HD2 1 72 LEU HB3 . . 4.490 2.979 2.544 3.657 . 0 0 "[ . 1 . 2]" 1
1702 1 69 PRO HD2 1 72 LEU QD . . 3.750 2.480 2.107 2.759 . 0 0 "[ . 1 . 2]" 1
1703 1 69 PRO HD3 1 72 LEU HB2 . . 5.500 3.959 3.320 4.423 . 0 0 "[ . 1 . 2]" 1
1704 1 69 PRO HD3 1 72 LEU QD . . 4.670 3.057 2.583 3.358 . 0 0 "[ . 1 . 2]" 1
1705 1 69 PRO HG2 1 71 GLY HA2 . . 5.270 5.002 4.519 5.488 0.218 11 0 "[ . 1 . 2]" 1
1706 1 69 PRO HG2 1 72 LEU H . . 5.440 4.278 3.567 4.748 . 0 0 "[ . 1 . 2]" 1
1707 1 69 PRO HG2 1 72 LEU HB2 . . 4.140 2.441 2.192 2.642 . 0 0 "[ . 1 . 2]" 1
1708 1 69 PRO HG2 1 72 LEU QD . . 5.240 3.410 2.981 3.667 . 0 0 "[ . 1 . 2]" 1
1709 1 69 PRO HG3 1 70 LYS H . . 4.490 4.571 4.528 4.582 0.092 17 0 "[ . 1 . 2]" 1
1710 1 69 PRO HG3 1 72 LEU HB2 . . 4.570 3.087 2.425 3.674 . 0 0 "[ . 1 . 2]" 1
1711 1 69 PRO HG3 1 72 LEU QD . . 4.990 3.206 2.838 3.696 . 0 0 "[ . 1 . 2]" 1
1712 1 70 LYS H 1 70 LYS HB2 . . 3.310 2.864 2.680 3.229 . 0 0 "[ . 1 . 2]" 1
1713 1 70 LYS H 1 70 LYS HB3 . . 3.320 2.455 2.354 2.544 . 0 0 "[ . 1 . 2]" 1
1714 1 70 LYS H 1 70 LYS HD2 . . 5.400 5.145 4.932 5.429 0.029 5 0 "[ . 1 . 2]" 1
1715 1 70 LYS H 1 70 LYS HD3 . . 5.460 5.008 4.788 5.195 . 0 0 "[ . 1 . 2]" 1
1716 1 70 LYS H 1 70 LYS HG2 . . 4.770 4.426 4.301 4.516 . 0 0 "[ . 1 . 2]" 1
1717 1 70 LYS H 1 70 LYS HG3 . . 5.120 4.606 4.472 4.708 . 0 0 "[ . 1 . 2]" 1
1718 1 70 LYS H 1 71 GLY H . . 5.450 4.032 3.606 4.328 . 0 0 "[ . 1 . 2]" 1
1719 1 70 LYS HA 1 70 LYS HD2 . . 4.790 4.125 3.994 4.200 . 0 0 "[ . 1 . 2]" 1
1720 1 70 LYS HA 1 70 LYS HG2 . . 3.850 3.361 3.243 3.468 . 0 0 "[ . 1 . 2]" 1
1721 1 70 LYS HA 1 70 LYS HG3 . . 3.550 2.559 2.428 2.711 . 0 0 "[ . 1 . 2]" 1
1722 1 70 LYS HA 1 71 GLY H . . 3.000 2.276 2.214 2.483 . 0 0 "[ . 1 . 2]" 1
1723 1 70 LYS HA 1 72 LEU H . . 5.140 5.035 4.670 5.193 0.053 15 0 "[ . 1 . 2]" 1
1724 1 70 LYS HB2 1 70 LYS HD3 . . 3.560 2.867 2.601 2.996 . 0 0 "[ . 1 . 2]" 1
1725 1 70 LYS HB2 1 70 LYS QE . . 4.970 3.933 3.842 4.046 . 0 0 "[ . 1 . 2]" 1
1726 1 70 LYS HB3 1 70 LYS HD2 . . 3.760 3.213 3.052 3.474 . 0 0 "[ . 1 . 2]" 1
1727 1 70 LYS HB3 1 71 GLY H . . 5.360 4.561 4.332 4.618 . 0 0 "[ . 1 . 2]" 1
1728 1 70 LYS QE 1 70 LYS HG2 . . 3.530 2.585 2.218 2.913 . 0 0 "[ . 1 . 2]" 1
1729 1 70 LYS QE 1 70 LYS HG3 . . 3.650 2.340 2.192 2.498 . 0 0 "[ . 1 . 2]" 1
1730 1 70 LYS HG2 1 71 GLY H . . 4.730 4.360 3.604 4.735 0.005 20 0 "[ . 1 . 2]" 1
1731 1 70 LYS HG2 1 71 GLY HA2 . . 4.990 4.934 4.504 5.070 0.080 13 0 "[ . 1 . 2]" 1
1732 1 70 LYS HG2 1 71 GLY HA3 . . 4.840 4.402 3.788 4.789 . 0 0 "[ . 1 . 2]" 1
1733 1 70 LYS HG3 1 71 GLY H . . 4.300 4.009 3.253 4.352 0.052 3 0 "[ . 1 . 2]" 1
1734 1 70 LYS HG3 1 71 GLY HA2 . . 5.280 5.073 4.685 5.323 0.043 9 0 "[ . 1 . 2]" 1
1735 1 70 LYS HG3 1 71 GLY HA3 . . 5.500 5.102 4.610 5.545 0.045 9 0 "[ . 1 . 2]" 1
1736 1 71 GLY H 1 72 LEU H . . 3.770 2.827 2.516 3.049 . 0 0 "[ . 1 . 2]" 1
1737 1 72 LEU H 1 72 LEU HB2 . . 3.430 3.409 3.193 3.480 0.050 14 0 "[ . 1 . 2]" 1
1738 1 72 LEU H 1 72 LEU HB3 . . 3.380 2.885 2.558 3.060 . 0 0 "[ . 1 . 2]" 1
1739 1 72 LEU H 1 72 LEU QD . . 5.170 4.025 3.863 4.122 . 0 0 "[ . 1 . 2]" 1
1740 1 72 LEU H 1 72 LEU HG . . 5.110 4.552 4.325 4.700 . 0 0 "[ . 1 . 2]" 1
1741 1 72 LEU H 1 73 ARG H . . 5.430 4.212 3.746 4.397 . 0 0 "[ . 1 . 2]" 1
1742 1 72 LEU HA 1 72 LEU QD . . 3.290 2.497 2.034 3.073 . 0 0 "[ . 1 . 2]" 1
1743 1 72 LEU HA 1 72 LEU HG . . 4.160 2.922 2.275 3.401 . 0 0 "[ . 1 . 2]" 1
1744 1 72 LEU HA 1 73 ARG H . . 2.890 2.271 2.148 2.419 . 0 0 "[ . 1 . 2]" 1
1745 1 72 LEU HA 1 73 ARG HA . . 5.250 4.514 4.426 4.575 . 0 0 "[ . 1 . 2]" 1
1746 1 72 LEU HB2 1 73 ARG H . . 5.320 4.170 3.830 4.559 . 0 0 "[ . 1 . 2]" 1
1747 1 72 LEU HB3 1 73 ARG H . . 5.330 4.135 3.761 4.521 . 0 0 "[ . 1 . 2]" 1
1748 1 72 LEU QD 1 73 ARG H . . 3.530 2.500 1.804 3.423 . 0 0 "[ . 1 . 2]" 1
1749 1 72 LEU QD 1 74 CYS H . . 5.500 3.906 2.573 4.778 . 0 0 "[ . 1 . 2]" 1
1750 1 72 LEU QD 1 74 CYS HA . . 5.370 4.261 3.689 4.726 . 0 0 "[ . 1 . 2]" 1
1751 1 72 LEU QD 1 74 CYS QB . . 4.240 2.696 1.894 3.515 . 0 0 "[ . 1 . 2]" 1
1752 1 72 LEU HG 1 73 ARG H . . 4.040 2.738 2.269 3.858 . 0 0 "[ . 1 . 2]" 1
1753 1 72 LEU HG 1 74 CYS QB . . 4.350 3.537 2.887 4.034 . 0 0 "[ . 1 . 2]" 1
1754 1 73 ARG H 1 73 ARG QB . . 3.590 2.801 2.264 3.282 . 0 0 "[ . 1 . 2]" 1
1755 1 73 ARG H 1 74 CYS H . . 5.270 4.273 3.827 4.582 . 0 0 "[ . 1 . 2]" 1
1756 1 73 ARG HA 1 73 ARG HG2 . . 4.110 3.539 2.407 4.249 0.139 12 0 "[ . 1 . 2]" 1
1757 1 73 ARG HA 1 74 CYS H . . 2.980 2.257 2.162 2.338 . 0 0 "[ . 1 . 2]" 1
1758 1 73 ARG QB 1 73 ARG QD . . 3.310 2.265 2.059 2.703 . 0 0 "[ . 1 . 2]" 1
1759 1 73 ARG QB 1 74 CYS H . . 4.420 3.553 2.942 4.053 . 0 0 "[ . 1 . 2]" 1
1760 1 74 CYS HA 1 75 ARG H . . 3.080 2.498 2.252 2.746 . 0 0 "[ . 1 . 2]" 1
1761 1 74 CYS HA 1 75 ARG QB . . 4.730 4.306 4.005 4.579 . 0 0 "[ . 1 . 2]" 1
1762 1 74 CYS QB 1 75 ARG H . . 3.180 2.238 2.008 2.440 . 0 0 "[ . 1 . 2]" 1
1763 1 74 CYS QB 1 75 ARG QB . . 4.300 3.987 3.732 4.105 . 0 0 "[ . 1 . 2]" 1
1764 1 74 CYS QB 1 75 ARG HE . . 4.740 4.530 3.891 4.678 . 0 0 "[ . 1 . 2]" 1
1765 1 75 ARG H 1 75 ARG QB . . 3.530 2.182 1.998 2.390 . 0 0 "[ . 1 . 2]" 1
1766 1 75 ARG H 1 75 ARG HG2 . . 5.470 4.443 2.711 4.736 . 0 0 "[ . 1 . 2]" 1
1767 1 75 ARG H 1 75 ARG HG3 . . 4.560 4.172 3.865 4.411 . 0 0 "[ . 1 . 2]" 1
1768 1 75 ARG H 1 76 TRP H . . 5.200 4.552 4.452 4.628 . 0 0 "[ . 1 . 2]" 1
1769 1 75 ARG HA 1 75 ARG QD . . 4.330 3.239 2.141 4.223 . 0 0 "[ . 1 . 2]" 1
1770 1 75 ARG HA 1 75 ARG HG2 . . 4.120 3.419 3.052 3.626 . 0 0 "[ . 1 . 2]" 1
1771 1 75 ARG HA 1 75 ARG HG3 . . 3.590 2.253 2.056 3.477 . 0 0 "[ . 1 . 2]" 1
1772 1 75 ARG HA 1 76 TRP H . . 2.830 2.383 2.195 2.659 . 0 0 "[ . 1 . 2]" 1
1773 1 75 ARG HA 1 76 TRP HD1 . . 4.570 4.247 3.921 4.669 0.099 15 0 "[ . 1 . 2]" 1
1774 1 75 ARG QB 1 75 ARG QD . . 3.170 2.493 2.097 2.871 . 0 0 "[ . 1 . 2]" 1
1775 1 75 ARG QB 1 76 TRP H . . 3.180 2.606 2.231 3.037 . 0 0 "[ . 1 . 2]" 1
1776 1 75 ARG QD 1 76 TRP H . . 4.880 4.410 4.088 4.571 . 0 0 "[ . 1 . 2]" 1
1777 1 75 ARG HG2 1 76 TRP H . . 4.300 3.615 2.813 4.379 0.079 18 0 "[ . 1 . 2]" 1
1778 1 75 ARG HG3 1 76 TRP H . . 3.870 2.963 2.322 3.380 . 0 0 "[ . 1 . 2]" 1
1779 1 76 TRP H 1 76 TRP HB2 . . 3.450 2.770 2.545 3.060 . 0 0 "[ . 1 . 2]" 1
1780 1 76 TRP H 1 76 TRP HB3 . . 3.830 3.613 3.478 3.824 . 0 0 "[ . 1 . 2]" 1
1781 1 76 TRP H 1 76 TRP HD1 . . 4.680 4.077 3.526 4.607 . 0 0 "[ . 1 . 2]" 1
1782 1 76 TRP H 1 77 LYS H . . 4.480 3.894 3.512 4.328 . 0 0 "[ . 1 . 2]" 1
1783 1 76 TRP HA 1 76 TRP HD1 . . 3.930 3.150 3.034 3.399 . 0 0 "[ . 1 . 2]" 1
1784 1 76 TRP HA 1 77 LYS H . . 2.760 2.254 2.132 2.401 . 0 0 "[ . 1 . 2]" 1
1785 1 76 TRP HA 1 77 LYS HB2 . . 5.120 4.722 4.283 5.084 . 0 0 "[ . 1 . 2]" 1
1786 1 76 TRP HB2 1 76 TRP HD1 . . 3.810 2.901 2.788 3.285 . 0 0 "[ . 1 . 2]" 1
1787 1 76 TRP HB2 1 76 TRP HE3 . . 4.170 3.974 3.592 4.214 0.044 19 0 "[ . 1 . 2]" 1
1788 1 76 TRP HB3 1 76 TRP HE3 . . 3.440 2.516 2.432 2.723 . 0 0 "[ . 1 . 2]" 1
1789 1 76 TRP HB3 1 76 TRP HZ3 . . 4.990 4.927 4.822 5.047 0.057 18 0 "[ . 1 . 2]" 1
1790 1 76 TRP HB3 1 77 LYS H . . 4.160 3.877 3.238 4.224 0.064 11 0 "[ . 1 . 2]" 1
1791 1 76 TRP HB3 1 78 VAL MG2 . . 4.330 3.323 2.599 3.854 . 0 0 "[ . 1 . 2]" 1
1792 1 76 TRP HE3 1 77 LYS H . . 5.500 5.000 4.388 5.543 0.043 1 0 "[ . 1 . 2]" 1
1793 1 76 TRP HE3 1 78 VAL MG2 . . 3.320 2.730 2.202 3.370 0.050 17 0 "[ . 1 . 2]" 1
1794 1 76 TRP HZ3 1 82 VAL QG . . 4.460 2.514 2.123 3.240 . 0 0 "[ . 1 . 2]" 1
1795 1 77 LYS H 1 77 LYS HB2 . . 3.610 2.839 2.408 3.132 . 0 0 "[ . 1 . 2]" 1
1796 1 77 LYS H 1 77 LYS HB3 . . 3.370 2.574 2.254 3.028 . 0 0 "[ . 1 . 2]" 1
1797 1 77 LYS H 1 77 LYS HG2 . . 5.240 4.499 4.273 4.772 . 0 0 "[ . 1 . 2]" 1
1798 1 77 LYS H 1 78 VAL MG2 . . 5.500 4.587 4.309 4.918 . 0 0 "[ . 1 . 2]" 1
1799 1 77 LYS HA 1 77 LYS HG2 . . 3.750 3.412 2.624 3.815 0.065 12 0 "[ . 1 . 2]" 1
1800 1 77 LYS HA 1 77 LYS HG3 . . 4.120 2.591 2.259 3.672 . 0 0 "[ . 1 . 2]" 1
1801 1 77 LYS HA 1 78 VAL H . . 2.930 2.247 2.128 2.380 . 0 0 "[ . 1 . 2]" 1
1802 1 77 LYS HA 1 78 VAL HA . . 5.020 4.499 4.436 4.553 . 0 0 "[ . 1 . 2]" 1
1803 1 77 LYS HA 1 79 LEU MD2 . . 4.850 4.643 3.958 4.938 0.088 2 0 "[ . 1 . 2]" 1
1804 1 77 LYS HB2 1 78 VAL H . . 4.800 4.531 4.380 4.689 . 0 0 "[ . 1 . 2]" 1
1805 1 77 LYS HB2 1 79 LEU MD2 . . 5.380 4.342 3.630 4.659 . 0 0 "[ . 1 . 2]" 1
1806 1 77 LYS HB3 1 77 LYS HD3 . . 3.760 3.296 2.419 3.992 0.232 12 0 "[ . 1 . 2]" 1
1807 1 77 LYS HB3 1 78 VAL H . . 4.710 4.383 4.036 4.566 . 0 0 "[ . 1 . 2]" 1
1808 1 77 LYS HB3 1 79 LEU H . . 5.310 4.951 4.014 5.391 0.081 7 0 "[ . 1 . 2]" 1
1809 1 77 LYS HB3 1 79 LEU MD2 . . 4.030 3.613 2.560 4.122 0.092 12 0 "[ . 1 . 2]" 1
1810 1 77 LYS HB3 1 79 LEU HG . . 4.070 3.541 2.330 4.120 0.050 6 0 "[ . 1 . 2]" 1
1811 1 77 LYS HD3 1 79 LEU MD2 . . 4.200 3.092 2.150 4.255 0.055 6 0 "[ . 1 . 2]" 1
1812 1 77 LYS QE 1 77 LYS HG2 . . 3.910 2.573 1.935 3.278 . 0 0 "[ . 1 . 2]" 1
1813 1 77 LYS QE 1 77 LYS HG3 . . 3.810 2.601 2.026 3.521 . 0 0 "[ . 1 . 2]" 1
1814 1 77 LYS QE 1 79 LEU HA . . 5.360 4.513 2.983 5.456 0.096 6 0 "[ . 1 . 2]" 1
1815 1 77 LYS QE 1 79 LEU MD2 . . 3.530 2.500 1.913 3.624 0.094 14 0 "[ . 1 . 2]" 1
1816 1 77 LYS HG2 1 78 VAL H . . 4.950 4.240 3.324 4.990 0.040 2 0 "[ . 1 . 2]" 1
1817 1 77 LYS HG2 1 79 LEU MD2 . . 3.760 2.234 1.952 3.849 0.089 9 0 "[ . 1 . 2]" 1
1818 1 77 LYS HG3 1 78 VAL H . . 5.130 3.426 2.640 5.117 . 0 0 "[ . 1 . 2]" 1
1819 1 77 LYS HG3 1 79 LEU MD2 . . 3.240 2.800 1.983 3.338 0.098 1 0 "[ . 1 . 2]" 1
1820 1 78 VAL H 1 78 VAL HB . . 3.160 2.719 2.592 3.058 . 0 0 "[ . 1 . 2]" 1
1821 1 78 VAL H 1 78 VAL MG1 . . 4.440 3.798 3.716 3.966 . 0 0 "[ . 1 . 2]" 1
1822 1 78 VAL H 1 78 VAL MG2 . . 3.470 2.181 1.905 2.557 . 0 0 "[ . 1 . 2]" 1
1823 1 78 VAL H 1 79 LEU H . . 4.910 4.158 3.725 4.381 . 0 0 "[ . 1 . 2]" 1
1824 1 78 VAL H 1 79 LEU MD2 . . 5.430 4.614 3.491 5.316 . 0 0 "[ . 1 . 2]" 1
1825 1 78 VAL H 1 79 LEU HG . . 5.130 5.014 4.537 5.225 0.095 6 0 "[ . 1 . 2]" 1
1826 1 78 VAL H 1 80 GLU H . . 5.500 5.561 5.400 5.587 0.087 13 0 "[ . 1 . 2]" 1
1827 1 78 VAL HA 1 78 VAL MG1 . . 2.990 2.222 2.078 2.310 . 0 0 "[ . 1 . 2]" 1
1828 1 78 VAL HA 1 78 VAL MG2 . . 3.310 2.637 2.527 2.763 . 0 0 "[ . 1 . 2]" 1
1829 1 78 VAL HA 1 79 LEU H . . 2.890 2.187 2.083 2.464 . 0 0 "[ . 1 . 2]" 1
1830 1 78 VAL HA 1 79 LEU HA . . 4.680 4.466 4.430 4.644 . 0 0 "[ . 1 . 2]" 1
1831 1 78 VAL HA 1 80 GLU H . . 3.920 3.409 3.233 3.532 . 0 0 "[ . 1 . 2]" 1
1832 1 78 VAL HB 1 79 LEU H . . 5.160 4.274 3.999 4.413 . 0 0 "[ . 1 . 2]" 1
1833 1 78 VAL HB 1 80 GLU H . . 5.050 4.443 4.185 4.678 . 0 0 "[ . 1 . 2]" 1
1834 1 78 VAL HB 1 80 GLU HA . . 5.420 5.501 5.469 5.513 0.093 16 0 "[ . 1 . 2]" 1
1835 1 78 VAL HB 1 82 VAL QG . . 5.500 4.731 4.313 5.266 . 0 0 "[ . 1 . 2]" 1
1836 1 78 VAL MG1 1 80 GLU H . . 3.600 2.723 2.255 3.215 . 0 0 "[ . 1 . 2]" 1
1837 1 78 VAL MG1 1 80 GLU HA . . 5.310 3.848 3.471 4.352 . 0 0 "[ . 1 . 2]" 1
1838 1 78 VAL MG1 1 81 PRO HA . . 3.420 2.594 2.274 3.047 . 0 0 "[ . 1 . 2]" 1
1839 1 78 VAL MG1 1 82 VAL H . . 3.610 2.567 2.066 3.434 . 0 0 "[ . 1 . 2]" 1
1840 1 78 VAL MG1 1 82 VAL HA . . 5.220 4.483 4.059 5.024 . 0 0 "[ . 1 . 2]" 1
1841 1 78 VAL MG1 1 82 VAL HB . . 3.760 2.923 2.448 3.442 . 0 0 "[ . 1 . 2]" 1
1842 1 78 VAL MG1 1 82 VAL QG . . 4.280 2.342 1.960 2.921 . 0 0 "[ . 1 . 2]" 1
1843 1 78 VAL MG2 1 82 VAL H . . 5.290 4.522 3.989 5.245 . 0 0 "[ . 1 . 2]" 1
1844 1 79 LEU H 1 79 LEU HB2 . . 3.410 2.478 2.305 2.762 . 0 0 "[ . 1 . 2]" 1
1845 1 79 LEU H 1 79 LEU HB3 . . 3.950 3.654 3.547 3.745 . 0 0 "[ . 1 . 2]" 1
1846 1 79 LEU H 1 79 LEU MD1 . . 4.130 3.814 3.429 4.102 . 0 0 "[ . 1 . 2]" 1
1847 1 79 LEU H 1 79 LEU MD2 . . 4.640 3.626 2.994 3.996 . 0 0 "[ . 1 . 2]" 1
1848 1 79 LEU H 1 79 LEU HG . . 3.820 2.681 2.167 3.043 . 0 0 "[ . 1 . 2]" 1
1849 1 79 LEU H 1 80 GLU H . . 2.910 2.293 1.875 2.826 . 0 0 "[ . 1 . 2]" 1
1850 1 79 LEU HA 1 79 LEU HB3 . . 2.970 2.489 2.327 2.587 . 0 0 "[ . 1 . 2]" 1
1851 1 79 LEU HA 1 79 LEU MD2 . . 2.980 2.100 2.017 2.331 . 0 0 "[ . 1 . 2]" 1
1852 1 79 LEU HA 1 79 LEU HG . . 4.250 3.088 2.871 3.504 . 0 0 "[ . 1 . 2]" 1
1853 1 79 LEU HB2 1 79 LEU MD2 . . 3.530 3.250 3.189 3.284 . 0 0 "[ . 1 . 2]" 1
1854 1 79 LEU HB2 1 79 LEU HG . . 2.940 2.496 2.379 2.665 . 0 0 "[ . 1 . 2]" 1
1855 1 79 LEU HB2 1 80 GLU H . . 3.390 3.128 2.883 3.432 0.042 18 0 "[ . 1 . 2]" 1
1856 1 79 LEU HB2 1 80 GLU HG3 . . 5.500 4.553 2.822 5.586 0.086 1 0 "[ . 1 . 2]" 1
1857 1 79 LEU HB3 1 79 LEU MD2 . . 3.320 2.418 2.286 2.628 . 0 0 "[ . 1 . 2]" 1
1858 1 79 LEU HB3 1 80 GLU H . . 4.120 4.009 3.779 4.173 0.053 7 0 "[ . 1 . 2]" 1
1859 1 79 LEU MD2 1 80 GLU H . . 5.090 4.791 4.525 4.935 . 0 0 "[ . 1 . 2]" 1
1860 1 79 LEU HG 1 80 GLU H . . 5.000 4.593 4.261 4.885 . 0 0 "[ . 1 . 2]" 1
1861 1 80 GLU H 1 80 GLU HB2 . . 4.100 2.838 2.486 3.000 . 0 0 "[ . 1 . 2]" 1
1862 1 80 GLU H 1 80 GLU HB3 . . 3.710 3.803 3.565 3.983 0.273 14 0 "[ . 1 . 2]" 1
1863 1 80 GLU H 1 80 GLU HG2 . . 4.780 4.155 3.604 4.946 0.166 20 0 "[ . 1 . 2]" 1
1864 1 80 GLU H 1 81 PRO HA . . 5.250 4.709 4.473 5.050 . 0 0 "[ . 1 . 2]" 1
1865 1 80 GLU H 1 81 PRO QD . . 5.090 4.331 4.247 4.425 . 0 0 "[ . 1 . 2]" 1
1866 1 80 GLU HA 1 80 GLU HG2 . . 3.550 2.774 2.185 3.112 . 0 0 "[ . 1 . 2]" 1
1867 1 80 GLU HA 1 80 GLU HG3 . . 3.760 3.387 2.377 3.840 0.080 5 0 "[ . 1 . 2]" 1
1868 1 80 GLU HA 1 81 PRO QD . . 2.820 2.223 2.142 2.358 . 0 0 "[ . 1 . 2]" 1
1869 1 80 GLU HB2 1 81 PRO QD . . 3.830 3.631 3.419 3.763 . 0 0 "[ . 1 . 2]" 1
1870 1 80 GLU HB3 1 81 PRO QD . . 4.370 2.232 2.001 2.376 . 0 0 "[ . 1 . 2]" 1
1871 1 80 GLU HG2 1 81 PRO QD . . 5.290 3.593 2.002 4.279 . 0 0 "[ . 1 . 2]" 1
1872 1 80 GLU HG3 1 81 PRO QD . . 5.370 4.079 3.170 4.788 . 0 0 "[ . 1 . 2]" 1
1873 1 81 PRO HA 1 82 VAL H . . 2.700 2.187 2.090 2.334 . 0 0 "[ . 1 . 2]" 1
1874 1 81 PRO HA 1 82 VAL HA . . 4.590 4.428 4.343 4.527 . 0 0 "[ . 1 . 2]" 1
1875 1 81 PRO HA 1 82 VAL HB . . 4.920 4.357 3.876 4.750 . 0 0 "[ . 1 . 2]" 1
1876 1 81 PRO HA 1 82 VAL QG . . 4.390 3.713 3.301 3.992 . 0 0 "[ . 1 . 2]" 1
1877 1 81 PRO HB2 1 82 VAL H . . 4.440 3.929 3.270 4.224 . 0 0 "[ . 1 . 2]" 1
1878 1 81 PRO HB2 1 82 VAL HA . . 5.190 4.956 4.576 5.206 0.016 4 0 "[ . 1 . 2]" 1
1879 1 81 PRO HB3 1 82 VAL H . . 4.550 4.220 3.844 4.493 . 0 0 "[ . 1 . 2]" 1
1880 1 81 PRO HG2 1 82 VAL H . . 5.460 5.025 4.799 5.145 . 0 0 "[ . 1 . 2]" 1
1881 1 82 VAL H 1 82 VAL HB . . 3.260 2.589 2.272 3.179 . 0 0 "[ . 1 . 2]" 1
1882 1 82 VAL H 1 82 VAL QG . . 3.390 2.129 1.876 2.329 . 0 0 "[ . 1 . 2]" 1
1883 1 82 VAL H 1 83 ARG H . . 4.880 4.505 3.916 4.659 . 0 0 "[ . 1 . 2]" 1
1884 1 82 VAL HA 1 83 ARG H . . 2.680 2.206 1.995 2.357 . 0 0 "[ . 1 . 2]" 1
1885 1 82 VAL HB 1 83 ARG H . . 4.340 4.169 3.974 4.376 0.036 6 0 "[ . 1 . 2]" 1
1886 1 82 VAL QG 1 83 ARG H . . 3.510 2.486 1.960 3.140 . 0 0 "[ . 1 . 2]" 1
1887 1 82 VAL QG 1 83 ARG HA . . 4.330 3.437 2.861 3.965 . 0 0 "[ . 1 . 2]" 1
1888 1 82 VAL QG 1 84 LYS H . . 4.200 3.327 2.278 3.986 . 0 0 "[ . 1 . 2]" 1
1889 1 82 VAL QG 1 84 LYS QB . . 3.970 2.659 2.209 3.131 . 0 0 "[ . 1 . 2]" 1
1890 1 83 ARG H 1 83 ARG HB2 . . 4.000 2.667 2.302 2.931 . 0 0 "[ . 1 . 2]" 1
1891 1 83 ARG H 1 83 ARG HB3 . . 3.580 3.197 2.763 3.632 0.052 15 0 "[ . 1 . 2]" 1
1892 1 83 ARG H 1 83 ARG HG2 . . 5.090 4.734 4.467 4.992 . 0 0 "[ . 1 . 2]" 1
1893 1 83 ARG H 1 84 LYS H . . 5.030 3.951 2.777 4.374 . 0 0 "[ . 1 . 2]" 1
1894 1 83 ARG HA 1 83 ARG HD3 . . 5.210 4.487 4.312 4.681 . 0 0 "[ . 1 . 2]" 1
1895 1 83 ARG HA 1 83 ARG HG2 . . 3.870 2.701 2.348 3.142 . 0 0 "[ . 1 . 2]" 1
1896 1 83 ARG HA 1 83 ARG HG3 . . 3.350 2.375 2.136 2.578 . 0 0 "[ . 1 . 2]" 1
1897 1 83 ARG HA 1 84 LYS H . . 2.860 2.279 2.099 2.821 . 0 0 "[ . 1 . 2]" 1
1898 1 83 ARG HA 1 84 LYS HA . . 5.330 4.461 4.328 4.741 . 0 0 "[ . 1 . 2]" 1
1899 1 83 ARG HB2 1 83 ARG HD2 . . 3.190 2.440 2.262 2.758 . 0 0 "[ . 1 . 2]" 1
1900 1 83 ARG HB2 1 83 ARG HD3 . . 4.160 3.001 2.272 3.661 . 0 0 "[ . 1 . 2]" 1
1901 1 83 ARG HB2 1 84 LYS H . . 5.010 4.578 4.339 4.733 . 0 0 "[ . 1 . 2]" 1
1902 1 83 ARG HB3 1 83 ARG HD2 . . 4.150 3.037 2.321 3.598 . 0 0 "[ . 1 . 2]" 1
1903 1 83 ARG HB3 1 83 ARG HD3 . . 4.140 2.679 2.232 3.278 . 0 0 "[ . 1 . 2]" 1
1904 1 83 ARG HB3 1 84 LYS H . . 4.450 4.005 3.254 4.483 0.033 2 0 "[ . 1 . 2]" 1
1905 1 83 ARG HG2 1 84 LYS H . . 5.110 3.905 3.002 4.767 . 0 0 "[ . 1 . 2]" 1
1906 1 83 ARG HG3 1 84 LYS H . . 5.190 4.299 3.649 5.250 0.060 12 0 "[ . 1 . 2]" 1
1907 1 84 LYS H 1 84 LYS QB . . 3.920 2.907 2.171 3.322 . 0 0 "[ . 1 . 2]" 1
1908 1 84 LYS H 1 84 LYS HD2 . . 3.570 2.542 2.029 3.649 0.079 1 0 "[ . 1 . 2]" 1
1909 1 84 LYS H 1 84 LYS HD3 . . 4.590 3.366 2.759 4.126 . 0 0 "[ . 1 . 2]" 1
1910 1 84 LYS H 1 85 HIS H . . 5.240 4.366 4.150 4.703 . 0 0 "[ . 1 . 2]" 1
1911 1 84 LYS HA 1 84 LYS HD3 . . 5.270 4.523 4.000 5.149 . 0 0 "[ . 1 . 2]" 1
1912 1 84 LYS HA 1 85 HIS H . . 2.950 2.229 2.018 2.553 . 0 0 "[ . 1 . 2]" 1
1913 1 84 LYS HA 1 85 HIS HB2 . . 4.700 4.315 4.121 4.486 . 0 0 "[ . 1 . 2]" 1
1914 1 84 LYS QB 1 85 HIS H . . 3.600 2.790 2.289 3.256 . 0 0 "[ . 1 . 2]" 1
1915 1 84 LYS HD3 1 85 HIS H . . 4.780 4.712 4.087 4.868 0.088 8 0 "[ . 1 . 2]" 1
1916 1 84 LYS HD3 1 86 TYR HB2 . . 4.970 4.761 4.094 5.042 0.072 19 0 "[ . 1 . 2]" 1
1917 1 84 LYS HD3 1 86 TYR HB3 . . 4.340 3.067 2.527 3.333 . 0 0 "[ . 1 . 2]" 1
1918 1 84 LYS HD3 1 86 TYR QD . . 4.910 3.391 2.661 4.034 . 0 0 "[ . 1 . 2]" 1
1919 1 85 HIS H 1 85 HIS HB2 . . 3.290 2.300 2.138 2.484 . 0 0 "[ . 1 . 2]" 1
1920 1 85 HIS H 1 85 HIS HB3 . . 4.030 3.514 3.430 3.574 . 0 0 "[ . 1 . 2]" 1
1921 1 85 HIS H 1 85 HIS HD2 . . 5.460 5.129 4.805 5.394 . 0 0 "[ . 1 . 2]" 1
1922 1 85 HIS HA 1 86 TYR H . . 3.110 2.280 2.181 2.390 . 0 0 "[ . 1 . 2]" 1
1923 1 85 HIS HA 1 86 TYR QD . . 4.620 3.656 3.363 3.905 . 0 0 "[ . 1 . 2]" 1
1924 1 85 HIS HB2 1 86 TYR H . . 4.720 4.494 4.282 4.665 . 0 0 "[ . 1 . 2]" 1
1925 1 85 HIS HB3 1 85 HIS HD2 . . 3.000 2.813 2.636 2.997 . 0 0 "[ . 1 . 2]" 1
1926 1 85 HIS HB3 1 86 TYR H . . 3.900 3.572 3.080 3.904 0.004 20 0 "[ . 1 . 2]" 1
1927 1 85 HIS HD2 1 86 TYR H . . 4.520 3.919 3.366 4.575 0.055 7 0 "[ . 1 . 2]" 1
1928 1 86 TYR H 1 86 TYR QD . . 3.340 2.280 1.985 2.505 . 0 0 "[ . 1 . 2]" 1
1929 1 86 TYR HA 1 87 ASN H . . 3.100 2.410 2.319 2.472 . 0 0 "[ . 1 . 2]" 1
1930 1 86 TYR HA 1 87 ASN HB2 . . 4.840 4.416 4.062 4.676 . 0 0 "[ . 1 . 2]" 1
1931 1 86 TYR HB2 1 87 ASN H . . 3.770 2.663 2.508 2.799 . 0 0 "[ . 1 . 2]" 1
1932 1 86 TYR HB2 1 88 LEU MD2 . . 5.300 4.508 3.771 4.883 . 0 0 "[ . 1 . 2]" 1
1933 1 86 TYR HB2 1 88 LEU HG . . 5.020 5.075 4.886 5.100 0.080 19 0 "[ . 1 . 2]" 1
1934 1 86 TYR HB3 1 87 ASN H . . 4.340 4.021 3.927 4.123 . 0 0 "[ . 1 . 2]" 1
1935 1 86 TYR QD 1 87 ASN H . . 4.770 3.403 3.132 3.630 . 0 0 "[ . 1 . 2]" 1
1936 1 86 TYR QD 1 87 ASN HA . . 4.900 3.559 2.970 4.101 . 0 0 "[ . 1 . 2]" 1
1937 1 86 TYR QD 1 88 LEU H . . 4.550 3.879 3.185 4.602 0.052 13 0 "[ . 1 . 2]" 1
1938 1 86 TYR QD 1 88 LEU MD1 . . 4.090 4.096 3.859 4.178 0.088 2 0 "[ . 1 . 2]" 1
1939 1 86 TYR QD 1 88 LEU MD2 . . 3.200 3.047 2.243 3.297 0.097 16 0 "[ . 1 . 2]" 1
1940 1 86 TYR QD 1 88 LEU HG . . 3.040 2.919 2.803 3.060 0.020 13 0 "[ . 1 . 2]" 1
1941 1 86 TYR QE 1 87 ASN HA . . 5.210 4.411 3.852 4.951 . 0 0 "[ . 1 . 2]" 1
1942 1 86 TYR QE 1 88 LEU HB2 . . 5.400 4.892 4.612 5.351 . 0 0 "[ . 1 . 2]" 1
1943 1 86 TYR QE 1 88 LEU MD1 . . 3.150 2.869 2.534 3.142 . 0 0 "[ . 1 . 2]" 1
1944 1 86 TYR QE 1 88 LEU MD2 . . 3.670 3.236 2.464 3.763 0.093 5 0 "[ . 1 . 2]" 1
1945 1 86 TYR QE 1 88 LEU HG . . 2.900 2.659 2.355 2.973 0.073 6 0 "[ . 1 . 2]" 1
1946 1 87 ASN H 1 87 ASN HB2 . . 3.920 3.297 3.154 3.468 . 0 0 "[ . 1 . 2]" 1
1947 1 87 ASN H 1 87 ASN HB3 . . 3.570 3.085 2.821 3.283 . 0 0 "[ . 1 . 2]" 1
1948 1 87 ASN H 1 88 LEU H . . 4.950 4.095 3.714 4.325 . 0 0 "[ . 1 . 2]" 1
1949 1 87 ASN H 1 88 LEU MD2 . . 5.470 4.663 4.056 5.144 . 0 0 "[ . 1 . 2]" 1
1950 1 87 ASN HA 1 88 LEU H . . 2.840 2.183 2.066 2.381 . 0 0 "[ . 1 . 2]" 1
1951 1 87 ASN HA 1 88 LEU MD2 . . 5.390 4.685 4.141 4.974 . 0 0 "[ . 1 . 2]" 1
1952 1 87 ASN HA 1 88 LEU HG . . 4.420 3.774 3.392 4.203 . 0 0 "[ . 1 . 2]" 1
1953 1 87 ASN HB2 1 88 LEU H . . 4.900 4.275 4.024 4.601 . 0 0 "[ . 1 . 2]" 1
1954 1 87 ASN HB3 1 88 LEU H . . 5.060 4.015 3.490 4.454 . 0 0 "[ . 1 . 2]" 1
1955 1 87 ASN HB3 1 89 PHE QD . . 4.420 4.102 3.049 4.497 0.077 12 0 "[ . 1 . 2]" 1
1956 1 87 ASN HD22 1 89 PHE HB3 . . 5.410 4.309 2.569 5.477 0.067 11 0 "[ . 1 . 2]" 1
1957 1 88 LEU H 1 88 LEU HB2 . . 3.740 2.484 2.371 2.668 . 0 0 "[ . 1 . 2]" 1
1958 1 88 LEU H 1 88 LEU HB3 . . 3.930 3.618 3.563 3.749 . 0 0 "[ . 1 . 2]" 1
1959 1 88 LEU H 1 88 LEU MD1 . . 4.590 3.600 3.392 4.007 . 0 0 "[ . 1 . 2]" 1
1960 1 88 LEU H 1 88 LEU MD2 . . 4.050 3.586 3.163 3.931 . 0 0 "[ . 1 . 2]" 1
1961 1 88 LEU H 1 88 LEU HG . . 3.160 2.431 1.947 2.987 . 0 0 "[ . 1 . 2]" 1
1962 1 88 LEU HA 1 88 LEU MD2 . . 3.230 2.235 2.129 2.369 . 0 0 "[ . 1 . 2]" 1
1963 1 88 LEU HA 1 89 PHE H . . 2.980 2.364 2.240 2.503 . 0 0 "[ . 1 . 2]" 1
1964 1 88 LEU HA 1 89 PHE QD . . 3.880 3.288 2.927 3.825 . 0 0 "[ . 1 . 2]" 1
1965 1 88 LEU HB2 1 88 LEU MD1 . . 3.490 2.274 2.139 2.350 . 0 0 "[ . 1 . 2]" 1
1966 1 88 LEU HB2 1 89 PHE H . . 4.390 3.983 3.703 4.286 . 0 0 "[ . 1 . 2]" 1
1967 1 88 LEU HB3 1 88 LEU MD1 . . 3.250 2.468 2.385 2.527 . 0 0 "[ . 1 . 2]" 1
1968 1 88 LEU HB3 1 88 LEU MD2 . . 3.600 2.411 2.346 2.627 . 0 0 "[ . 1 . 2]" 1
1969 1 88 LEU HB3 1 89 PHE H . . 3.800 3.038 2.596 3.426 . 0 0 "[ . 1 . 2]" 1
1970 1 88 LEU MD1 1 89 PHE H . . 5.220 4.997 4.625 5.279 0.059 13 0 "[ . 1 . 2]" 1
1971 1 88 LEU MD2 1 89 PHE H . . 4.590 3.853 3.462 4.161 . 0 0 "[ . 1 . 2]" 1
1972 1 89 PHE H 1 89 PHE QD . . 3.440 2.775 2.420 3.482 0.042 8 0 "[ . 1 . 2]" 1
1973 1 89 PHE HA 1 89 PHE QD . . 3.940 3.760 3.717 3.785 . 0 0 "[ . 1 . 2]" 1
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