NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556578 |
2m3d   |
18954 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3d
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 1430
_Distance_constraint_stats_list.Viol_count 2743
_Distance_constraint_stats_list.Viol_total 4395.779
_Distance_constraint_stats_list.Viol_max 0.922
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_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 3 ILE 1.193 0.352 3 0 "[ . 1 . 2]"
1 4 SER 0.510 0.084 10 0 "[ . 1 . 2]"
1 5 GLY 0.378 0.082 10 0 "[ . 1 . 2]"
1 6 ALA 1.494 0.126 1 0 "[ . 1 . 2]"
1 7 THR 1.260 0.126 1 0 "[ . 1 . 2]"
1 8 SER 4.692 0.809 20 4 "[ . 1 * -. * +]"
1 9 VAL 6.074 0.666 3 4 "[ + . 1-* .* 2]"
1 10 ASP 9.701 0.809 20 7 "[ * . 1-* *.** +]"
1 11 GLN 2.588 0.305 5 0 "[ . 1 . 2]"
1 12 ARG 3.923 0.723 13 3 "[ * . - + . 2]"
1 13 SER 1.350 0.326 15 0 "[ . 1 . 2]"
1 14 LEU 2.392 0.241 4 0 "[ . 1 . 2]"
1 15 ILE 7.096 0.226 9 0 "[ . 1 . 2]"
1 16 ASN 3.384 0.326 15 0 "[ . 1 . 2]"
1 17 SER 3.374 0.092 3 0 "[ . 1 . 2]"
1 18 ASN 1.803 0.098 8 0 "[ . 1 . 2]"
1 19 VAL 1.658 0.098 8 0 "[ . 1 . 2]"
1 20 GLY 7.541 0.606 20 1 "[ . 1 . +]"
1 21 PHE 6.271 0.606 20 1 "[ . 1 . +]"
1 22 VAL 3.781 0.112 20 0 "[ . 1 . 2]"
1 23 THR 2.017 0.096 2 0 "[ . 1 . 2]"
1 24 MET 10.164 0.101 2 0 "[ . 1 . 2]"
1 25 ILE 4.855 0.132 14 0 "[ . 1 . 2]"
1 26 LEU 5.676 0.111 15 0 "[ . 1 . 2]"
1 27 GLN 2.894 0.144 19 0 "[ . 1 . 2]"
1 28 CYS 3.914 0.106 16 0 "[ . 1 . 2]"
1 29 SER 1.015 0.089 15 0 "[ . 1 . 2]"
1 30 ILE 2.294 0.108 15 0 "[ . 1 . 2]"
1 31 GLU 3.961 0.210 3 0 "[ . 1 . 2]"
1 32 MET 13.656 0.490 19 0 "[ . 1 . 2]"
1 33 PRO 5.613 0.283 1 0 "[ . 1 . 2]"
1 34 ASN 8.105 0.283 1 0 "[ . 1 . 2]"
1 35 ILE 9.045 0.105 15 0 "[ . 1 . 2]"
1 36 SER 0.923 0.088 18 0 "[ . 1 . 2]"
1 37 TYR 5.043 0.089 11 0 "[ . 1 . 2]"
1 38 ALA 1.877 0.084 15 0 "[ . 1 . 2]"
1 39 TRP 8.532 0.236 16 0 "[ . 1 . 2]"
1 40 LYS 2.120 0.105 3 0 "[ . 1 . 2]"
1 41 GLU 3.575 0.086 20 0 "[ . 1 . 2]"
1 42 LEU 3.806 0.087 10 0 "[ . 1 . 2]"
1 43 LYS 3.703 0.308 16 0 "[ . 1 . 2]"
1 44 GLU 2.792 0.477 10 0 "[ . 1 . 2]"
1 45 GLN 5.925 0.787 15 2 "[ . 1 - + 2]"
1 46 LEU 8.057 0.716 12 2 "[ . 1 + - 2]"
1 47 GLY 0.996 0.094 16 0 "[ . 1 . 2]"
1 48 GLU 2.657 0.108 7 0 "[ . 1 . 2]"
1 49 GLU 4.523 0.608 12 2 "[ - . 1 + . 2]"
1 50 ILE 5.344 0.251 10 0 "[ . 1 . 2]"
1 51 ASP 2.303 0.308 16 0 "[ . 1 . 2]"
1 52 SER 3.287 0.320 20 0 "[ . 1 . 2]"
1 53 LYS 2.667 0.222 5 0 "[ . 1 . 2]"
1 54 VAL 3.210 0.251 10 0 "[ . 1 . 2]"
1 55 LYS 4.888 0.378 16 0 "[ . 1 . 2]"
1 56 GLY 3.275 0.117 16 0 "[ . 1 . 2]"
1 57 MET 5.811 0.447 11 0 "[ . 1 . 2]"
1 58 VAL 8.555 0.447 11 0 "[ . 1 . 2]"
1 59 PHE 7.102 0.435 5 0 "[ . 1 . 2]"
1 60 LEU 5.502 0.270 12 0 "[ . 1 . 2]"
1 61 LYS 4.151 0.639 3 3 "[ -+ . * 1 . 2]"
1 62 GLY 1.323 0.092 4 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 3.552 0.100 14 0 "[ . 1 . 2]"
1 65 GLY 8.631 0.490 19 0 "[ . 1 . 2]"
1 66 VAL 1.845 0.146 4 0 "[ . 1 . 2]"
1 67 CYS 1.168 0.095 12 0 "[ . 1 . 2]"
1 68 PHE 5.005 0.130 15 0 "[ . 1 . 2]"
1 69 ASP 0.886 0.101 19 0 "[ . 1 . 2]"
1 70 VAL 2.538 0.093 19 0 "[ . 1 . 2]"
1 71 PRO 3.988 0.089 20 0 "[ . 1 . 2]"
1 72 THR 7.856 0.266 17 0 "[ . 1 . 2]"
1 73 ALA 3.973 0.133 20 0 "[ . 1 . 2]"
1 74 SER 3.127 0.085 3 0 "[ . 1 . 2]"
1 75 VAL 1.270 0.083 18 0 "[ . 1 . 2]"
1 76 THR 4.098 0.543 17 1 "[ . 1 . + 2]"
1 77 GLU 3.837 0.890 2 3 "[ + . 1 .* -]"
1 78 ILE 11.519 0.890 2 3 "[ + . 1 .* -]"
1 79 GLN 4.277 0.104 2 0 "[ . 1 . 2]"
1 80 GLU 5.630 0.543 17 1 "[ . 1 . + 2]"
1 81 LYS 4.486 0.716 12 2 "[ . 1 + - 2]"
1 82 TRP 7.686 0.779 13 1 "[ . 1 + . 2]"
1 83 HIS 3.145 0.787 15 1 "[ . 1 + 2]"
1 84 ASP 9.247 0.922 15 4 "[ . *-1 *+ 2]"
1 85 SER 3.565 0.605 8 3 "[ . +-1 *. 2]"
1 86 ARG 0.648 0.093 5 0 "[ . 1 . 2]"
1 87 ARG 1.500 0.089 15 0 "[ . 1 . 2]"
1 88 TRP 6.145 0.172 6 0 "[ . 1 . 2]"
1 89 GLN 3.550 0.779 9 1 "[ . +1 . 2]"
1 90 LEU 5.595 0.922 15 1 "[ . 1 + 2]"
1 91 SER 3.539 0.104 18 0 "[ . 1 . 2]"
1 92 VAL 2.610 0.096 16 0 "[ . 1 . 2]"
1 93 ALA 1.361 0.106 8 0 "[ . 1 . 2]"
1 94 THR 0.434 0.104 20 0 "[ . 1 . 2]"
1 95 GLU 1.490 0.408 19 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 3 ILE H 1 3 ILE HB . . 4.090 3.470 2.753 3.880 . 0 0 "[ . 1 . 2]" 1
2 1 3 ILE H 1 3 ILE HG12 . . 4.880 3.533 2.005 5.232 0.352 3 0 "[ . 1 . 2]" 1
3 1 3 ILE H 1 4 SER H . . 3.840 3.574 2.238 3.924 0.084 10 0 "[ . 1 . 2]" 1
4 1 3 ILE HA 1 4 SER H . . 3.390 2.381 2.099 3.386 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE HB 1 4 SER H . . 4.920 4.252 3.449 4.562 . 0 0 "[ . 1 . 2]" 1
6 1 4 SER H 1 4 SER HB2 . . 3.980 3.346 2.480 3.973 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLY H 1 6 ALA H . . 4.230 3.558 2.421 4.312 0.082 10 0 "[ . 1 . 2]" 1
8 1 5 GLY QA 1 6 ALA H . . 3.410 2.372 2.148 2.928 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLY QA 1 6 ALA MB . . 5.360 3.782 3.546 4.129 . 0 0 "[ . 1 . 2]" 1
10 1 6 ALA HA 1 7 THR H . . 3.360 2.889 2.513 3.395 0.035 14 0 "[ . 1 . 2]" 1
11 1 6 ALA MB 1 7 THR H . . 3.720 3.119 1.883 3.798 0.078 13 0 "[ . 1 . 2]" 1
12 1 6 ALA MB 1 7 THR HA . . 4.870 4.317 3.977 4.547 . 0 0 "[ . 1 . 2]" 1
13 1 6 ALA MB 1 7 THR MG . . 3.310 3.216 2.796 3.436 0.126 1 0 "[ . 1 . 2]" 1
14 1 7 THR H 1 7 THR MG . . 3.750 2.800 2.011 3.371 . 0 0 "[ . 1 . 2]" 1
15 1 7 THR HA 1 7 THR MG . . 3.320 2.556 2.209 3.298 . 0 0 "[ . 1 . 2]" 1
16 1 7 THR HA 1 8 SER H . . 3.290 2.530 2.136 3.366 0.076 16 0 "[ . 1 . 2]" 1
17 1 7 THR MG 1 8 SER H . . 5.500 3.745 3.143 4.405 . 0 0 "[ . 1 . 2]" 1
18 1 8 SER H 1 8 SER HB2 . . 3.670 2.955 2.379 3.859 0.189 1 0 "[ . 1 . 2]" 1
19 1 8 SER HA 1 9 VAL H . . 3.040 2.459 2.138 2.828 . 0 0 "[ . 1 . 2]" 1
20 1 8 SER HA 1 9 VAL QG . . 3.930 3.363 3.107 3.891 . 0 0 "[ . 1 . 2]" 1
21 1 8 SER HB2 1 9 VAL H . . 4.000 3.412 2.083 4.420 0.420 9 0 "[ . 1 . 2]" 1
22 1 8 SER HB2 1 10 ASP H . . 5.140 3.518 2.050 5.171 0.031 18 0 "[ . 1 . 2]" 1
23 1 8 SER HB3 1 10 ASP HB3 . . 4.420 4.221 3.269 5.229 0.809 20 4 "[ . 1 * -. * +]" 1
24 1 9 VAL H 1 9 VAL HB . . 3.560 3.418 2.956 3.653 0.093 10 0 "[ . 1 . 2]" 1
25 1 9 VAL H 1 9 VAL QG . . 3.670 2.137 1.808 2.627 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL HA 1 9 VAL QG . . 3.210 2.279 2.147 2.414 . 0 0 "[ . 1 . 2]" 1
27 1 9 VAL HA 1 10 ASP H . . 3.050 2.641 2.137 3.129 0.079 3 0 "[ . 1 . 2]" 1
28 1 9 VAL HA 1 10 ASP HB3 . . 5.120 5.192 4.347 5.786 0.666 3 4 "[ + . 1-* .* 2]" 1
29 1 9 VAL HB 1 10 ASP H . . 4.320 4.358 4.158 4.407 0.087 5 0 "[ . 1 . 2]" 1
30 1 9 VAL QG 1 10 ASP H . . 4.320 3.467 2.686 3.848 . 0 0 "[ . 1 . 2]" 1
31 1 9 VAL QG 1 10 ASP HB2 . . 5.230 3.990 2.743 5.133 . 0 0 "[ . 1 . 2]" 1
32 1 9 VAL QG 1 10 ASP HB3 . . 5.500 4.681 3.720 5.132 . 0 0 "[ . 1 . 2]" 1
33 1 10 ASP H 1 10 ASP HB2 . . 3.410 3.220 2.396 3.640 0.230 17 0 "[ . 1 . 2]" 1
34 1 10 ASP H 1 10 ASP HB3 . . 3.610 2.792 2.201 3.469 . 0 0 "[ . 1 . 2]" 1
35 1 10 ASP HA 1 11 GLN H . . 2.930 2.566 2.176 3.012 0.082 18 0 "[ . 1 . 2]" 1
36 1 10 ASP HB2 1 11 GLN H . . 5.000 4.477 3.620 4.694 . 0 0 "[ . 1 . 2]" 1
37 1 11 GLN H 1 11 GLN HB2 . . 3.650 3.368 2.625 3.955 0.305 5 0 "[ . 1 . 2]" 1
38 1 11 GLN H 1 11 GLN HB3 . . 3.870 3.490 2.779 3.870 . 0 0 "[ . 1 . 2]" 1
39 1 11 GLN H 1 11 GLN QG . . 4.400 3.659 2.606 4.422 0.022 3 0 "[ . 1 . 2]" 1
40 1 11 GLN HA 1 11 GLN QG . . 3.640 2.702 2.102 3.489 . 0 0 "[ . 1 . 2]" 1
41 1 11 GLN HA 1 12 ARG H . . 2.920 2.275 2.125 2.613 . 0 0 "[ . 1 . 2]" 1
42 1 11 GLN HA 1 12 ARG QG . . 4.690 4.110 3.629 4.615 . 0 0 "[ . 1 . 2]" 1
43 1 11 GLN HB2 1 12 ARG H . . 4.750 3.903 2.403 4.687 . 0 0 "[ . 1 . 2]" 1
44 1 11 GLN HB3 1 11 GLN QG . . 2.710 2.366 2.137 2.564 . 0 0 "[ . 1 . 2]" 1
45 1 11 GLN HB3 1 12 ARG H . . 4.400 3.802 2.169 4.447 0.047 3 0 "[ . 1 . 2]" 1
46 1 11 GLN HE21 1 14 LEU QD . . 5.350 4.581 2.640 5.194 . 0 0 "[ . 1 . 2]" 1
47 1 11 GLN HE22 1 14 LEU QD . . 5.070 4.146 2.363 5.311 0.241 4 0 "[ . 1 . 2]" 1
48 1 11 GLN QG 1 12 ARG H . . 4.890 3.740 1.974 4.677 . 0 0 "[ . 1 . 2]" 1
49 1 12 ARG H 1 12 ARG HB2 . . 3.210 2.915 2.398 3.933 0.723 13 3 "[ * . - + . 2]" 1
50 1 12 ARG H 1 12 ARG QB . . 3.900 2.627 2.367 3.084 . 0 0 "[ . 1 . 2]" 1
51 1 12 ARG H 1 12 ARG QD . . 5.150 4.088 2.514 5.139 . 0 0 "[ . 1 . 2]" 1
52 1 12 ARG H 1 12 ARG QG . . 3.910 2.766 2.043 3.556 . 0 0 "[ . 1 . 2]" 1
53 1 12 ARG H 1 12 ARG HG3 . . 3.630 3.353 2.534 4.099 0.469 1 0 "[ . 1 . 2]" 1
54 1 12 ARG HA 1 12 ARG QG . . 3.720 2.692 2.197 3.438 . 0 0 "[ . 1 . 2]" 1
55 1 12 ARG QB 1 12 ARG QD . . 3.430 2.276 2.050 2.558 . 0 0 "[ . 1 . 2]" 1
56 1 12 ARG QB 1 12 ARG QG . . 2.400 2.084 1.997 2.128 . 0 0 "[ . 1 . 2]" 1
57 1 13 SER H 1 13 SER QB . . 3.880 2.955 2.628 3.451 . 0 0 "[ . 1 . 2]" 1
58 1 13 SER H 1 14 LEU H . . 4.380 4.323 4.184 4.454 0.074 11 0 "[ . 1 . 2]" 1
59 1 13 SER H 1 16 ASN QB . . 3.470 3.133 2.456 3.485 0.015 13 0 "[ . 1 . 2]" 1
60 1 13 SER H 1 16 ASN HD21 . . 5.500 3.818 3.252 5.571 0.071 1 0 "[ . 1 . 2]" 1
61 1 13 SER H 1 16 ASN HD22 . . 5.210 5.162 4.802 5.536 0.326 15 0 "[ . 1 . 2]" 1
62 1 13 SER HA 1 14 LEU H . . 3.110 2.487 2.367 2.654 . 0 0 "[ . 1 . 2]" 1
63 1 13 SER QB 1 14 LEU H . . 3.110 2.329 1.970 2.852 . 0 0 "[ . 1 . 2]" 1
64 1 13 SER QB 1 15 ILE H . . 5.500 2.725 1.864 3.665 . 0 0 "[ . 1 . 2]" 1
65 1 13 SER QB 1 15 ILE MG . . 5.230 4.178 3.571 5.091 . 0 0 "[ . 1 . 2]" 1
66 1 14 LEU H 1 14 LEU HB2 . . 4.120 2.260 2.004 2.478 . 0 0 "[ . 1 . 2]" 1
67 1 14 LEU H 1 14 LEU HB3 . . 4.050 3.332 2.732 3.642 . 0 0 "[ . 1 . 2]" 1
68 1 14 LEU H 1 14 LEU QD . . 4.800 2.840 2.032 3.711 . 0 0 "[ . 1 . 2]" 1
69 1 14 LEU H 1 15 ILE H . . 5.000 2.925 2.536 3.332 . 0 0 "[ . 1 . 2]" 1
70 1 14 LEU HA 1 14 LEU HB3 . . 2.960 2.722 2.457 3.017 0.057 11 0 "[ . 1 . 2]" 1
71 1 14 LEU HA 1 14 LEU QD . . 3.840 2.315 1.844 2.985 . 0 0 "[ . 1 . 2]" 1
72 1 14 LEU HA 1 15 ILE H . . 3.310 3.145 2.563 3.390 0.080 10 0 "[ . 1 . 2]" 1
73 1 14 LEU HB2 1 15 ILE H . . 4.370 3.973 3.014 4.422 0.052 16 0 "[ . 1 . 2]" 1
74 1 14 LEU HB3 1 15 ILE H . . 4.210 4.101 3.501 4.436 0.226 9 0 "[ . 1 . 2]" 1
75 1 14 LEU HB3 1 15 ILE MG . . 4.320 3.654 2.783 4.518 0.198 12 0 "[ . 1 . 2]" 1
76 1 15 ILE H 1 15 ILE HB . . 3.820 3.777 3.643 3.892 0.072 1 0 "[ . 1 . 2]" 1
77 1 15 ILE H 1 15 ILE MD . . 4.670 3.981 3.684 4.406 . 0 0 "[ . 1 . 2]" 1
78 1 15 ILE H 1 15 ILE HG12 . . 4.240 2.407 1.967 3.067 . 0 0 "[ . 1 . 2]" 1
79 1 15 ILE H 1 15 ILE HG13 . . 3.880 2.855 2.340 3.147 . 0 0 "[ . 1 . 2]" 1
80 1 15 ILE H 1 15 ILE MG . . 4.390 3.162 2.564 3.762 . 0 0 "[ . 1 . 2]" 1
81 1 15 ILE H 1 16 ASN H . . 4.430 2.439 1.635 3.597 . 0 0 "[ . 1 . 2]" 1
82 1 15 ILE H 1 16 ASN HA . . 5.290 4.297 3.526 4.801 . 0 0 "[ . 1 . 2]" 1
83 1 15 ILE HA 1 15 ILE MD . . 4.440 4.199 4.119 4.279 . 0 0 "[ . 1 . 2]" 1
84 1 15 ILE HA 1 15 ILE HG12 . . 3.670 3.737 3.709 3.752 0.082 16 0 "[ . 1 . 2]" 1
85 1 15 ILE HA 1 15 ILE HG13 . . 4.040 3.739 3.669 3.823 . 0 0 "[ . 1 . 2]" 1
86 1 15 ILE HA 1 15 ILE MG . . 3.520 2.221 2.128 2.315 . 0 0 "[ . 1 . 2]" 1
87 1 15 ILE HA 1 18 ASN H . . 3.250 3.066 2.463 3.332 0.082 16 0 "[ . 1 . 2]" 1
88 1 15 ILE HB 1 15 ILE MD . . 3.610 2.445 2.351 2.536 . 0 0 "[ . 1 . 2]" 1
89 1 15 ILE HB 1 16 ASN HA . . 4.800 4.842 4.397 4.889 0.089 5 0 "[ . 1 . 2]" 1
90 1 15 ILE HB 1 17 SER H . . 4.350 4.435 4.429 4.442 0.092 3 0 "[ . 1 . 2]" 1
91 1 15 ILE HB 1 18 ASN H . . 4.110 3.593 2.797 4.163 0.053 18 0 "[ . 1 . 2]" 1
92 1 15 ILE HB 1 18 ASN QB . . 4.760 3.665 2.158 4.665 . 0 0 "[ . 1 . 2]" 1
93 1 15 ILE HG13 1 16 ASN H . . 4.730 3.942 3.001 4.756 0.026 17 0 "[ . 1 . 2]" 1
94 1 15 ILE HG13 1 16 ASN HA . . 5.070 4.047 3.393 4.844 . 0 0 "[ . 1 . 2]" 1
95 1 15 ILE MG 1 18 ASN QB . . 5.120 2.792 2.063 3.886 . 0 0 "[ . 1 . 2]" 1
96 1 15 ILE MG 1 18 ASN HD21 . . 5.380 4.151 2.727 5.293 . 0 0 "[ . 1 . 2]" 1
97 1 16 ASN H 1 16 ASN HD21 . . 5.500 2.955 1.912 4.975 . 0 0 "[ . 1 . 2]" 1
98 1 16 ASN HA 1 16 ASN HD21 . . 4.930 3.993 1.991 4.467 . 0 0 "[ . 1 . 2]" 1
99 1 16 ASN HA 1 17 SER H . . 3.360 3.377 3.283 3.433 0.073 19 0 "[ . 1 . 2]" 1
100 1 16 ASN HD21 1 17 SER H . . 5.200 4.449 3.895 5.276 0.076 18 0 "[ . 1 . 2]" 1
101 1 16 ASN HD22 1 17 SER H . . 5.500 4.699 3.711 5.588 0.088 11 0 "[ . 1 . 2]" 1
102 1 17 SER H 1 18 ASN QB . . 5.220 3.477 3.078 3.826 . 0 0 "[ . 1 . 2]" 1
103 1 17 SER HA 1 18 ASN HA . . 4.510 4.477 4.203 4.600 0.090 1 0 "[ . 1 . 2]" 1
104 1 18 ASN HA 1 18 ASN HD21 . . 4.710 4.061 2.801 4.575 . 0 0 "[ . 1 . 2]" 1
105 1 18 ASN HA 1 18 ASN HD22 . . 5.290 4.389 3.672 4.841 . 0 0 "[ . 1 . 2]" 1
106 1 18 ASN HA 1 19 VAL H . . 3.370 2.827 2.235 3.468 0.098 8 0 "[ . 1 . 2]" 1
107 1 18 ASN HA 1 19 VAL QG . . 5.170 4.130 3.333 4.738 . 0 0 "[ . 1 . 2]" 1
108 1 19 VAL H 1 19 VAL HB . . 3.240 2.978 2.478 3.315 0.075 14 0 "[ . 1 . 2]" 1
109 1 19 VAL H 1 19 VAL QG . . 3.300 2.546 2.109 3.128 . 0 0 "[ . 1 . 2]" 1
110 1 19 VAL HA 1 19 VAL QG . . 3.140 2.195 2.008 2.341 . 0 0 "[ . 1 . 2]" 1
111 1 19 VAL HA 1 20 GLY H . . 2.870 2.338 2.096 2.957 0.087 19 0 "[ . 1 . 2]" 1
112 1 19 VAL HB 1 20 GLY H . . 4.230 4.127 3.458 4.311 0.081 18 0 "[ . 1 . 2]" 1
113 1 19 VAL QG 1 20 GLY H . . 3.990 2.788 2.033 3.753 . 0 0 "[ . 1 . 2]" 1
114 1 19 VAL QG 1 20 GLY HA2 . . 4.950 3.606 3.112 4.802 . 0 0 "[ . 1 . 2]" 1
115 1 19 VAL QG 1 20 GLY HA3 . . 4.790 4.172 3.673 4.635 . 0 0 "[ . 1 . 2]" 1
116 1 19 VAL QG 1 72 THR HB . . 4.680 2.467 1.972 4.093 . 0 0 "[ . 1 . 2]" 1
117 1 19 VAL QG 1 72 THR MG . . 3.210 2.592 1.939 3.215 0.005 5 0 "[ . 1 . 2]" 1
118 1 20 GLY H 1 21 PHE H . . 3.590 3.413 1.657 3.675 0.085 19 0 "[ . 1 . 2]" 1
119 1 20 GLY H 1 21 PHE QB . . 5.500 5.341 4.199 5.609 0.109 19 0 "[ . 1 . 2]" 1
120 1 20 GLY H 1 21 PHE QD . . 5.500 4.972 3.779 5.450 . 0 0 "[ . 1 . 2]" 1
121 1 20 GLY H 1 71 PRO HA . . 5.410 5.144 4.380 5.499 0.089 20 0 "[ . 1 . 2]" 1
122 1 20 GLY HA2 1 21 PHE QB . . 4.760 4.774 4.188 5.366 0.606 20 1 "[ . 1 . +]" 1
123 1 20 GLY HA2 1 72 THR MG . . 5.100 5.164 3.890 5.366 0.266 17 0 "[ . 1 . 2]" 1
124 1 20 GLY HA3 1 21 PHE QB . . 5.300 4.343 3.915 5.231 . 0 0 "[ . 1 . 2]" 1
125 1 20 GLY HA3 1 21 PHE QD . . 4.960 4.075 3.169 5.267 0.307 18 0 "[ . 1 . 2]" 1
126 1 20 GLY HA3 1 72 THR MG . . 5.250 4.983 3.986 5.344 0.094 9 0 "[ . 1 . 2]" 1
127 1 21 PHE H 1 21 PHE QB . . 3.880 2.640 2.265 3.233 . 0 0 "[ . 1 . 2]" 1
128 1 21 PHE H 1 21 PHE QD . . 4.060 3.403 2.358 4.151 0.091 18 0 "[ . 1 . 2]" 1
129 1 21 PHE H 1 22 VAL H . . 5.500 4.318 4.045 4.692 . 0 0 "[ . 1 . 2]" 1
130 1 21 PHE H 1 72 THR H . . 5.090 4.202 3.467 4.779 . 0 0 "[ . 1 . 2]" 1
131 1 21 PHE HA 1 21 PHE QD . . 3.920 3.038 1.985 3.275 . 0 0 "[ . 1 . 2]" 1
132 1 21 PHE HA 1 22 VAL H . . 2.990 2.321 2.241 2.498 . 0 0 "[ . 1 . 2]" 1
133 1 21 PHE HA 1 22 VAL HB . . 4.630 4.419 3.875 4.710 0.080 14 0 "[ . 1 . 2]" 1
134 1 21 PHE HA 1 22 VAL QG . . 4.970 3.674 3.233 4.186 . 0 0 "[ . 1 . 2]" 1
135 1 21 PHE HA 1 70 VAL H . . 4.890 4.374 4.107 4.737 . 0 0 "[ . 1 . 2]" 1
136 1 21 PHE HA 1 71 PRO HA . . 3.190 2.410 2.082 2.814 . 0 0 "[ . 1 . 2]" 1
137 1 21 PHE HA 1 71 PRO HB3 . . 4.910 4.638 4.283 4.987 0.077 13 0 "[ . 1 . 2]" 1
138 1 21 PHE HA 1 72 THR H . . 3.410 2.494 1.998 3.042 . 0 0 "[ . 1 . 2]" 1
139 1 21 PHE HA 1 72 THR MG . . 5.190 4.823 4.260 5.141 . 0 0 "[ . 1 . 2]" 1
140 1 21 PHE QB 1 22 VAL H . . 3.610 2.825 2.600 3.499 . 0 0 "[ . 1 . 2]" 1
141 1 21 PHE QB 1 22 VAL HA . . 4.670 3.968 3.808 4.163 . 0 0 "[ . 1 . 2]" 1
142 1 21 PHE QB 1 22 VAL QG . . 5.080 4.246 4.094 4.406 . 0 0 "[ . 1 . 2]" 1
143 1 21 PHE QB 1 23 THR H . . 5.300 5.251 4.780 5.387 0.087 5 0 "[ . 1 . 2]" 1
144 1 21 PHE QB 1 69 ASP HA . . 4.740 4.401 3.934 4.841 0.101 19 0 "[ . 1 . 2]" 1
145 1 21 PHE QB 1 69 ASP QB . . 3.460 2.821 2.150 3.500 0.040 7 0 "[ . 1 . 2]" 1
146 1 21 PHE QB 1 70 VAL H . . 4.360 3.752 3.161 4.375 0.015 6 0 "[ . 1 . 2]" 1
147 1 21 PHE QB 1 71 PRO HA . . 4.470 3.847 3.491 4.487 0.017 18 0 "[ . 1 . 2]" 1
148 1 21 PHE QB 1 72 THR H . . 5.460 4.573 4.233 4.923 . 0 0 "[ . 1 . 2]" 1
149 1 21 PHE QD 1 22 VAL H . . 4.270 3.865 3.291 4.253 . 0 0 "[ . 1 . 2]" 1
150 1 21 PHE QD 1 55 LYS QE . . 5.340 4.292 2.566 5.243 . 0 0 "[ . 1 . 2]" 1
151 1 21 PHE QD 1 69 ASP QB . . 3.540 2.595 2.050 3.294 . 0 0 "[ . 1 . 2]" 1
152 1 21 PHE QD 1 70 VAL H . . 4.920 3.459 2.968 4.072 . 0 0 "[ . 1 . 2]" 1
153 1 21 PHE QD 1 70 VAL HA . . 4.150 3.281 2.818 3.991 . 0 0 "[ . 1 . 2]" 1
154 1 21 PHE QD 1 71 PRO HA . . 3.700 3.060 2.085 3.495 . 0 0 "[ . 1 . 2]" 1
155 1 21 PHE QD 1 72 THR H . . 5.500 4.146 3.376 4.643 . 0 0 "[ . 1 . 2]" 1
156 1 21 PHE QE 1 55 LYS HD2 . . 4.690 3.768 2.661 4.695 0.005 19 0 "[ . 1 . 2]" 1
157 1 21 PHE QE 1 55 LYS HD3 . . 4.600 3.457 2.257 4.769 0.169 8 0 "[ . 1 . 2]" 1
158 1 21 PHE QE 1 55 LYS QE . . 4.940 3.341 1.974 4.311 . 0 0 "[ . 1 . 2]" 1
159 1 21 PHE QE 1 55 LYS QG . . 4.570 2.482 1.981 3.282 . 0 0 "[ . 1 . 2]" 1
160 1 21 PHE QE 1 69 ASP QB . . 4.810 4.133 3.010 4.880 0.070 10 0 "[ . 1 . 2]" 1
161 1 21 PHE QE 1 70 VAL HA . . 4.840 3.329 2.585 4.344 . 0 0 "[ . 1 . 2]" 1
162 1 21 PHE QE 1 71 PRO HA . . 4.030 3.489 2.650 3.862 . 0 0 "[ . 1 . 2]" 1
163 1 21 PHE QE 1 71 PRO HB2 . . 4.850 4.536 4.064 4.915 0.065 10 0 "[ . 1 . 2]" 1
164 1 21 PHE QE 1 71 PRO HD2 . . 5.500 4.103 3.802 4.676 . 0 0 "[ . 1 . 2]" 1
165 1 21 PHE QE 1 71 PRO HD3 . . 4.590 2.572 2.286 3.265 . 0 0 "[ . 1 . 2]" 1
166 1 21 PHE QE 1 71 PRO HG3 . . 4.400 4.060 3.373 4.474 0.074 7 0 "[ . 1 . 2]" 1
167 1 21 PHE HZ 1 71 PRO HA . . 4.750 4.334 3.786 4.836 0.086 18 0 "[ . 1 . 2]" 1
168 1 22 VAL H 1 22 VAL HB . . 3.440 2.819 2.467 3.073 . 0 0 "[ . 1 . 2]" 1
169 1 22 VAL H 1 22 VAL QG . . 3.850 2.785 2.368 3.171 . 0 0 "[ . 1 . 2]" 1
170 1 22 VAL H 1 23 THR H . . 5.420 4.351 4.175 4.472 . 0 0 "[ . 1 . 2]" 1
171 1 22 VAL H 1 69 ASP HA . . 5.020 4.284 3.888 4.563 . 0 0 "[ . 1 . 2]" 1
172 1 22 VAL H 1 69 ASP QB . . 5.260 4.155 3.306 4.783 . 0 0 "[ . 1 . 2]" 1
173 1 22 VAL H 1 70 VAL H . . 3.620 2.832 2.290 3.219 . 0 0 "[ . 1 . 2]" 1
174 1 22 VAL H 1 70 VAL HA . . 5.500 4.906 4.592 5.321 . 0 0 "[ . 1 . 2]" 1
175 1 22 VAL H 1 71 PRO HA . . 4.450 4.069 3.741 4.407 . 0 0 "[ . 1 . 2]" 1
176 1 22 VAL H 1 72 THR H . . 4.620 4.109 3.543 4.684 0.064 5 0 "[ . 1 . 2]" 1
177 1 22 VAL H 1 72 THR HA . . 5.500 4.283 4.069 4.619 . 0 0 "[ . 1 . 2]" 1
178 1 22 VAL H 1 72 THR MG . . 5.140 5.197 4.934 5.252 0.112 20 0 "[ . 1 . 2]" 1
179 1 22 VAL HA 1 22 VAL QG . . 3.170 2.188 2.113 2.265 . 0 0 "[ . 1 . 2]" 1
180 1 22 VAL HA 1 23 THR H . . 2.760 2.296 2.191 2.464 . 0 0 "[ . 1 . 2]" 1
181 1 22 VAL HA 1 23 THR HB . . 4.840 4.801 4.443 4.915 0.075 5 0 "[ . 1 . 2]" 1
182 1 22 VAL HA 1 70 VAL H . . 4.970 4.815 4.409 5.046 0.076 8 0 "[ . 1 . 2]" 1
183 1 22 VAL HB 1 23 THR H . . 4.230 4.073 3.686 4.294 0.064 20 0 "[ . 1 . 2]" 1
184 1 22 VAL HB 1 70 VAL H . . 4.950 4.774 4.231 5.043 0.093 19 0 "[ . 1 . 2]" 1
185 1 22 VAL HB 1 72 THR HA . . 4.170 3.970 2.899 4.248 0.078 6 0 "[ . 1 . 2]" 1
186 1 22 VAL QG 1 23 THR H . . 3.860 2.417 2.194 2.648 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL QG 1 72 THR H . . 5.500 4.225 3.304 4.928 . 0 0 "[ . 1 . 2]" 1
188 1 23 THR H 1 23 THR HB . . 3.270 2.540 2.276 2.692 . 0 0 "[ . 1 . 2]" 1
189 1 23 THR H 1 24 MET H . . 4.810 4.661 4.571 4.714 . 0 0 "[ . 1 . 2]" 1
190 1 23 THR H 1 24 MET HA . . 5.500 5.330 5.094 5.539 0.039 13 0 "[ . 1 . 2]" 1
191 1 23 THR H 1 93 ALA MB . . 5.270 2.873 2.431 3.467 . 0 0 "[ . 1 . 2]" 1
192 1 23 THR HA 1 23 THR MG . . 3.390 2.370 2.216 2.533 . 0 0 "[ . 1 . 2]" 1
193 1 23 THR HA 1 24 MET H . . 2.920 2.350 2.262 2.483 . 0 0 "[ . 1 . 2]" 1
194 1 23 THR HA 1 24 MET HG3 . . 4.910 3.956 3.549 4.812 . 0 0 "[ . 1 . 2]" 1
195 1 23 THR HA 1 68 PHE H . . 4.730 4.162 3.817 4.407 . 0 0 "[ . 1 . 2]" 1
196 1 23 THR HA 1 69 ASP HA . . 3.180 2.079 1.939 2.507 . 0 0 "[ . 1 . 2]" 1
197 1 23 THR HA 1 70 VAL H . . 4.130 3.545 3.059 3.888 . 0 0 "[ . 1 . 2]" 1
198 1 23 THR HA 1 70 VAL QG . . 4.380 3.874 3.420 4.312 . 0 0 "[ . 1 . 2]" 1
199 1 23 THR HB 1 24 MET H . . 4.890 3.958 3.584 4.243 . 0 0 "[ . 1 . 2]" 1
200 1 23 THR HB 1 93 ALA H . . 4.720 4.063 3.653 4.492 . 0 0 "[ . 1 . 2]" 1
201 1 23 THR HB 1 93 ALA MB . . 3.300 2.201 1.970 2.613 . 0 0 "[ . 1 . 2]" 1
202 1 23 THR MG 1 24 MET H . . 3.460 2.483 2.210 2.662 . 0 0 "[ . 1 . 2]" 1
203 1 23 THR MG 1 24 MET HG3 . . 5.350 4.771 4.388 5.446 0.096 2 0 "[ . 1 . 2]" 1
204 1 23 THR MG 1 67 CYS HA . . 4.600 3.970 3.531 4.276 . 0 0 "[ . 1 . 2]" 1
205 1 23 THR MG 1 67 CYS QB . . 3.510 2.304 2.064 2.919 . 0 0 "[ . 1 . 2]" 1
206 1 23 THR MG 1 68 PHE H . . 3.880 2.774 2.454 3.121 . 0 0 "[ . 1 . 2]" 1
207 1 23 THR MG 1 68 PHE HA . . 3.790 3.660 3.285 3.882 0.092 10 0 "[ . 1 . 2]" 1
208 1 23 THR MG 1 69 ASP HA . . 4.490 3.447 2.949 3.895 . 0 0 "[ . 1 . 2]" 1
209 1 24 MET H 1 24 MET HB3 . . 3.740 3.821 3.806 3.834 0.094 5 0 "[ . 1 . 2]" 1
210 1 24 MET H 1 24 MET HG2 . . 4.120 3.738 3.278 4.038 . 0 0 "[ . 1 . 2]" 1
211 1 24 MET H 1 24 MET HG3 . . 4.280 2.803 2.486 3.706 . 0 0 "[ . 1 . 2]" 1
212 1 24 MET H 1 25 ILE H . . 5.500 4.327 4.236 4.465 . 0 0 "[ . 1 . 2]" 1
213 1 24 MET H 1 67 CYS HA . . 5.500 4.514 4.090 4.901 . 0 0 "[ . 1 . 2]" 1
214 1 24 MET H 1 67 CYS QB . . 5.500 3.968 3.654 4.644 . 0 0 "[ . 1 . 2]" 1
215 1 24 MET H 1 68 PHE H . . 3.610 2.715 2.514 2.971 . 0 0 "[ . 1 . 2]" 1
216 1 24 MET H 1 69 ASP HA . . 3.750 3.554 2.897 3.825 0.075 17 0 "[ . 1 . 2]" 1
217 1 24 MET H 1 70 VAL H . . 5.180 4.677 4.223 5.225 0.045 12 0 "[ . 1 . 2]" 1
218 1 24 MET H 1 70 VAL QG . . 4.810 3.711 3.327 4.469 . 0 0 "[ . 1 . 2]" 1
219 1 24 MET HA 1 24 MET ME . . 3.880 3.838 3.595 3.981 0.101 2 0 "[ . 1 . 2]" 1
220 1 24 MET HA 1 24 MET HG2 . . 3.790 2.714 2.458 3.027 . 0 0 "[ . 1 . 2]" 1
221 1 24 MET HA 1 24 MET HG3 . . 3.840 3.297 3.065 3.753 . 0 0 "[ . 1 . 2]" 1
222 1 24 MET HA 1 25 ILE H . . 3.070 2.355 2.176 2.544 . 0 0 "[ . 1 . 2]" 1
223 1 24 MET HA 1 25 ILE MD . . 4.390 3.679 2.576 4.462 0.072 8 0 "[ . 1 . 2]" 1
224 1 24 MET HA 1 25 ILE QG . . 5.250 2.999 2.577 4.502 . 0 0 "[ . 1 . 2]" 1
225 1 24 MET HA 1 92 VAL HA . . 3.090 2.028 1.886 2.235 . 0 0 "[ . 1 . 2]" 1
226 1 24 MET HA 1 93 ALA H . . 3.580 2.840 2.343 3.416 . 0 0 "[ . 1 . 2]" 1
227 1 24 MET HA 1 93 ALA MB . . 4.220 3.821 3.206 4.311 0.091 20 0 "[ . 1 . 2]" 1
228 1 24 MET HB2 1 24 MET ME . . 3.650 2.960 2.579 3.463 . 0 0 "[ . 1 . 2]" 1
229 1 24 MET HB2 1 25 ILE H . . 3.470 3.150 2.632 3.515 0.045 3 0 "[ . 1 . 2]" 1
230 1 24 MET HB2 1 26 LEU QD . . 3.830 3.577 3.096 3.886 0.056 15 0 "[ . 1 . 2]" 1
231 1 24 MET HB2 1 91 SER H . . 5.220 5.247 4.924 5.310 0.090 7 0 "[ . 1 . 2]" 1
232 1 24 MET HB2 1 92 VAL HA . . 5.140 4.422 3.820 4.754 . 0 0 "[ . 1 . 2]" 1
233 1 24 MET HB3 1 24 MET ME . . 4.820 2.130 1.937 2.298 . 0 0 "[ . 1 . 2]" 1
234 1 24 MET HB3 1 25 ILE H . . 4.130 2.251 2.082 2.412 . 0 0 "[ . 1 . 2]" 1
235 1 24 MET HB3 1 79 GLN QE . . 4.370 4.199 3.693 4.325 . 0 0 "[ . 1 . 2]" 1
236 1 24 MET ME 1 24 MET HG2 . . 3.510 2.597 2.313 3.405 . 0 0 "[ . 1 . 2]" 1
237 1 24 MET ME 1 25 ILE H . . 4.210 3.714 3.389 4.088 . 0 0 "[ . 1 . 2]" 1
238 1 24 MET ME 1 26 LEU QD . . 3.550 3.605 3.442 3.646 0.096 11 0 "[ . 1 . 2]" 1
239 1 24 MET ME 1 79 GLN H . . 4.120 3.926 3.414 4.219 0.099 13 0 "[ . 1 . 2]" 1
240 1 24 MET ME 1 79 GLN HA . . 4.740 3.885 3.242 4.409 . 0 0 "[ . 1 . 2]" 1
241 1 24 MET ME 1 79 GLN QE . . 4.200 2.227 1.652 3.280 . 0 0 "[ . 1 . 2]" 1
242 1 24 MET ME 1 79 GLN HG2 . . 3.470 2.632 2.013 3.455 . 0 0 "[ . 1 . 2]" 1
243 1 24 MET ME 1 79 GLN HG3 . . 3.930 3.434 2.410 4.018 0.088 19 0 "[ . 1 . 2]" 1
244 1 24 MET ME 1 90 LEU QD . . 3.340 2.116 1.850 2.529 . 0 0 "[ . 1 . 2]" 1
245 1 24 MET ME 1 91 SER H . . 4.530 3.588 2.921 4.253 . 0 0 "[ . 1 . 2]" 1
246 1 24 MET ME 1 92 VAL HA . . 3.920 3.592 3.229 4.001 0.081 13 0 "[ . 1 . 2]" 1
247 1 24 MET ME 1 92 VAL QG . . 3.510 2.920 1.816 3.533 0.023 2 0 "[ . 1 . 2]" 1
248 1 24 MET HG2 1 25 ILE H . . 4.420 4.260 3.976 4.497 0.077 12 0 "[ . 1 . 2]" 1
249 1 24 MET HG2 1 70 VAL H . . 5.390 5.395 5.117 5.482 0.092 13 0 "[ . 1 . 2]" 1
250 1 24 MET HG2 1 70 VAL QG . . 3.660 3.243 2.819 3.698 0.038 1 0 "[ . 1 . 2]" 1
251 1 24 MET HG2 1 92 VAL HA . . 4.010 3.094 2.554 3.380 . 0 0 "[ . 1 . 2]" 1
252 1 24 MET HG2 1 92 VAL QG . . 4.470 2.246 1.905 3.173 . 0 0 "[ . 1 . 2]" 1
253 1 24 MET HG3 1 25 ILE H . . 4.660 4.740 4.709 4.753 0.093 3 0 "[ . 1 . 2]" 1
254 1 24 MET HG3 1 70 VAL QG . . 3.600 2.311 2.041 3.110 . 0 0 "[ . 1 . 2]" 1
255 1 24 MET HG3 1 92 VAL HA . . 4.420 4.415 4.045 4.512 0.092 4 0 "[ . 1 . 2]" 1
256 1 25 ILE H 1 25 ILE HB . . 3.370 2.669 2.483 2.850 . 0 0 "[ . 1 . 2]" 1
257 1 25 ILE H 1 25 ILE MD . . 4.230 3.643 2.715 3.947 . 0 0 "[ . 1 . 2]" 1
258 1 25 ILE H 1 25 ILE QG . . 4.190 2.820 2.498 3.870 . 0 0 "[ . 1 . 2]" 1
259 1 25 ILE H 1 25 ILE MG . . 4.080 3.907 3.794 3.971 . 0 0 "[ . 1 . 2]" 1
260 1 25 ILE H 1 26 LEU H . . 4.970 4.301 3.967 4.473 . 0 0 "[ . 1 . 2]" 1
261 1 25 ILE H 1 26 LEU HA . . 5.020 4.842 4.661 5.049 0.029 7 0 "[ . 1 . 2]" 1
262 1 25 ILE H 1 26 LEU QD . . 4.120 3.733 3.308 4.007 . 0 0 "[ . 1 . 2]" 1
263 1 25 ILE H 1 67 CYS HA . . 5.500 4.949 4.774 5.204 . 0 0 "[ . 1 . 2]" 1
264 1 25 ILE H 1 91 SER H . . 3.920 3.333 2.655 3.773 . 0 0 "[ . 1 . 2]" 1
265 1 25 ILE H 1 91 SER QB . . 5.010 3.672 3.242 4.416 . 0 0 "[ . 1 . 2]" 1
266 1 25 ILE H 1 92 VAL HA . . 4.090 3.053 2.712 3.695 . 0 0 "[ . 1 . 2]" 1
267 1 25 ILE HA 1 25 ILE MD . . 3.870 2.376 2.208 3.080 . 0 0 "[ . 1 . 2]" 1
268 1 25 ILE HA 1 25 ILE QG . . 3.810 3.118 2.528 3.282 . 0 0 "[ . 1 . 2]" 1
269 1 25 ILE HA 1 25 ILE MG . . 3.470 2.440 2.288 2.575 . 0 0 "[ . 1 . 2]" 1
270 1 25 ILE HA 1 26 LEU H . . 2.820 2.193 2.150 2.271 . 0 0 "[ . 1 . 2]" 1
271 1 25 ILE HA 1 26 LEU HB2 . . 5.130 4.205 4.024 4.485 . 0 0 "[ . 1 . 2]" 1
272 1 25 ILE HA 1 26 LEU QD . . 5.500 4.012 3.599 4.439 . 0 0 "[ . 1 . 2]" 1
273 1 25 ILE HA 1 67 CYS H . . 5.500 5.335 5.077 5.577 0.077 4 0 "[ . 1 . 2]" 1
274 1 25 ILE HA 1 67 CYS HA . . 3.220 2.918 2.601 3.261 0.041 12 0 "[ . 1 . 2]" 1
275 1 25 ILE HA 1 67 CYS QB . . 4.160 2.807 2.419 3.212 . 0 0 "[ . 1 . 2]" 1
276 1 25 ILE HB 1 25 ILE MD . . 3.360 3.235 2.389 3.299 . 0 0 "[ . 1 . 2]" 1
277 1 25 ILE HB 1 26 LEU H . . 4.920 4.181 3.903 4.429 . 0 0 "[ . 1 . 2]" 1
278 1 25 ILE HB 1 26 LEU HA . . 4.940 4.791 4.568 5.003 0.063 15 0 "[ . 1 . 2]" 1
279 1 25 ILE HB 1 91 SER H . . 4.200 3.910 3.139 4.276 0.076 14 0 "[ . 1 . 2]" 1
280 1 25 ILE HB 1 91 SER QB . . 4.500 2.235 1.992 3.262 . 0 0 "[ . 1 . 2]" 1
281 1 25 ILE MD 1 26 LEU H . . 4.720 4.126 3.705 4.814 0.094 3 0 "[ . 1 . 2]" 1
282 1 25 ILE MD 1 67 CYS HA . . 4.900 3.863 3.129 4.600 . 0 0 "[ . 1 . 2]" 1
283 1 25 ILE MD 1 67 CYS QB . . 4.360 2.450 2.002 3.139 . 0 0 "[ . 1 . 2]" 1
284 1 25 ILE MD 1 68 PHE H . . 4.690 4.286 3.896 4.781 0.091 8 0 "[ . 1 . 2]" 1
285 1 25 ILE MD 1 93 ALA HA . . 3.660 3.553 3.059 3.766 0.106 8 0 "[ . 1 . 2]" 1
286 1 25 ILE QG 1 26 LEU H . . 4.880 4.815 4.028 4.969 0.089 14 0 "[ . 1 . 2]" 1
287 1 25 ILE QG 1 93 ALA HA . . 4.700 3.326 2.794 4.763 0.063 3 0 "[ . 1 . 2]" 1
288 1 25 ILE MG 1 26 LEU H . . 3.690 2.848 2.423 3.282 . 0 0 "[ . 1 . 2]" 1
289 1 25 ILE MG 1 26 LEU HA . . 4.460 3.896 3.602 4.126 . 0 0 "[ . 1 . 2]" 1
290 1 25 ILE MG 1 27 GLN HB3 . . 5.500 5.168 4.577 5.578 0.078 20 0 "[ . 1 . 2]" 1
291 1 25 ILE MG 1 27 GLN QE . . 4.960 4.056 2.858 4.785 . 0 0 "[ . 1 . 2]" 1
292 1 25 ILE MG 1 27 GLN HG2 . . 3.820 2.944 2.145 3.890 0.070 5 0 "[ . 1 . 2]" 1
293 1 25 ILE MG 1 27 GLN HG3 . . 3.800 3.222 2.160 3.932 0.132 14 0 "[ . 1 . 2]" 1
294 1 25 ILE MG 1 67 CYS HA . . 4.840 4.580 4.130 4.935 0.095 12 0 "[ . 1 . 2]" 1
295 1 25 ILE MG 1 91 SER QB . . 5.500 3.173 2.523 4.242 . 0 0 "[ . 1 . 2]" 1
296 1 26 LEU H 1 26 LEU HB2 . . 3.560 2.411 2.213 2.595 . 0 0 "[ . 1 . 2]" 1
297 1 26 LEU H 1 26 LEU HB3 . . 3.890 3.362 3.069 3.547 . 0 0 "[ . 1 . 2]" 1
298 1 26 LEU H 1 26 LEU QD . . 4.770 3.238 2.858 3.558 . 0 0 "[ . 1 . 2]" 1
299 1 26 LEU H 1 26 LEU HG . . 5.460 4.635 4.408 4.896 . 0 0 "[ . 1 . 2]" 1
300 1 26 LEU H 1 27 GLN H . . 5.170 4.366 3.909 4.606 . 0 0 "[ . 1 . 2]" 1
301 1 26 LEU H 1 66 VAL H . . 4.010 3.152 2.930 3.588 . 0 0 "[ . 1 . 2]" 1
302 1 26 LEU H 1 67 CYS HA . . 3.380 3.197 2.962 3.460 0.080 15 0 "[ . 1 . 2]" 1
303 1 26 LEU H 1 68 PHE H . . 5.290 5.293 5.062 5.375 0.085 11 0 "[ . 1 . 2]" 1
304 1 26 LEU HA 1 26 LEU QD . . 3.020 2.139 1.882 2.499 . 0 0 "[ . 1 . 2]" 1
305 1 26 LEU HA 1 27 GLN H . . 2.910 2.217 2.126 2.326 . 0 0 "[ . 1 . 2]" 1
306 1 26 LEU HA 1 90 LEU QD . . 4.110 3.022 2.708 3.633 . 0 0 "[ . 1 . 2]" 1
307 1 26 LEU HB2 1 66 VAL H . . 4.610 3.138 2.439 4.152 . 0 0 "[ . 1 . 2]" 1
308 1 26 LEU HB2 1 66 VAL QG . . 3.530 2.245 2.067 2.853 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU HB3 1 27 GLN H . . 4.610 3.546 2.833 4.026 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU HB3 1 66 VAL H . . 5.060 3.041 2.693 3.373 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU HB3 1 66 VAL QG . . 3.750 2.406 2.044 3.667 . 0 0 "[ . 1 . 2]" 1
312 1 26 LEU QD 1 27 GLN H . . 4.650 3.110 2.116 4.185 . 0 0 "[ . 1 . 2]" 1
313 1 26 LEU QD 1 38 ALA HA . . 3.990 3.625 2.856 3.976 . 0 0 "[ . 1 . 2]" 1
314 1 26 LEU QD 1 38 ALA MB . . 3.890 2.767 2.005 3.632 . 0 0 "[ . 1 . 2]" 1
315 1 26 LEU QD 1 42 LEU H . . 4.820 4.474 4.062 4.813 . 0 0 "[ . 1 . 2]" 1
316 1 26 LEU QD 1 42 LEU QD . . 4.210 1.965 1.832 2.221 . 0 0 "[ . 1 . 2]" 1
317 1 26 LEU QD 1 66 VAL H . . 5.450 4.211 3.941 4.427 . 0 0 "[ . 1 . 2]" 1
318 1 26 LEU QD 1 66 VAL QG . . 4.210 2.734 1.996 3.233 . 0 0 "[ . 1 . 2]" 1
319 1 26 LEU QD 1 67 CYS HA . . 5.500 3.966 3.444 4.486 . 0 0 "[ . 1 . 2]" 1
320 1 26 LEU QD 1 88 TRP HB3 . . 5.500 3.801 3.000 5.039 . 0 0 "[ . 1 . 2]" 1
321 1 26 LEU QD 1 88 TRP HE3 . . 3.940 2.442 1.829 3.557 . 0 0 "[ . 1 . 2]" 1
322 1 26 LEU QD 1 88 TRP HH2 . . 4.440 4.251 3.668 4.551 0.111 15 0 "[ . 1 . 2]" 1
323 1 26 LEU QD 1 88 TRP HZ3 . . 3.910 2.369 2.114 2.558 . 0 0 "[ . 1 . 2]" 1
324 1 26 LEU QD 1 90 LEU HA . . 3.460 2.798 2.533 3.277 . 0 0 "[ . 1 . 2]" 1
325 1 26 LEU QD 1 90 LEU QD . . 3.110 1.775 1.619 2.015 . 0 0 "[ . 1 . 2]" 1
326 1 26 LEU QD 1 90 LEU HG . . 3.950 3.174 2.075 3.958 0.008 12 0 "[ . 1 . 2]" 1
327 1 26 LEU QD 1 91 SER H . . 3.500 3.461 2.928 3.583 0.083 7 0 "[ . 1 . 2]" 1
328 1 26 LEU HG 1 27 GLN H . . 4.850 4.362 3.176 4.911 0.061 18 0 "[ . 1 . 2]" 1
329 1 26 LEU HG 1 38 ALA MB . . 5.500 3.537 2.305 4.880 . 0 0 "[ . 1 . 2]" 1
330 1 26 LEU HG 1 88 TRP HE3 . . 3.650 3.438 2.765 3.752 0.102 4 0 "[ . 1 . 2]" 1
331 1 26 LEU HG 1 88 TRP HZ3 . . 3.660 3.403 2.872 3.736 0.076 3 0 "[ . 1 . 2]" 1
332 1 26 LEU HG 1 90 LEU QD . . 3.590 2.899 2.020 3.558 . 0 0 "[ . 1 . 2]" 1
333 1 27 GLN H 1 27 GLN HB2 . . 3.470 2.634 2.372 2.987 . 0 0 "[ . 1 . 2]" 1
334 1 27 GLN H 1 27 GLN HG2 . . 4.320 3.525 2.866 4.429 0.109 5 0 "[ . 1 . 2]" 1
335 1 27 GLN H 1 27 GLN HG3 . . 4.340 3.692 2.607 4.398 0.058 7 0 "[ . 1 . 2]" 1
336 1 27 GLN H 1 28 CYS H . . 5.500 4.324 4.023 4.567 . 0 0 "[ . 1 . 2]" 1
337 1 27 GLN H 1 88 TRP HA . . 5.060 4.668 4.199 5.099 0.039 8 0 "[ . 1 . 2]" 1
338 1 27 GLN H 1 88 TRP HE3 . . 5.430 4.231 3.225 4.888 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLN H 1 89 GLN H . . 3.730 3.427 3.035 3.753 0.023 17 0 "[ . 1 . 2]" 1
340 1 27 GLN HA 1 27 GLN HG2 . . 3.990 2.654 2.329 3.442 . 0 0 "[ . 1 . 2]" 1
341 1 27 GLN HA 1 27 GLN HG3 . . 3.880 3.547 2.416 3.815 . 0 0 "[ . 1 . 2]" 1
342 1 27 GLN HA 1 28 CYS H . . 3.300 2.208 2.007 2.351 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLN HB2 1 28 CYS H . . 4.340 4.112 3.599 4.379 0.039 2 0 "[ . 1 . 2]" 1
344 1 27 GLN HB2 1 89 GLN H . . 4.800 3.646 2.890 4.868 0.068 13 0 "[ . 1 . 2]" 1
345 1 27 GLN HB3 1 27 GLN HG2 . . 2.910 2.820 2.211 3.054 0.144 19 0 "[ . 1 . 2]" 1
346 1 27 GLN HB3 1 28 CYS H . . 4.730 3.116 2.516 3.597 . 0 0 "[ . 1 . 2]" 1
347 1 27 GLN QE 1 28 CYS H . . 5.500 4.144 2.792 5.323 . 0 0 "[ . 1 . 2]" 1
348 1 27 GLN QE 1 60 LEU MD1 . . 4.670 3.504 1.954 4.331 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLN HG2 1 28 CYS H . . 4.800 4.595 3.951 4.888 0.088 9 0 "[ . 1 . 2]" 1
350 1 27 GLN HG3 1 28 CYS H . . 5.500 5.248 4.397 5.570 0.070 9 0 "[ . 1 . 2]" 1
351 1 27 GLN HG3 1 60 LEU MD1 . . 5.120 4.572 2.897 5.191 0.071 11 0 "[ . 1 . 2]" 1
352 1 28 CYS H 1 28 CYS QB . . 3.550 2.913 2.431 3.269 . 0 0 "[ . 1 . 2]" 1
353 1 28 CYS H 1 32 MET ME . . 4.710 4.504 3.895 4.799 0.089 1 0 "[ . 1 . 2]" 1
354 1 28 CYS H 1 32 MET QG . . 5.500 5.340 4.853 5.589 0.089 19 0 "[ . 1 . 2]" 1
355 1 28 CYS H 1 60 LEU MD1 . . 5.500 5.415 5.029 5.606 0.106 16 0 "[ . 1 . 2]" 1
356 1 28 CYS H 1 64 LEU HB2 . . 5.180 4.564 4.041 5.228 0.048 9 0 "[ . 1 . 2]" 1
357 1 28 CYS H 1 65 GLY H . . 5.330 5.015 4.443 5.413 0.083 19 0 "[ . 1 . 2]" 1
358 1 28 CYS H 1 65 GLY HA3 . . 4.410 4.007 3.522 4.377 . 0 0 "[ . 1 . 2]" 1
359 1 28 CYS HA 1 29 SER H . . 2.960 2.334 2.143 2.637 . 0 0 "[ . 1 . 2]" 1
360 1 28 CYS HA 1 29 SER HA . . 5.020 4.427 4.317 4.541 . 0 0 "[ . 1 . 2]" 1
361 1 28 CYS HA 1 30 ILE H . . 4.320 4.111 3.795 4.382 0.062 18 0 "[ . 1 . 2]" 1
362 1 28 CYS HA 1 88 TRP HA . . 3.700 2.767 2.165 3.267 . 0 0 "[ . 1 . 2]" 1
363 1 28 CYS HA 1 88 TRP HE3 . . 4.670 4.394 3.616 4.751 0.081 17 0 "[ . 1 . 2]" 1
364 1 28 CYS HA 1 89 GLN H . . 4.560 3.948 3.243 4.635 0.075 20 0 "[ . 1 . 2]" 1
365 1 28 CYS QB 1 29 SER H . . 4.240 3.057 2.401 3.749 . 0 0 "[ . 1 . 2]" 1
366 1 28 CYS QB 1 30 ILE H . . 3.930 2.741 2.424 3.435 . 0 0 "[ . 1 . 2]" 1
367 1 28 CYS QB 1 64 LEU HA . . 4.560 4.288 3.179 4.660 0.100 14 0 "[ . 1 . 2]" 1
368 1 28 CYS QB 1 88 TRP HE3 . . 4.290 3.510 2.965 4.152 . 0 0 "[ . 1 . 2]" 1
369 1 28 CYS QB 1 88 TRP HZ3 . . 3.730 3.367 2.886 3.776 0.046 13 0 "[ . 1 . 2]" 1
370 1 29 SER H 1 29 SER QB . . 3.230 2.359 2.015 2.776 . 0 0 "[ . 1 . 2]" 1
371 1 29 SER H 1 30 ILE H . . 3.320 3.001 2.558 3.345 0.025 12 0 "[ . 1 . 2]" 1
372 1 29 SER H 1 30 ILE QG . . 5.500 3.630 2.932 4.106 . 0 0 "[ . 1 . 2]" 1
373 1 29 SER H 1 30 ILE MG . . 4.940 4.060 3.476 4.625 . 0 0 "[ . 1 . 2]" 1
374 1 29 SER H 1 87 ARG HA . . 3.960 3.852 3.335 4.049 0.089 15 0 "[ . 1 . 2]" 1
375 1 29 SER H 1 87 ARG QD . . 4.550 3.672 2.838 4.365 . 0 0 "[ . 1 . 2]" 1
376 1 29 SER H 1 87 ARG HG2 . . 4.380 2.424 1.932 3.465 . 0 0 "[ . 1 . 2]" 1
377 1 29 SER H 1 88 TRP HA . . 4.710 4.234 3.619 4.752 0.042 17 0 "[ . 1 . 2]" 1
378 1 29 SER HA 1 29 SER QB . . 2.760 2.386 2.095 2.569 . 0 0 "[ . 1 . 2]" 1
379 1 29 SER QB 1 30 ILE H . . 4.310 3.868 3.369 4.077 . 0 0 "[ . 1 . 2]" 1
380 1 29 SER QB 1 30 ILE MG . . 5.440 3.309 2.280 3.994 . 0 0 "[ . 1 . 2]" 1
381 1 29 SER QB 1 87 ARG HA . . 3.520 3.202 2.256 3.597 0.077 6 0 "[ . 1 . 2]" 1
382 1 30 ILE H 1 30 ILE HB . . 4.020 3.910 3.784 4.005 . 0 0 "[ . 1 . 2]" 1
383 1 30 ILE H 1 30 ILE MD . . 4.270 4.042 2.888 4.364 0.094 19 0 "[ . 1 . 2]" 1
384 1 30 ILE H 1 30 ILE QG . . 3.870 2.564 2.327 2.731 . 0 0 "[ . 1 . 2]" 1
385 1 30 ILE H 1 30 ILE MG . . 3.410 3.320 3.052 3.518 0.108 15 0 "[ . 1 . 2]" 1
386 1 30 ILE H 1 31 GLU H . . 4.600 4.317 4.201 4.421 . 0 0 "[ . 1 . 2]" 1
387 1 30 ILE H 1 31 GLU HA . . 5.080 4.778 4.591 5.001 . 0 0 "[ . 1 . 2]" 1
388 1 30 ILE H 1 64 LEU HB3 . . 3.840 3.886 3.612 3.932 0.092 8 0 "[ . 1 . 2]" 1
389 1 30 ILE H 1 64 LEU QD . . 4.060 3.389 2.158 3.963 . 0 0 "[ . 1 . 2]" 1
390 1 30 ILE H 1 87 ARG QD . . 4.910 4.234 3.482 4.803 . 0 0 "[ . 1 . 2]" 1
391 1 30 ILE H 1 87 ARG HG2 . . 5.200 4.387 3.910 5.220 0.020 12 0 "[ . 1 . 2]" 1
392 1 30 ILE HA 1 30 ILE MG . . 3.150 2.299 2.174 2.463 . 0 0 "[ . 1 . 2]" 1
393 1 30 ILE HA 1 31 GLU H . . 2.790 2.442 2.262 2.646 . 0 0 "[ . 1 . 2]" 1
394 1 30 ILE HA 1 64 LEU QD . . 3.830 3.209 2.833 3.648 . 0 0 "[ . 1 . 2]" 1
395 1 30 ILE HB 1 30 ILE MD . . 3.270 2.347 2.253 2.447 . 0 0 "[ . 1 . 2]" 1
396 1 30 ILE HB 1 31 GLU H . . 2.820 2.405 2.176 2.772 . 0 0 "[ . 1 . 2]" 1
397 1 30 ILE MD 1 31 GLU H . . 4.760 3.903 2.854 4.675 . 0 0 "[ . 1 . 2]" 1
398 1 30 ILE MD 1 87 ARG QD . . 4.290 2.809 2.074 3.711 . 0 0 "[ . 1 . 2]" 1
399 1 30 ILE QG 1 31 GLU H . . 4.550 3.758 3.168 4.421 . 0 0 "[ . 1 . 2]" 1
400 1 30 ILE QG 1 87 ARG QD . . 5.500 2.273 1.918 2.815 . 0 0 "[ . 1 . 2]" 1
401 1 30 ILE MG 1 31 GLU H . . 3.880 3.606 3.387 3.858 . 0 0 "[ . 1 . 2]" 1
402 1 31 GLU H 1 31 GLU HB2 . . 3.310 2.404 2.039 2.648 . 0 0 "[ . 1 . 2]" 1
403 1 31 GLU H 1 31 GLU HB3 . . 3.290 2.675 2.247 3.361 0.071 4 0 "[ . 1 . 2]" 1
404 1 31 GLU H 1 31 GLU HG2 . . 4.560 4.422 4.072 4.533 . 0 0 "[ . 1 . 2]" 1
405 1 31 GLU H 1 31 GLU HG3 . . 4.550 4.271 2.935 4.568 0.018 16 0 "[ . 1 . 2]" 1
406 1 31 GLU H 1 32 MET H . . 5.190 4.555 4.460 4.657 . 0 0 "[ . 1 . 2]" 1
407 1 31 GLU H 1 64 LEU HA . . 5.350 5.148 4.672 5.414 0.064 1 0 "[ . 1 . 2]" 1
408 1 31 GLU H 1 64 LEU QD . . 3.850 3.234 2.873 3.485 . 0 0 "[ . 1 . 2]" 1
409 1 31 GLU HA 1 31 GLU HG2 . . 4.020 2.847 2.092 3.485 . 0 0 "[ . 1 . 2]" 1
410 1 31 GLU HA 1 31 GLU HG3 . . 3.690 2.606 2.190 3.401 . 0 0 "[ . 1 . 2]" 1
411 1 31 GLU HA 1 32 MET H . . 2.840 2.156 2.033 2.240 . 0 0 "[ . 1 . 2]" 1
412 1 31 GLU HA 1 32 MET HA . . 4.340 4.413 4.386 4.423 0.083 19 0 "[ . 1 . 2]" 1
413 1 31 GLU HA 1 32 MET QG . . 4.870 4.111 3.577 4.732 . 0 0 "[ . 1 . 2]" 1
414 1 31 GLU HA 1 64 LEU HA . . 3.610 2.972 2.325 3.395 . 0 0 "[ . 1 . 2]" 1
415 1 31 GLU HA 1 64 LEU QD . . 3.410 2.133 1.779 2.716 . 0 0 "[ . 1 . 2]" 1
416 1 31 GLU HA 1 64 LEU HG . . 4.400 4.168 3.220 4.494 0.094 1 0 "[ . 1 . 2]" 1
417 1 31 GLU HB2 1 32 MET H . . 4.390 4.267 4.109 4.442 0.052 11 0 "[ . 1 . 2]" 1
418 1 31 GLU HB2 1 64 LEU QD . . 4.710 3.122 2.501 3.865 . 0 0 "[ . 1 . 2]" 1
419 1 31 GLU HB3 1 32 MET H . . 3.980 3.866 3.152 4.062 0.082 16 0 "[ . 1 . 2]" 1
420 1 31 GLU HB3 1 32 MET HA . . 4.680 4.608 4.051 4.757 0.077 8 0 "[ . 1 . 2]" 1
421 1 31 GLU HB3 1 33 PRO HD3 . . 3.400 2.832 2.305 3.455 0.055 13 0 "[ . 1 . 2]" 1
422 1 31 GLU HB3 1 64 LEU QD . . 4.930 4.119 3.679 4.565 . 0 0 "[ . 1 . 2]" 1
423 1 31 GLU HG2 1 32 MET H . . 4.470 2.886 2.322 4.273 . 0 0 "[ . 1 . 2]" 1
424 1 31 GLU HG3 1 32 MET H . . 4.270 3.432 2.688 4.480 0.210 3 0 "[ . 1 . 2]" 1
425 1 31 GLU HG3 1 64 LEU QD . . 5.160 3.101 2.131 4.507 . 0 0 "[ . 1 . 2]" 1
426 1 32 MET H 1 32 MET HB2 . . 3.410 2.439 2.314 2.547 . 0 0 "[ . 1 . 2]" 1
427 1 32 MET H 1 32 MET HB3 . . 3.760 3.646 3.567 3.721 . 0 0 "[ . 1 . 2]" 1
428 1 32 MET H 1 32 MET ME . . 4.270 4.061 3.519 4.362 0.092 6 0 "[ . 1 . 2]" 1
429 1 32 MET H 1 32 MET QG . . 3.490 3.007 2.661 3.575 0.085 17 0 "[ . 1 . 2]" 1
430 1 32 MET H 1 59 PHE QE . . 4.050 3.873 3.472 4.138 0.088 20 0 "[ . 1 . 2]" 1
431 1 32 MET H 1 64 LEU HA . . 4.380 3.383 3.024 3.843 . 0 0 "[ . 1 . 2]" 1
432 1 32 MET H 1 64 LEU QD . . 4.460 3.621 2.800 4.429 . 0 0 "[ . 1 . 2]" 1
433 1 32 MET H 1 65 GLY H . . 4.760 4.735 4.363 4.857 0.097 11 0 "[ . 1 . 2]" 1
434 1 32 MET HA 1 32 MET QG . . 3.440 2.273 2.053 2.401 . 0 0 "[ . 1 . 2]" 1
435 1 32 MET HA 1 33 PRO HD2 . . 3.080 2.098 2.059 2.154 . 0 0 "[ . 1 . 2]" 1
436 1 32 MET HA 1 33 PRO HD3 . . 3.270 3.046 2.580 3.178 . 0 0 "[ . 1 . 2]" 1
437 1 32 MET HA 1 34 ASN H . . 4.760 3.281 3.092 3.610 . 0 0 "[ . 1 . 2]" 1
438 1 32 MET HB2 1 37 TYR HB2 . . 4.950 4.455 4.078 4.873 . 0 0 "[ . 1 . 2]" 1
439 1 32 MET HB2 1 37 TYR HB3 . . 5.090 5.058 4.664 5.175 0.085 2 0 "[ . 1 . 2]" 1
440 1 32 MET HB2 1 59 PHE QE . . 3.490 2.189 2.017 2.431 . 0 0 "[ . 1 . 2]" 1
441 1 32 MET HB3 1 33 PRO HD2 . . 5.500 4.248 4.095 4.390 . 0 0 "[ . 1 . 2]" 1
442 1 32 MET HB3 1 34 ASN H . . 3.690 3.407 3.116 3.751 0.061 14 0 "[ . 1 . 2]" 1
443 1 32 MET HB3 1 34 ASN HA . . 5.500 5.030 4.676 5.567 0.067 3 0 "[ . 1 . 2]" 1
444 1 32 MET ME 1 38 ALA H . . 4.720 4.085 3.500 4.659 . 0 0 "[ . 1 . 2]" 1
445 1 32 MET ME 1 38 ALA HA . . 5.500 4.549 4.123 5.161 . 0 0 "[ . 1 . 2]" 1
446 1 32 MET ME 1 38 ALA MB . . 3.480 2.707 2.353 3.210 . 0 0 "[ . 1 . 2]" 1
447 1 32 MET ME 1 59 PHE QD . . 3.630 3.386 2.502 3.717 0.087 6 0 "[ . 1 . 2]" 1
448 1 32 MET ME 1 65 GLY H . . 3.090 2.999 2.568 3.186 0.096 3 0 "[ . 1 . 2]" 1
449 1 32 MET ME 1 65 GLY HA2 . . 4.020 2.409 2.120 2.781 . 0 0 "[ . 1 . 2]" 1
450 1 32 MET ME 1 65 GLY HA3 . . 3.510 3.705 3.538 4.000 0.490 19 0 "[ . 1 . 2]" 1
451 1 32 MET ME 1 66 VAL H . . 4.140 3.116 2.787 3.394 . 0 0 "[ . 1 . 2]" 1
452 1 32 MET ME 1 66 VAL HB . . 3.130 2.589 2.021 3.276 0.146 4 0 "[ . 1 . 2]" 1
453 1 32 MET ME 1 66 VAL QG . . 3.260 1.942 1.534 2.278 . 0 0 "[ . 1 . 2]" 1
454 1 32 MET ME 1 88 TRP HH2 . . 3.840 3.582 2.451 3.935 0.095 18 0 "[ . 1 . 2]" 1
455 1 32 MET ME 1 88 TRP HZ3 . . 3.910 3.442 2.853 3.944 0.034 18 0 "[ . 1 . 2]" 1
456 1 32 MET QG 1 33 PRO HD3 . . 5.050 4.875 4.285 5.119 0.069 4 0 "[ . 1 . 2]" 1
457 1 32 MET QG 1 34 ASN H . . 4.830 4.580 3.978 4.915 0.085 13 0 "[ . 1 . 2]" 1
458 1 32 MET QG 1 37 TYR HB2 . . 4.720 2.582 2.110 3.464 . 0 0 "[ . 1 . 2]" 1
459 1 32 MET QG 1 37 TYR HB3 . . 4.070 2.395 2.201 2.982 . 0 0 "[ . 1 . 2]" 1
460 1 32 MET QG 1 37 TYR QD . . 3.860 3.278 2.954 3.830 . 0 0 "[ . 1 . 2]" 1
461 1 32 MET QG 1 64 LEU HA . . 4.670 3.784 3.097 4.538 . 0 0 "[ . 1 . 2]" 1
462 1 32 MET QG 1 88 TRP HH2 . . 4.060 3.154 2.652 4.022 . 0 0 "[ . 1 . 2]" 1
463 1 32 MET QG 1 88 TRP HZ2 . . 4.870 4.026 3.435 4.643 . 0 0 "[ . 1 . 2]" 1
464 1 33 PRO HB2 1 34 ASN H . . 3.930 3.696 3.358 3.913 . 0 0 "[ . 1 . 2]" 1
465 1 33 PRO HB2 1 34 ASN HB3 . . 4.720 4.308 3.766 4.790 0.070 5 0 "[ . 1 . 2]" 1
466 1 33 PRO HB2 1 37 TYR QD . . 5.440 5.404 5.083 5.527 0.087 1 0 "[ . 1 . 2]" 1
467 1 33 PRO HB2 1 37 TYR QE . . 4.620 4.625 4.342 4.709 0.089 11 0 "[ . 1 . 2]" 1
468 1 33 PRO HB3 1 34 ASN H . . 4.460 4.393 4.169 4.503 0.043 19 0 "[ . 1 . 2]" 1
469 1 33 PRO HB3 1 37 TYR QE . . 5.140 5.074 4.902 5.212 0.072 15 0 "[ . 1 . 2]" 1
470 1 33 PRO HD2 1 34 ASN H . . 4.410 2.975 2.484 3.132 . 0 0 "[ . 1 . 2]" 1
471 1 33 PRO HD2 1 37 TYR QE . . 4.630 2.471 2.155 3.219 . 0 0 "[ . 1 . 2]" 1
472 1 33 PRO HD3 1 34 ASN H . . 4.020 4.028 3.766 4.090 0.070 8 0 "[ . 1 . 2]" 1
473 1 33 PRO HD3 1 37 TYR QD . . 5.500 4.663 4.106 5.037 . 0 0 "[ . 1 . 2]" 1
474 1 33 PRO HD3 1 37 TYR QE . . 4.990 3.862 3.181 4.299 . 0 0 "[ . 1 . 2]" 1
475 1 33 PRO HG2 1 34 ASN H . . 4.390 2.811 2.311 3.022 . 0 0 "[ . 1 . 2]" 1
476 1 33 PRO HG2 1 34 ASN HD21 . . 4.940 3.272 2.507 4.630 . 0 0 "[ . 1 . 2]" 1
477 1 33 PRO HG2 1 34 ASN HD22 . . 5.160 3.396 2.885 3.762 . 0 0 "[ . 1 . 2]" 1
478 1 33 PRO HG2 1 37 TYR QE . . 5.070 2.317 2.133 2.494 . 0 0 "[ . 1 . 2]" 1
479 1 33 PRO HG3 1 34 ASN H . . 4.170 4.295 3.894 4.453 0.283 1 0 "[ . 1 . 2]" 1
480 1 33 PRO HG3 1 37 TYR QE . . 4.650 3.206 2.821 3.443 . 0 0 "[ . 1 . 2]" 1
481 1 34 ASN H 1 34 ASN HB3 . . 3.990 3.521 3.272 3.882 . 0 0 "[ . 1 . 2]" 1
482 1 34 ASN H 1 35 ILE H . . 4.740 4.261 4.096 4.383 . 0 0 "[ . 1 . 2]" 1
483 1 34 ASN H 1 36 SER H . . 5.250 4.921 4.684 5.107 . 0 0 "[ . 1 . 2]" 1
484 1 34 ASN H 1 37 TYR HB2 . . 4.130 3.984 3.618 4.197 0.067 14 0 "[ . 1 . 2]" 1
485 1 34 ASN H 1 37 TYR QD . . 3.020 2.557 2.339 2.932 . 0 0 "[ . 1 . 2]" 1
486 1 34 ASN H 1 37 TYR QE . . 4.060 3.635 3.256 4.131 0.071 8 0 "[ . 1 . 2]" 1
487 1 34 ASN HA 1 35 ILE H . . 2.990 2.173 1.987 2.320 . 0 0 "[ . 1 . 2]" 1
488 1 34 ASN HA 1 35 ILE MG . . 4.470 3.872 3.504 4.313 . 0 0 "[ . 1 . 2]" 1
489 1 34 ASN HA 1 59 PHE HZ . . 3.570 3.279 2.720 3.603 0.033 14 0 "[ . 1 . 2]" 1
490 1 34 ASN HB2 1 35 ILE H . . 3.400 2.793 2.459 3.452 0.052 5 0 "[ . 1 . 2]" 1
491 1 34 ASN HB2 1 35 ILE MG . . 5.440 3.530 3.057 3.937 . 0 0 "[ . 1 . 2]" 1
492 1 34 ASN HB2 1 36 SER H . . 4.010 2.643 2.362 3.398 . 0 0 "[ . 1 . 2]" 1
493 1 34 ASN HB3 1 34 ASN HD21 . . 3.470 2.725 2.163 3.555 0.085 14 0 "[ . 1 . 2]" 1
494 1 34 ASN HB3 1 34 ASN HD22 . . 4.010 3.739 3.511 4.087 0.077 10 0 "[ . 1 . 2]" 1
495 1 34 ASN HB3 1 35 ILE H . . 3.720 3.751 3.322 3.803 0.083 11 0 "[ . 1 . 2]" 1
496 1 34 ASN HB3 1 36 SER H . . 4.560 4.229 3.669 4.618 0.058 15 0 "[ . 1 . 2]" 1
497 1 34 ASN HB3 1 36 SER QB . . 5.300 4.724 3.987 5.364 0.064 13 0 "[ . 1 . 2]" 1
498 1 34 ASN HD21 1 35 ILE H . . 5.500 5.258 4.127 5.581 0.081 9 0 "[ . 1 . 2]" 1
499 1 34 ASN HD21 1 36 SER H . . 5.410 4.596 2.870 5.461 0.051 12 0 "[ . 1 . 2]" 1
500 1 34 ASN HD22 1 36 SER H . . 5.500 4.994 4.243 5.568 0.068 5 0 "[ . 1 . 2]" 1
501 1 34 ASN HD22 1 36 SER QB . . 5.500 4.000 3.116 4.724 . 0 0 "[ . 1 . 2]" 1
502 1 34 ASN HD22 1 37 TYR QD . . 3.280 2.966 2.537 3.361 0.081 13 0 "[ . 1 . 2]" 1
503 1 34 ASN HD22 1 37 TYR QE . . 4.040 2.750 2.355 3.446 . 0 0 "[ . 1 . 2]" 1
504 1 35 ILE H 1 35 ILE HB . . 3.190 2.302 2.165 2.418 . 0 0 "[ . 1 . 2]" 1
505 1 35 ILE H 1 35 ILE MD . . 4.780 4.174 3.975 4.332 . 0 0 "[ . 1 . 2]" 1
506 1 35 ILE H 1 35 ILE HG13 . . 4.220 4.275 4.221 4.300 0.080 3 0 "[ . 1 . 2]" 1
507 1 35 ILE H 1 35 ILE MG . . 3.370 2.110 1.834 2.395 . 0 0 "[ . 1 . 2]" 1
508 1 35 ILE H 1 36 SER H . . 3.560 2.829 2.622 3.134 . 0 0 "[ . 1 . 2]" 1
509 1 35 ILE H 1 37 TYR H . . 5.170 4.546 4.396 4.688 . 0 0 "[ . 1 . 2]" 1
510 1 35 ILE H 1 59 PHE QD . . 5.410 5.395 4.625 5.505 0.095 8 0 "[ . 1 . 2]" 1
511 1 35 ILE H 1 59 PHE QE . . 4.640 3.174 2.484 3.432 . 0 0 "[ . 1 . 2]" 1
512 1 35 ILE H 1 59 PHE HZ . . 3.910 3.223 2.550 3.526 . 0 0 "[ . 1 . 2]" 1
513 1 35 ILE HA 1 35 ILE MD . . 3.960 3.591 3.126 3.755 . 0 0 "[ . 1 . 2]" 1
514 1 35 ILE HA 1 35 ILE HG12 . . 3.460 3.253 3.022 3.526 0.066 15 0 "[ . 1 . 2]" 1
515 1 35 ILE HA 1 35 ILE HG13 . . 3.770 2.313 2.189 2.398 . 0 0 "[ . 1 . 2]" 1
516 1 35 ILE HA 1 35 ILE MG . . 3.430 3.272 3.249 3.294 . 0 0 "[ . 1 . 2]" 1
517 1 35 ILE HA 1 37 TYR H . . 3.820 3.725 3.514 3.885 0.065 18 0 "[ . 1 . 2]" 1
518 1 35 ILE HA 1 38 ALA H . . 3.820 3.674 3.333 3.904 0.084 15 0 "[ . 1 . 2]" 1
519 1 35 ILE HA 1 59 PHE HZ . . 3.940 2.910 2.222 3.418 . 0 0 "[ . 1 . 2]" 1
520 1 35 ILE HA 1 66 VAL QG . . 4.650 3.582 3.010 4.064 . 0 0 "[ . 1 . 2]" 1
521 1 35 ILE HB 1 35 ILE MD . . 3.440 2.262 2.162 2.329 . 0 0 "[ . 1 . 2]" 1
522 1 35 ILE HB 1 36 SER H . . 4.800 4.178 3.986 4.323 . 0 0 "[ . 1 . 2]" 1
523 1 35 ILE HB 1 59 PHE QD . . 4.220 4.008 3.324 4.304 0.084 13 0 "[ . 1 . 2]" 1
524 1 35 ILE HB 1 59 PHE QE . . 4.070 2.297 2.097 2.810 . 0 0 "[ . 1 . 2]" 1
525 1 35 ILE HB 1 59 PHE HZ . . 3.860 3.474 2.822 3.817 . 0 0 "[ . 1 . 2]" 1
526 1 35 ILE MD 1 35 ILE MG . . 3.130 2.213 2.108 2.714 . 0 0 "[ . 1 . 2]" 1
527 1 35 ILE MD 1 36 SER H . . 5.500 5.213 4.926 5.458 . 0 0 "[ . 1 . 2]" 1
528 1 35 ILE MD 1 39 TRP HD1 . . 4.770 4.290 3.993 4.762 . 0 0 "[ . 1 . 2]" 1
529 1 35 ILE MD 1 39 TRP HE1 . . 4.480 3.123 2.644 3.583 . 0 0 "[ . 1 . 2]" 1
530 1 35 ILE MD 1 39 TRP HZ2 . . 4.700 4.426 3.759 4.792 0.092 20 0 "[ . 1 . 2]" 1
531 1 35 ILE MD 1 57 MET HA . . 5.390 4.393 4.022 4.994 . 0 0 "[ . 1 . 2]" 1
532 1 35 ILE MD 1 57 MET HG2 . . 3.590 2.290 2.078 2.641 . 0 0 "[ . 1 . 2]" 1
533 1 35 ILE MD 1 57 MET HG3 . . 4.930 3.737 3.531 3.984 . 0 0 "[ . 1 . 2]" 1
534 1 35 ILE MD 1 58 VAL H . . 5.500 4.211 3.538 4.861 . 0 0 "[ . 1 . 2]" 1
535 1 35 ILE MD 1 58 VAL HA . . 3.980 3.489 2.580 4.078 0.098 19 0 "[ . 1 . 2]" 1
536 1 35 ILE MD 1 59 PHE H . . 4.420 4.258 3.575 4.525 0.105 15 0 "[ . 1 . 2]" 1
537 1 35 ILE MD 1 59 PHE HB2 . . 5.230 5.093 4.686 5.331 0.101 11 0 "[ . 1 . 2]" 1
538 1 35 ILE MD 1 66 VAL HB . . 4.940 4.612 3.718 5.044 0.104 13 0 "[ . 1 . 2]" 1
539 1 35 ILE MD 1 66 VAL QG . . 3.460 2.944 2.560 3.509 0.049 15 0 "[ . 1 . 2]" 1
540 1 35 ILE HG12 1 36 SER H . . 5.090 4.562 4.224 5.104 0.014 13 0 "[ . 1 . 2]" 1
541 1 35 ILE HG12 1 39 TRP HD1 . . 4.240 2.869 2.422 3.205 . 0 0 "[ . 1 . 2]" 1
542 1 35 ILE HG13 1 39 TRP HD1 . . 4.560 4.231 3.404 4.620 0.060 14 0 "[ . 1 . 2]" 1
543 1 35 ILE HG13 1 39 TRP HE1 . . 5.360 4.213 3.520 4.625 . 0 0 "[ . 1 . 2]" 1
544 1 35 ILE HG13 1 59 PHE QE . . 4.890 3.935 3.283 4.343 . 0 0 "[ . 1 . 2]" 1
545 1 35 ILE MG 1 36 SER H . . 3.720 2.617 2.418 2.987 . 0 0 "[ . 1 . 2]" 1
546 1 35 ILE MG 1 37 TYR H . . 5.500 4.678 4.522 4.886 . 0 0 "[ . 1 . 2]" 1
547 1 35 ILE MG 1 39 TRP H . . 5.500 4.987 4.628 5.562 0.062 15 0 "[ . 1 . 2]" 1
548 1 35 ILE MG 1 39 TRP HD1 . . 3.250 2.714 2.267 3.243 . 0 0 "[ . 1 . 2]" 1
549 1 35 ILE MG 1 39 TRP HE1 . . 4.410 3.051 2.383 3.527 . 0 0 "[ . 1 . 2]" 1
550 1 35 ILE MG 1 59 PHE HZ . . 4.580 4.586 4.070 4.676 0.096 9 0 "[ . 1 . 2]" 1
551 1 36 SER H 1 36 SER QB . . 3.090 2.404 2.066 2.767 . 0 0 "[ . 1 . 2]" 1
552 1 36 SER H 1 37 TYR H . . 3.430 2.833 2.581 2.968 . 0 0 "[ . 1 . 2]" 1
553 1 36 SER H 1 37 TYR QD . . 5.020 4.695 3.993 5.045 0.025 11 0 "[ . 1 . 2]" 1
554 1 36 SER H 1 38 ALA H . . 5.290 4.773 4.432 5.008 . 0 0 "[ . 1 . 2]" 1
555 1 36 SER H 1 39 TRP HD1 . . 4.670 3.940 3.511 4.290 . 0 0 "[ . 1 . 2]" 1
556 1 36 SER HA 1 38 ALA H . . 4.840 4.339 3.864 4.698 . 0 0 "[ . 1 . 2]" 1
557 1 36 SER HA 1 39 TRP H . . 4.010 3.250 2.787 3.539 . 0 0 "[ . 1 . 2]" 1
558 1 36 SER HA 1 39 TRP HB2 . . 3.360 2.273 1.995 2.505 . 0 0 "[ . 1 . 2]" 1
559 1 36 SER HA 1 39 TRP HB3 . . 4.010 3.882 3.693 4.076 0.066 8 0 "[ . 1 . 2]" 1
560 1 36 SER HA 1 39 TRP HD1 . . 3.070 2.344 2.064 2.682 . 0 0 "[ . 1 . 2]" 1
561 1 36 SER HA 1 39 TRP HE1 . . 5.110 4.850 4.555 5.176 0.066 13 0 "[ . 1 . 2]" 1
562 1 36 SER QB 1 37 TYR H . . 4.770 3.119 2.741 3.580 . 0 0 "[ . 1 . 2]" 1
563 1 36 SER QB 1 39 TRP HD1 . . 4.470 4.186 3.790 4.558 0.088 18 0 "[ . 1 . 2]" 1
564 1 37 TYR H 1 37 TYR HB2 . . 3.090 2.159 2.042 2.219 . 0 0 "[ . 1 . 2]" 1
565 1 37 TYR H 1 37 TYR HB3 . . 3.410 3.454 3.361 3.482 0.072 7 0 "[ . 1 . 2]" 1
566 1 37 TYR H 1 37 TYR QD . . 2.980 2.856 2.445 3.055 0.075 5 0 "[ . 1 . 2]" 1
567 1 37 TYR H 1 37 TYR QE . . 5.310 4.989 4.683 5.241 . 0 0 "[ . 1 . 2]" 1
568 1 37 TYR H 1 38 ALA H . . 3.530 2.904 2.662 3.171 . 0 0 "[ . 1 . 2]" 1
569 1 37 TYR H 1 38 ALA MB . . 5.180 4.599 4.310 4.856 . 0 0 "[ . 1 . 2]" 1
570 1 37 TYR H 1 39 TRP H . . 4.490 4.264 4.064 4.542 0.052 10 0 "[ . 1 . 2]" 1
571 1 37 TYR H 1 40 LYS QB . . 5.310 5.026 4.487 5.325 0.015 15 0 "[ . 1 . 2]" 1
572 1 37 TYR HA 1 37 TYR QD . . 3.430 2.846 2.379 3.122 . 0 0 "[ . 1 . 2]" 1
573 1 37 TYR HA 1 37 TYR QE . . 4.870 4.501 4.322 4.738 . 0 0 "[ . 1 . 2]" 1
574 1 37 TYR HA 1 40 LYS H . . 4.160 3.803 3.595 4.118 . 0 0 "[ . 1 . 2]" 1
575 1 37 TYR HA 1 40 LYS QB . . 3.270 3.012 2.603 3.357 0.087 1 0 "[ . 1 . 2]" 1
576 1 37 TYR HA 1 40 LYS QD . . 4.490 3.285 2.428 4.572 0.082 13 0 "[ . 1 . 2]" 1
577 1 37 TYR HB2 1 38 ALA H . . 3.750 2.771 2.626 2.910 . 0 0 "[ . 1 . 2]" 1
578 1 37 TYR HB3 1 38 ALA MB . . 4.840 4.106 3.852 4.423 . 0 0 "[ . 1 . 2]" 1
579 1 37 TYR HB3 1 88 TRP HH2 . . 3.720 2.478 2.208 3.470 . 0 0 "[ . 1 . 2]" 1
580 1 37 TYR HB3 1 88 TRP HZ2 . . 3.730 2.903 2.469 3.453 . 0 0 "[ . 1 . 2]" 1
581 1 37 TYR QD 1 40 LYS QB . . 5.500 4.727 4.042 5.315 . 0 0 "[ . 1 . 2]" 1
582 1 38 ALA H 1 38 ALA MB . . 3.130 2.257 2.187 2.364 . 0 0 "[ . 1 . 2]" 1
583 1 38 ALA H 1 39 TRP H . . 3.220 2.616 2.494 2.814 . 0 0 "[ . 1 . 2]" 1
584 1 38 ALA H 1 39 TRP HB2 . . 5.500 4.651 4.442 4.958 . 0 0 "[ . 1 . 2]" 1
585 1 38 ALA H 1 39 TRP HD1 . . 4.810 4.814 4.510 4.890 0.080 18 0 "[ . 1 . 2]" 1
586 1 38 ALA H 1 40 LYS H . . 4.670 4.219 4.017 4.414 . 0 0 "[ . 1 . 2]" 1
587 1 38 ALA HA 1 41 GLU H . . 4.430 3.598 3.296 3.970 . 0 0 "[ . 1 . 2]" 1
588 1 38 ALA HA 1 42 LEU H . . 4.980 4.005 3.739 4.395 . 0 0 "[ . 1 . 2]" 1
589 1 38 ALA HA 1 88 TRP HH2 . . 3.520 2.499 2.205 2.840 . 0 0 "[ . 1 . 2]" 1
590 1 38 ALA HA 1 88 TRP HZ2 . . 4.080 3.958 2.903 4.157 0.077 15 0 "[ . 1 . 2]" 1
591 1 38 ALA HA 1 88 TRP HZ3 . . 4.560 2.855 2.411 3.838 . 0 0 "[ . 1 . 2]" 1
592 1 38 ALA MB 1 39 TRP H . . 3.430 2.525 2.224 2.831 . 0 0 "[ . 1 . 2]" 1
593 1 38 ALA MB 1 40 LYS H . . 5.500 4.616 4.505 4.791 . 0 0 "[ . 1 . 2]" 1
594 1 38 ALA MB 1 42 LEU QD . . 4.950 2.732 2.347 3.393 . 0 0 "[ . 1 . 2]" 1
595 1 38 ALA MB 1 57 MET ME . . 3.880 2.884 2.345 3.385 . 0 0 "[ . 1 . 2]" 1
596 1 38 ALA MB 1 66 VAL H . . 5.420 4.905 4.533 5.291 . 0 0 "[ . 1 . 2]" 1
597 1 38 ALA MB 1 66 VAL HB . . 4.400 3.722 3.319 4.234 . 0 0 "[ . 1 . 2]" 1
598 1 38 ALA MB 1 66 VAL QG . . 3.420 2.032 1.899 2.529 . 0 0 "[ . 1 . 2]" 1
599 1 38 ALA MB 1 88 TRP HH2 . . 3.790 2.911 2.206 3.211 . 0 0 "[ . 1 . 2]" 1
600 1 38 ALA MB 1 88 TRP HZ3 . . 4.430 2.714 2.155 3.302 . 0 0 "[ . 1 . 2]" 1
601 1 39 TRP H 1 39 TRP HB2 . . 3.240 2.406 2.287 2.524 . 0 0 "[ . 1 . 2]" 1
602 1 39 TRP H 1 39 TRP HD1 . . 4.340 3.178 2.923 3.383 . 0 0 "[ . 1 . 2]" 1
603 1 39 TRP H 1 40 LYS H . . 3.510 2.868 2.688 2.990 . 0 0 "[ . 1 . 2]" 1
604 1 39 TRP H 1 40 LYS QB . . 4.870 4.638 4.389 4.814 . 0 0 "[ . 1 . 2]" 1
605 1 39 TRP H 1 41 GLU H . . 5.330 4.559 4.310 4.837 . 0 0 "[ . 1 . 2]" 1
606 1 39 TRP H 1 42 LEU QD . . 5.500 4.278 4.002 4.807 . 0 0 "[ . 1 . 2]" 1
607 1 39 TRP H 1 57 MET ME . . 4.460 3.696 2.736 4.114 . 0 0 "[ . 1 . 2]" 1
608 1 39 TRP HA 1 39 TRP HE3 . . 3.020 2.427 2.261 2.621 . 0 0 "[ . 1 . 2]" 1
609 1 39 TRP HA 1 42 LEU HB2 . . 3.710 2.704 2.264 3.289 . 0 0 "[ . 1 . 2]" 1
610 1 39 TRP HA 1 42 LEU HB3 . . 4.320 4.082 2.966 4.396 0.076 1 0 "[ . 1 . 2]" 1
611 1 39 TRP HA 1 42 LEU QD . . 3.820 3.121 2.873 3.460 . 0 0 "[ . 1 . 2]" 1
612 1 39 TRP HA 1 42 LEU HG . . 4.940 4.690 4.198 5.015 0.075 10 0 "[ . 1 . 2]" 1
613 1 39 TRP HA 1 43 LYS H . . 4.740 3.806 3.550 3.971 . 0 0 "[ . 1 . 2]" 1
614 1 39 TRP HA 1 57 MET ME . . 4.260 3.360 2.888 4.113 . 0 0 "[ . 1 . 2]" 1
615 1 39 TRP HB2 1 39 TRP HD1 . . 3.150 2.568 2.500 2.711 . 0 0 "[ . 1 . 2]" 1
616 1 39 TRP HB2 1 40 LYS H . . 3.470 2.716 2.536 3.015 . 0 0 "[ . 1 . 2]" 1
617 1 39 TRP HB2 1 40 LYS QB . . 4.670 4.558 3.957 4.753 0.083 17 0 "[ . 1 . 2]" 1
618 1 39 TRP HB2 1 41 GLU H . . 5.500 5.360 5.027 5.561 0.061 9 0 "[ . 1 . 2]" 1
619 1 39 TRP HB2 1 57 MET ME . . 4.670 4.627 3.810 4.769 0.099 13 0 "[ . 1 . 2]" 1
620 1 39 TRP HB3 1 39 TRP HE3 . . 3.550 2.969 2.730 3.117 . 0 0 "[ . 1 . 2]" 1
621 1 39 TRP HB3 1 40 LYS H . . 3.960 3.511 3.311 3.818 . 0 0 "[ . 1 . 2]" 1
622 1 39 TRP HB3 1 40 LYS QB . . 5.500 5.186 4.569 5.461 . 0 0 "[ . 1 . 2]" 1
623 1 39 TRP HB3 1 43 LYS QD . . 4.830 2.855 2.411 3.401 . 0 0 "[ . 1 . 2]" 1
624 1 39 TRP HE1 1 57 MET HB3 . . 4.610 3.775 3.086 4.675 0.065 15 0 "[ . 1 . 2]" 1
625 1 39 TRP HE1 1 57 MET ME . . 4.610 3.323 2.527 4.198 . 0 0 "[ . 1 . 2]" 1
626 1 39 TRP HE3 1 42 LEU H . . 5.500 5.510 5.254 5.587 0.087 10 0 "[ . 1 . 2]" 1
627 1 39 TRP HE3 1 42 LEU HB2 . . 4.870 3.674 3.346 4.773 . 0 0 "[ . 1 . 2]" 1
628 1 39 TRP HE3 1 42 LEU QD . . 4.570 3.888 3.378 4.456 . 0 0 "[ . 1 . 2]" 1
629 1 39 TRP HE3 1 43 LYS H . . 5.170 4.630 4.293 5.056 . 0 0 "[ . 1 . 2]" 1
630 1 39 TRP HE3 1 43 LYS QD . . 5.060 4.163 3.162 4.768 . 0 0 "[ . 1 . 2]" 1
631 1 39 TRP HE3 1 43 LYS HE3 . . 4.560 3.178 2.115 4.594 0.034 17 0 "[ . 1 . 2]" 1
632 1 39 TRP HE3 1 43 LYS HG3 . . 4.160 3.233 2.629 4.101 . 0 0 "[ . 1 . 2]" 1
633 1 39 TRP HE3 1 50 ILE MG . . 3.810 2.901 2.391 3.382 . 0 0 "[ . 1 . 2]" 1
634 1 39 TRP HH2 1 51 ASP HA . . 3.530 2.958 2.485 3.389 . 0 0 "[ . 1 . 2]" 1
635 1 39 TRP HH2 1 51 ASP HB2 . . 5.030 3.982 3.024 4.719 . 0 0 "[ . 1 . 2]" 1
636 1 39 TRP HH2 1 51 ASP HB3 . . 4.900 4.458 3.762 5.103 0.203 20 0 "[ . 1 . 2]" 1
637 1 39 TRP HH2 1 54 VAL HB . . 3.210 2.288 2.010 3.187 . 0 0 "[ . 1 . 2]" 1
638 1 39 TRP HH2 1 54 VAL QG . . 3.430 2.442 1.741 3.030 . 0 0 "[ . 1 . 2]" 1
639 1 39 TRP HH2 1 57 MET HB2 . . 5.120 4.329 3.306 5.181 0.061 3 0 "[ . 1 . 2]" 1
640 1 39 TRP HH2 1 57 MET ME . . 4.840 3.451 2.838 4.418 . 0 0 "[ . 1 . 2]" 1
641 1 39 TRP HZ2 1 51 ASP HA . . 5.150 4.947 4.294 5.216 0.066 18 0 "[ . 1 . 2]" 1
642 1 39 TRP HZ2 1 54 VAL HB . . 4.860 4.389 3.853 4.930 0.070 10 0 "[ . 1 . 2]" 1
643 1 39 TRP HZ2 1 54 VAL QG . . 4.010 3.511 2.697 3.933 . 0 0 "[ . 1 . 2]" 1
644 1 39 TRP HZ2 1 57 MET H . . 5.500 4.016 2.881 5.564 0.064 13 0 "[ . 1 . 2]" 1
645 1 39 TRP HZ2 1 57 MET HB2 . . 4.000 3.472 2.573 4.073 0.073 19 0 "[ . 1 . 2]" 1
646 1 39 TRP HZ2 1 57 MET HB3 . . 3.840 3.304 2.291 3.914 0.074 3 0 "[ . 1 . 2]" 1
647 1 39 TRP HZ2 1 57 MET ME . . 3.930 2.955 2.432 3.500 . 0 0 "[ . 1 . 2]" 1
648 1 39 TRP HZ3 1 50 ILE HG12 . . 5.500 4.496 3.323 5.539 0.039 4 0 "[ . 1 . 2]" 1
649 1 39 TRP HZ3 1 50 ILE HG13 . . 5.420 3.801 2.725 4.592 . 0 0 "[ . 1 . 2]" 1
650 1 39 TRP HZ3 1 50 ILE MG . . 3.450 2.618 2.103 3.497 0.047 12 0 "[ . 1 . 2]" 1
651 1 39 TRP HZ3 1 51 ASP H . . 5.130 4.081 3.565 4.530 . 0 0 "[ . 1 . 2]" 1
652 1 39 TRP HZ3 1 51 ASP HA . . 3.340 2.436 2.086 3.087 . 0 0 "[ . 1 . 2]" 1
653 1 39 TRP HZ3 1 51 ASP HB2 . . 4.610 3.947 2.634 4.678 0.068 15 0 "[ . 1 . 2]" 1
654 1 39 TRP HZ3 1 51 ASP HB3 . . 4.440 3.649 2.931 4.676 0.236 16 0 "[ . 1 . 2]" 1
655 1 39 TRP HZ3 1 54 VAL H . . 5.500 4.853 3.980 5.554 0.054 6 0 "[ . 1 . 2]" 1
656 1 39 TRP HZ3 1 54 VAL HB . . 3.480 3.359 2.741 3.575 0.095 9 0 "[ . 1 . 2]" 1
657 1 39 TRP HZ3 1 54 VAL QG . . 3.650 2.664 2.194 3.250 . 0 0 "[ . 1 . 2]" 1
658 1 40 LYS H 1 40 LYS QB . . 2.830 2.210 2.023 2.359 . 0 0 "[ . 1 . 2]" 1
659 1 40 LYS H 1 40 LYS QD . . 4.580 3.591 2.485 4.387 . 0 0 "[ . 1 . 2]" 1
660 1 40 LYS H 1 40 LYS QE . . 5.500 4.819 4.215 5.600 0.100 10 0 "[ . 1 . 2]" 1
661 1 40 LYS H 1 40 LYS HG2 . . 4.510 4.033 3.599 4.456 . 0 0 "[ . 1 . 2]" 1
662 1 40 LYS H 1 40 LYS HG3 . . 4.580 3.174 2.428 4.640 0.060 6 0 "[ . 1 . 2]" 1
663 1 40 LYS H 1 41 GLU H . . 3.590 2.893 2.648 3.094 . 0 0 "[ . 1 . 2]" 1
664 1 40 LYS HA 1 40 LYS QB . . 2.770 2.468 2.290 2.580 . 0 0 "[ . 1 . 2]" 1
665 1 40 LYS HA 1 40 LYS QD . . 3.860 3.710 2.196 3.965 0.105 3 0 "[ . 1 . 2]" 1
666 1 40 LYS HA 1 40 LYS HG2 . . 3.880 2.698 2.316 3.695 . 0 0 "[ . 1 . 2]" 1
667 1 40 LYS HA 1 40 LYS HG3 . . 3.370 2.612 2.210 3.431 0.061 6 0 "[ . 1 . 2]" 1
668 1 40 LYS HA 1 43 LYS H . . 4.150 3.669 3.410 4.029 . 0 0 "[ . 1 . 2]" 1
669 1 40 LYS QB 1 41 GLU H . . 3.320 2.556 2.311 2.968 . 0 0 "[ . 1 . 2]" 1
670 1 40 LYS QD 1 40 LYS HG3 . . 2.470 2.305 2.106 2.516 0.046 6 0 "[ . 1 . 2]" 1
671 1 40 LYS QE 1 40 LYS HG2 . . 3.920 2.476 2.190 3.239 . 0 0 "[ . 1 . 2]" 1
672 1 41 GLU H 1 41 GLU HB2 . . 3.310 2.174 2.015 2.388 . 0 0 "[ . 1 . 2]" 1
673 1 41 GLU H 1 41 GLU HB3 . . 3.360 3.063 2.819 3.294 . 0 0 "[ . 1 . 2]" 1
674 1 41 GLU H 1 42 LEU H . . 3.380 2.784 2.566 2.998 . 0 0 "[ . 1 . 2]" 1
675 1 41 GLU H 1 42 LEU QD . . 5.500 4.671 3.957 5.152 . 0 0 "[ . 1 . 2]" 1
676 1 41 GLU H 1 43 LYS H . . 5.060 4.193 4.003 4.433 . 0 0 "[ . 1 . 2]" 1
677 1 41 GLU HA 1 44 GLU HB2 . . 3.850 2.816 2.241 3.427 . 0 0 "[ . 1 . 2]" 1
678 1 41 GLU HA 1 44 GLU HB3 . . 3.600 3.415 2.853 3.676 0.076 19 0 "[ . 1 . 2]" 1
679 1 41 GLU HB2 1 42 LEU H . . 4.460 3.358 2.895 3.647 . 0 0 "[ . 1 . 2]" 1
680 1 41 GLU HB2 1 88 TRP HE1 . . 4.530 4.053 3.295 4.601 0.071 1 0 "[ . 1 . 2]" 1
681 1 41 GLU HB3 1 42 LEU H . . 3.630 2.560 2.337 2.808 . 0 0 "[ . 1 . 2]" 1
682 1 41 GLU HB3 1 42 LEU HA . . 3.820 3.886 3.816 3.906 0.086 20 0 "[ . 1 . 2]" 1
683 1 41 GLU HB3 1 82 TRP HZ3 . . 4.620 3.299 2.682 4.020 . 0 0 "[ . 1 . 2]" 1
684 1 41 GLU HG2 1 82 TRP HH2 . . 3.010 2.649 2.295 3.008 . 0 0 "[ . 1 . 2]" 1
685 1 41 GLU HG2 1 88 TRP HD1 . . 3.840 3.240 2.914 3.509 . 0 0 "[ . 1 . 2]" 1
686 1 41 GLU HG2 1 88 TRP HE1 . . 4.620 3.561 2.661 4.036 . 0 0 "[ . 1 . 2]" 1
687 1 41 GLU HG2 1 88 TRP HZ2 . . 4.920 4.723 3.739 4.995 0.075 19 0 "[ . 1 . 2]" 1
688 1 41 GLU HG3 1 82 TRP HH2 . . 3.360 2.968 2.336 3.433 0.073 5 0 "[ . 1 . 2]" 1
689 1 41 GLU HG3 1 82 TRP HZ2 . . 5.010 4.863 4.175 5.087 0.077 6 0 "[ . 1 . 2]" 1
690 1 41 GLU HG3 1 82 TRP HZ3 . . 4.140 3.722 2.759 4.190 0.050 7 0 "[ . 1 . 2]" 1
691 1 41 GLU HG3 1 88 TRP HB2 . . 5.120 4.348 3.710 4.987 . 0 0 "[ . 1 . 2]" 1
692 1 41 GLU HG3 1 88 TRP HD1 . . 5.420 4.430 3.877 4.826 . 0 0 "[ . 1 . 2]" 1
693 1 42 LEU H 1 42 LEU HB2 . . 3.250 2.327 1.951 2.476 . 0 0 "[ . 1 . 2]" 1
694 1 42 LEU H 1 42 LEU HB3 . . 3.770 3.535 2.831 3.664 . 0 0 "[ . 1 . 2]" 1
695 1 42 LEU H 1 42 LEU QD . . 4.150 2.858 2.125 3.275 . 0 0 "[ . 1 . 2]" 1
696 1 42 LEU H 1 43 LYS H . . 3.650 2.878 2.753 3.055 . 0 0 "[ . 1 . 2]" 1
697 1 42 LEU H 1 82 TRP HH2 . . 4.620 4.616 4.371 4.700 0.080 7 0 "[ . 1 . 2]" 1
698 1 42 LEU H 1 82 TRP HZ3 . . 5.400 3.801 3.326 4.246 . 0 0 "[ . 1 . 2]" 1
699 1 42 LEU HA 1 42 LEU QD . . 3.080 2.043 1.907 2.157 . 0 0 "[ . 1 . 2]" 1
700 1 42 LEU HA 1 42 LEU HG . . 4.170 3.088 2.630 3.687 . 0 0 "[ . 1 . 2]" 1
701 1 42 LEU HA 1 45 GLN H . . 4.430 3.571 3.353 3.874 . 0 0 "[ . 1 . 2]" 1
702 1 42 LEU HA 1 45 GLN QG . . 4.910 3.938 2.925 4.726 . 0 0 "[ . 1 . 2]" 1
703 1 42 LEU HA 1 46 LEU H . . 4.460 3.738 3.435 4.080 . 0 0 "[ . 1 . 2]" 1
704 1 42 LEU HA 1 46 LEU HB2 . . 5.150 4.410 4.048 4.926 . 0 0 "[ . 1 . 2]" 1
705 1 42 LEU HA 1 46 LEU HG . . 4.080 3.542 3.208 3.819 . 0 0 "[ . 1 . 2]" 1
706 1 42 LEU HA 1 82 TRP HE3 . . 4.610 3.477 2.965 4.059 . 0 0 "[ . 1 . 2]" 1
707 1 42 LEU HA 1 82 TRP HH2 . . 4.940 4.328 3.747 4.642 . 0 0 "[ . 1 . 2]" 1
708 1 42 LEU HA 1 82 TRP HZ3 . . 3.630 2.219 1.983 2.529 . 0 0 "[ . 1 . 2]" 1
709 1 42 LEU HB2 1 43 LYS H . . 3.790 2.862 2.646 3.603 . 0 0 "[ . 1 . 2]" 1
710 1 42 LEU HB3 1 43 LYS H . . 4.030 3.370 2.771 3.621 . 0 0 "[ . 1 . 2]" 1
711 1 42 LEU HB3 1 50 ILE MG . . 4.410 2.709 2.312 3.193 . 0 0 "[ . 1 . 2]" 1
712 1 42 LEU QD 1 43 LYS H . . 5.110 4.132 3.866 4.272 . 0 0 "[ . 1 . 2]" 1
713 1 42 LEU QD 1 43 LYS HA . . 5.500 5.127 5.017 5.184 . 0 0 "[ . 1 . 2]" 1
714 1 42 LEU QD 1 45 GLN H . . 5.500 4.757 4.483 5.102 . 0 0 "[ . 1 . 2]" 1
715 1 42 LEU QD 1 46 LEU HG . . 3.110 3.029 2.523 3.181 0.071 20 0 "[ . 1 . 2]" 1
716 1 42 LEU QD 1 50 ILE MG . . 4.450 3.729 3.260 4.057 . 0 0 "[ . 1 . 2]" 1
717 1 42 LEU QD 1 78 ILE MG . . 4.890 3.094 2.767 3.634 . 0 0 "[ . 1 . 2]" 1
718 1 42 LEU QD 1 82 TRP HE3 . . 4.120 2.762 2.474 3.215 . 0 0 "[ . 1 . 2]" 1
719 1 42 LEU QD 1 82 TRP HH2 . . 5.250 3.616 3.027 4.165 . 0 0 "[ . 1 . 2]" 1
720 1 42 LEU QD 1 82 TRP HZ3 . . 3.520 2.447 2.023 2.986 . 0 0 "[ . 1 . 2]" 1
721 1 42 LEU QD 1 90 LEU HA . . 5.500 5.141 4.809 5.318 . 0 0 "[ . 1 . 2]" 1
722 1 42 LEU QD 1 90 LEU QD . . 3.860 2.198 1.873 2.419 . 0 0 "[ . 1 . 2]" 1
723 1 43 LYS H 1 43 LYS HB2 . . 3.120 2.273 2.195 2.354 . 0 0 "[ . 1 . 2]" 1
724 1 43 LYS H 1 43 LYS HB3 . . 3.670 3.530 3.470 3.592 . 0 0 "[ . 1 . 2]" 1
725 1 43 LYS H 1 43 LYS QD . . 4.000 3.715 3.461 3.913 . 0 0 "[ . 1 . 2]" 1
726 1 43 LYS H 1 43 LYS HE3 . . 5.500 5.118 4.554 5.578 0.078 14 0 "[ . 1 . 2]" 1
727 1 43 LYS H 1 43 LYS HG2 . . 4.070 3.883 3.732 4.043 . 0 0 "[ . 1 . 2]" 1
728 1 43 LYS H 1 43 LYS HG3 . . 3.760 2.660 2.444 2.795 . 0 0 "[ . 1 . 2]" 1
729 1 43 LYS H 1 44 GLU H . . 3.460 2.694 2.503 2.839 . 0 0 "[ . 1 . 2]" 1
730 1 43 LYS H 1 45 GLN H . . 5.070 4.291 3.999 4.601 . 0 0 "[ . 1 . 2]" 1
731 1 43 LYS H 1 46 LEU H . . 4.890 4.824 4.702 4.934 0.044 13 0 "[ . 1 . 2]" 1
732 1 43 LYS H 1 50 ILE MG . . 4.550 3.633 3.323 4.088 . 0 0 "[ . 1 . 2]" 1
733 1 43 LYS HA 1 43 LYS HB3 . . 3.010 2.618 2.558 2.678 . 0 0 "[ . 1 . 2]" 1
734 1 43 LYS HA 1 43 LYS QD . . 3.990 4.040 3.996 4.065 0.075 1 0 "[ . 1 . 2]" 1
735 1 43 LYS HA 1 43 LYS HG2 . . 3.110 2.556 2.390 2.760 . 0 0 "[ . 1 . 2]" 1
736 1 43 LYS HA 1 43 LYS HG3 . . 3.690 2.790 2.621 2.981 . 0 0 "[ . 1 . 2]" 1
737 1 43 LYS HA 1 50 ILE MG . . 3.400 2.656 2.275 3.095 . 0 0 "[ . 1 . 2]" 1
738 1 43 LYS HB2 1 44 GLU H . . 3.610 2.996 2.416 3.604 . 0 0 "[ . 1 . 2]" 1
739 1 43 LYS HB2 1 48 GLU HA . . 4.160 3.767 3.598 3.911 . 0 0 "[ . 1 . 2]" 1
740 1 43 LYS HB3 1 43 LYS HE3 . . 5.500 4.798 4.589 5.070 . 0 0 "[ . 1 . 2]" 1
741 1 43 LYS HB3 1 44 GLU H . . 4.150 3.676 3.221 4.207 0.057 15 0 "[ . 1 . 2]" 1
742 1 43 LYS HB3 1 48 GLU H . . 4.760 4.364 4.219 4.555 . 0 0 "[ . 1 . 2]" 1
743 1 43 LYS HB3 1 48 GLU HA . . 3.010 2.184 2.033 2.379 . 0 0 "[ . 1 . 2]" 1
744 1 43 LYS HB3 1 50 ILE MG . . 4.600 4.095 3.937 4.282 . 0 0 "[ . 1 . 2]" 1
745 1 43 LYS QD 1 48 GLU HA . . 3.720 3.130 2.719 3.627 . 0 0 "[ . 1 . 2]" 1
746 1 43 LYS QD 1 50 ILE MG . . 4.470 3.824 3.542 4.287 . 0 0 "[ . 1 . 2]" 1
747 1 43 LYS HE2 1 43 LYS HG2 . . 4.240 2.382 2.206 2.671 . 0 0 "[ . 1 . 2]" 1
748 1 43 LYS HE2 1 48 GLU HA . . 4.400 3.927 3.371 4.455 0.055 14 0 "[ . 1 . 2]" 1
749 1 43 LYS HE2 1 50 ILE MG . . 4.760 3.110 2.374 3.945 . 0 0 "[ . 1 . 2]" 1
750 1 43 LYS HE2 1 51 ASP H . . 4.740 3.452 2.793 4.242 . 0 0 "[ . 1 . 2]" 1
751 1 43 LYS HE2 1 51 ASP HB3 . . 4.260 3.334 2.308 4.300 0.040 11 0 "[ . 1 . 2]" 1
752 1 43 LYS HE3 1 43 LYS HG2 . . 4.110 3.197 2.717 3.746 . 0 0 "[ . 1 . 2]" 1
753 1 43 LYS HE3 1 43 LYS HG3 . . 4.020 2.762 2.386 3.516 . 0 0 "[ . 1 . 2]" 1
754 1 43 LYS HE3 1 50 ILE MG . . 4.640 3.556 2.911 4.669 0.029 14 0 "[ . 1 . 2]" 1
755 1 43 LYS HE3 1 51 ASP HB3 . . 4.350 3.464 2.153 4.658 0.308 16 0 "[ . 1 . 2]" 1
756 1 43 LYS HG2 1 48 GLU HA . . 3.510 2.176 2.015 2.506 . 0 0 "[ . 1 . 2]" 1
757 1 43 LYS HG2 1 49 GLU HA . . 4.750 4.825 4.770 4.844 0.094 15 0 "[ . 1 . 2]" 1
758 1 43 LYS HG2 1 50 ILE H . . 4.230 3.311 3.172 3.605 . 0 0 "[ . 1 . 2]" 1
759 1 43 LYS HG3 1 48 GLU HA . . 4.050 3.750 3.644 4.061 0.011 7 0 "[ . 1 . 2]" 1
760 1 43 LYS HG3 1 50 ILE H . . 4.620 4.463 4.218 4.684 0.064 14 0 "[ . 1 . 2]" 1
761 1 44 GLU H 1 44 GLU HB2 . . 3.050 2.155 2.024 2.341 . 0 0 "[ . 1 . 2]" 1
762 1 44 GLU H 1 44 GLU HB3 . . 3.320 3.034 2.751 3.391 0.071 16 0 "[ . 1 . 2]" 1
763 1 44 GLU H 1 45 GLN H . . 3.420 2.647 2.346 2.872 . 0 0 "[ . 1 . 2]" 1
764 1 44 GLU H 1 46 LEU H . . 4.800 4.295 3.682 4.716 . 0 0 "[ . 1 . 2]" 1
765 1 44 GLU HA 1 44 GLU HB2 . . 2.980 2.768 2.571 3.011 0.031 16 0 "[ . 1 . 2]" 1
766 1 44 GLU HA 1 44 GLU HG2 . . 3.780 2.673 2.223 3.632 . 0 0 "[ . 1 . 2]" 1
767 1 44 GLU HA 1 44 GLU HG3 . . 3.650 2.775 2.191 3.673 0.023 14 0 "[ . 1 . 2]" 1
768 1 44 GLU HB2 1 44 GLU HG3 . . 2.560 2.485 2.269 3.037 0.477 10 0 "[ . 1 . 2]" 1
769 1 44 GLU HB2 1 45 GLN H . . 3.600 3.548 2.790 3.689 0.089 17 0 "[ . 1 . 2]" 1
770 1 44 GLU HB3 1 45 GLN H . . 3.550 2.987 2.490 3.634 0.084 15 0 "[ . 1 . 2]" 1
771 1 45 GLN H 1 45 GLN HB2 . . 3.100 2.499 2.232 3.674 0.574 13 1 "[ . 1 + . 2]" 1
772 1 45 GLN H 1 45 GLN HB3 . . 3.990 3.518 2.118 3.750 . 0 0 "[ . 1 . 2]" 1
773 1 45 GLN H 1 45 GLN QG . . 3.450 2.650 2.055 3.396 . 0 0 "[ . 1 . 2]" 1
774 1 45 GLN H 1 46 LEU H . . 2.940 2.499 2.067 2.811 . 0 0 "[ . 1 . 2]" 1
775 1 45 GLN H 1 46 LEU HG . . 4.460 4.412 4.073 4.540 0.080 3 0 "[ . 1 . 2]" 1
776 1 45 GLN H 1 82 TRP HZ3 . . 5.440 4.145 3.738 4.629 . 0 0 "[ . 1 . 2]" 1
777 1 45 GLN HA 1 45 GLN QG . . 3.770 2.807 2.147 3.448 . 0 0 "[ . 1 . 2]" 1
778 1 45 GLN HB2 1 46 LEU H . . 4.160 2.764 2.285 4.135 . 0 0 "[ . 1 . 2]" 1
779 1 45 GLN HB2 1 82 TRP HE3 . . 4.780 2.723 2.222 3.974 . 0 0 "[ . 1 . 2]" 1
780 1 45 GLN HB2 1 82 TRP HZ3 . . 4.730 3.143 2.530 4.730 . 13 0 "[ . 1 . 2]" 1
781 1 45 GLN HB3 1 45 GLN HE21 . . 3.710 2.712 2.037 3.795 0.085 3 0 "[ . 1 . 2]" 1
782 1 45 GLN HB3 1 45 GLN HE22 . . 5.060 3.831 3.390 5.011 . 0 0 "[ . 1 . 2]" 1
783 1 45 GLN HB3 1 46 LEU H . . 4.100 3.520 2.798 4.221 0.121 13 0 "[ . 1 . 2]" 1
784 1 45 GLN HB3 1 46 LEU QD . . 4.730 3.541 2.335 5.015 0.285 13 0 "[ . 1 . 2]" 1
785 1 45 GLN HB3 1 82 TRP HA . . 4.160 2.947 2.207 4.550 0.390 15 0 "[ . 1 . 2]" 1
786 1 45 GLN HB3 1 82 TRP HE3 . . 4.070 3.108 2.286 4.849 0.779 13 1 "[ . 1 + . 2]" 1
787 1 45 GLN HB3 1 83 HIS H . . 4.960 4.133 3.366 5.747 0.787 15 1 "[ . 1 + 2]" 1
788 1 45 GLN HE21 1 82 TRP HA . . 5.500 3.514 2.710 4.972 . 0 0 "[ . 1 . 2]" 1
789 1 45 GLN HE21 1 83 HIS H . . 4.720 3.349 2.626 4.547 . 0 0 "[ . 1 . 2]" 1
790 1 45 GLN HE22 1 83 HIS H . . 3.990 3.504 2.119 4.072 0.082 8 0 "[ . 1 . 2]" 1
791 1 45 GLN QG 1 46 LEU H . . 5.330 4.015 2.378 4.604 . 0 0 "[ . 1 . 2]" 1
792 1 45 GLN QG 1 82 TRP HZ3 . . 5.500 2.920 2.239 3.648 . 0 0 "[ . 1 . 2]" 1
793 1 45 GLN QG 1 83 HIS H . . 5.500 3.731 2.212 5.345 . 0 0 "[ . 1 . 2]" 1
794 1 46 LEU H 1 46 LEU HB2 . . 3.020 2.472 2.347 2.673 . 0 0 "[ . 1 . 2]" 1
795 1 46 LEU H 1 46 LEU HB3 . . 3.870 3.627 3.563 3.778 . 0 0 "[ . 1 . 2]" 1
796 1 46 LEU H 1 46 LEU QD . . 4.430 3.195 2.949 3.447 . 0 0 "[ . 1 . 2]" 1
797 1 46 LEU H 1 46 LEU HG . . 4.350 2.613 2.317 3.296 . 0 0 "[ . 1 . 2]" 1
798 1 46 LEU H 1 47 GLY H . . 3.130 2.523 2.236 2.792 . 0 0 "[ . 1 . 2]" 1
799 1 46 LEU H 1 47 GLY HA3 . . 5.340 5.175 4.906 5.370 0.030 9 0 "[ . 1 . 2]" 1
800 1 46 LEU HA 1 46 LEU QD . . 3.370 2.143 2.026 2.240 . 0 0 "[ . 1 . 2]" 1
801 1 46 LEU HA 1 81 LYS QB . . 3.340 3.046 2.569 3.257 . 0 0 "[ . 1 . 2]" 1
802 1 46 LEU HA 1 81 LYS QD . . 4.200 3.576 1.957 4.289 0.089 20 0 "[ . 1 . 2]" 1
803 1 46 LEU HA 1 81 LYS QE . . 4.390 4.060 3.037 4.487 0.097 2 0 "[ . 1 . 2]" 1
804 1 46 LEU HA 1 81 LYS HG3 . . 5.260 4.721 3.531 5.976 0.716 12 2 "[ . 1 + - 2]" 1
805 1 46 LEU HB2 1 46 LEU HG . . 2.810 2.564 2.353 2.664 . 0 0 "[ . 1 . 2]" 1
806 1 46 LEU HB2 1 47 GLY H . . 4.380 3.449 3.076 3.854 . 0 0 "[ . 1 . 2]" 1
807 1 46 LEU HB3 1 47 GLY H . . 4.790 4.229 3.931 4.416 . 0 0 "[ . 1 . 2]" 1
808 1 46 LEU HB3 1 78 ILE HA . . 5.050 4.647 4.206 5.071 0.021 1 0 "[ . 1 . 2]" 1
809 1 46 LEU QD 1 47 GLY H . . 5.500 4.408 4.314 4.567 . 0 0 "[ . 1 . 2]" 1
810 1 46 LEU QD 1 81 LYS H . . 4.970 3.594 3.299 3.813 . 0 0 "[ . 1 . 2]" 1
811 1 46 LEU QD 1 81 LYS QB . . 3.840 2.139 1.919 3.010 . 0 0 "[ . 1 . 2]" 1
812 1 46 LEU QD 1 81 LYS QD . . 4.280 3.409 1.907 4.103 . 0 0 "[ . 1 . 2]" 1
813 1 46 LEU QD 1 81 LYS QE . . 4.850 3.810 2.456 4.445 . 0 0 "[ . 1 . 2]" 1
814 1 46 LEU QD 1 81 LYS HG3 . . 5.220 3.393 1.916 4.107 . 0 0 "[ . 1 . 2]" 1
815 1 46 LEU QD 1 82 TRP H . . 4.510 3.595 2.802 4.274 . 0 0 "[ . 1 . 2]" 1
816 1 46 LEU QD 1 82 TRP HA . . 4.440 3.534 2.706 4.013 . 0 0 "[ . 1 . 2]" 1
817 1 46 LEU QD 1 82 TRP QB . . 4.110 2.792 2.044 3.623 . 0 0 "[ . 1 . 2]" 1
818 1 46 LEU QD 1 83 HIS H . . 5.500 5.313 4.521 5.628 0.128 15 0 "[ . 1 . 2]" 1
819 1 46 LEU HG 1 78 ILE HA . . 4.620 4.668 4.487 4.720 0.100 3 0 "[ . 1 . 2]" 1
820 1 46 LEU HG 1 78 ILE MG . . 3.430 3.533 3.509 3.555 0.125 19 0 "[ . 1 . 2]" 1
821 1 46 LEU HG 1 82 TRP HE3 . . 3.890 3.109 2.450 3.722 . 0 0 "[ . 1 . 2]" 1
822 1 47 GLY H 1 48 GLU H . . 4.240 4.130 3.777 4.287 0.047 4 0 "[ . 1 . 2]" 1
823 1 47 GLY H 1 50 ILE MG . . 5.320 4.782 4.072 5.377 0.057 1 0 "[ . 1 . 2]" 1
824 1 47 GLY HA2 1 48 GLU H . . 3.280 2.303 2.203 2.397 . 0 0 "[ . 1 . 2]" 1
825 1 47 GLY HA2 1 48 GLU HA . . 4.510 4.174 3.951 4.287 . 0 0 "[ . 1 . 2]" 1
826 1 47 GLY HA2 1 48 GLU HB2 . . 4.530 4.202 3.915 4.352 . 0 0 "[ . 1 . 2]" 1
827 1 47 GLY HA2 1 49 GLU H . . 4.400 4.228 3.992 4.460 0.060 19 0 "[ . 1 . 2]" 1
828 1 47 GLY HA3 1 48 GLU H . . 3.200 2.975 2.841 3.223 0.023 3 0 "[ . 1 . 2]" 1
829 1 47 GLY HA3 1 49 GLU H . . 4.770 3.557 3.177 3.946 . 0 0 "[ . 1 . 2]" 1
830 1 47 GLY HA3 1 50 ILE MD . . 5.500 5.417 5.053 5.594 0.094 16 0 "[ . 1 . 2]" 1
831 1 48 GLU H 1 48 GLU HA . . 2.890 2.760 2.594 2.869 . 0 0 "[ . 1 . 2]" 1
832 1 48 GLU H 1 48 GLU HB2 . . 2.940 2.029 1.877 2.122 . 0 0 "[ . 1 . 2]" 1
833 1 48 GLU H 1 48 GLU HB3 . . 3.260 3.220 2.720 3.344 0.084 18 0 "[ . 1 . 2]" 1
834 1 48 GLU H 1 48 GLU QG . . 3.360 3.194 2.702 3.468 0.108 7 0 "[ . 1 . 2]" 1
835 1 48 GLU H 1 49 GLU H . . 3.530 2.848 2.651 3.071 . 0 0 "[ . 1 . 2]" 1
836 1 48 GLU H 1 50 ILE H . . 5.450 4.937 4.470 5.526 0.076 4 0 "[ . 1 . 2]" 1
837 1 48 GLU H 1 50 ILE MG . . 5.500 5.276 4.946 5.581 0.081 5 0 "[ . 1 . 2]" 1
838 1 48 GLU HA 1 48 GLU HB2 . . 2.930 2.870 2.644 2.988 0.058 18 0 "[ . 1 . 2]" 1
839 1 48 GLU HA 1 48 GLU QG . . 3.620 2.159 2.068 2.510 . 0 0 "[ . 1 . 2]" 1
840 1 48 GLU HA 1 50 ILE H . . 4.270 3.754 3.489 4.207 . 0 0 "[ . 1 . 2]" 1
841 1 48 GLU HA 1 50 ILE MG . . 4.380 3.601 3.231 3.913 . 0 0 "[ . 1 . 2]" 1
842 1 48 GLU HB2 1 48 GLU QG . . 2.710 2.305 2.139 2.414 . 0 0 "[ . 1 . 2]" 1
843 1 48 GLU HB2 1 49 GLU H . . 3.980 3.671 3.237 4.061 0.081 5 0 "[ . 1 . 2]" 1
844 1 48 GLU HB3 1 49 GLU H . . 3.900 3.553 2.713 3.960 0.060 17 0 "[ . 1 . 2]" 1
845 1 49 GLU H 1 49 GLU HB2 . . 2.960 2.508 2.219 3.568 0.608 12 2 "[ - . 1 + . 2]" 1
846 1 49 GLU H 1 49 GLU HB3 . . 3.540 3.494 2.628 3.625 0.085 4 0 "[ . 1 . 2]" 1
847 1 49 GLU H 1 49 GLU QG . . 3.700 2.697 1.810 3.738 0.038 10 0 "[ . 1 . 2]" 1
848 1 49 GLU H 1 50 ILE H . . 3.250 2.976 2.540 3.338 0.088 1 0 "[ . 1 . 2]" 1
849 1 49 GLU H 1 50 ILE HB . . 5.240 4.499 3.997 5.151 . 0 0 "[ . 1 . 2]" 1
850 1 49 GLU H 1 50 ILE MG . . 5.040 4.350 3.999 4.672 . 0 0 "[ . 1 . 2]" 1
851 1 49 GLU HA 1 49 GLU HB3 . . 2.940 2.541 2.413 2.711 . 0 0 "[ . 1 . 2]" 1
852 1 49 GLU HA 1 49 GLU QG . . 3.540 2.630 2.103 3.377 . 0 0 "[ . 1 . 2]" 1
853 1 49 GLU HA 1 50 ILE MG . . 5.320 4.369 4.010 4.903 . 0 0 "[ . 1 . 2]" 1
854 1 49 GLU HA 1 51 ASP H . . 3.710 3.370 2.582 3.766 0.056 7 0 "[ . 1 . 2]" 1
855 1 49 GLU HB2 1 50 ILE H . . 4.720 4.134 3.600 4.463 . 0 0 "[ . 1 . 2]" 1
856 1 49 GLU HB3 1 50 ILE H . . 4.830 4.390 4.164 4.529 . 0 0 "[ . 1 . 2]" 1
857 1 50 ILE H 1 50 ILE HB . . 3.010 2.566 2.241 3.032 0.022 4 0 "[ . 1 . 2]" 1
858 1 50 ILE H 1 50 ILE MD . . 4.490 4.125 3.794 4.447 . 0 0 "[ . 1 . 2]" 1
859 1 50 ILE H 1 50 ILE HG12 . . 5.080 4.663 4.512 4.931 . 0 0 "[ . 1 . 2]" 1
860 1 50 ILE H 1 50 ILE HG13 . . 4.600 4.525 4.342 4.663 0.063 1 0 "[ . 1 . 2]" 1
861 1 50 ILE H 1 50 ILE MG . . 3.190 2.110 1.935 2.380 . 0 0 "[ . 1 . 2]" 1
862 1 50 ILE H 1 51 ASP H . . 3.460 2.583 1.959 2.994 . 0 0 "[ . 1 . 2]" 1
863 1 50 ILE HA 1 50 ILE HB . . 2.880 2.454 2.377 2.579 . 0 0 "[ . 1 . 2]" 1
864 1 50 ILE HA 1 50 ILE MD . . 2.970 2.227 2.033 3.028 0.058 15 0 "[ . 1 . 2]" 1
865 1 50 ILE HA 1 50 ILE HG12 . . 3.640 3.679 3.455 3.800 0.160 9 0 "[ . 1 . 2]" 1
866 1 50 ILE HA 1 53 LYS QB . . 3.990 3.664 2.882 4.074 0.084 11 0 "[ . 1 . 2]" 1
867 1 50 ILE HA 1 54 VAL QG . . 5.070 4.476 3.941 4.892 . 0 0 "[ . 1 . 2]" 1
868 1 50 ILE HB 1 50 ILE MD . . 3.070 2.297 2.076 2.449 . 0 0 "[ . 1 . 2]" 1
869 1 50 ILE HB 1 51 ASP H . . 4.670 4.204 3.974 4.430 . 0 0 "[ . 1 . 2]" 1
870 1 50 ILE MD 1 52 SER H . . 5.400 5.129 4.393 5.496 0.096 10 0 "[ . 1 . 2]" 1
871 1 50 ILE MD 1 53 LYS H . . 5.110 4.070 3.113 4.739 . 0 0 "[ . 1 . 2]" 1
872 1 50 ILE MD 1 53 LYS QB . . 4.050 2.758 2.258 3.529 . 0 0 "[ . 1 . 2]" 1
873 1 50 ILE MD 1 53 LYS QE . . 4.690 3.812 1.988 4.782 0.092 8 0 "[ . 1 . 2]" 1
874 1 50 ILE HG12 1 54 VAL QG . . 4.220 3.831 3.313 4.471 0.251 10 0 "[ . 1 . 2]" 1
875 1 50 ILE HG13 1 54 VAL QG . . 4.610 2.846 2.196 4.211 . 0 0 "[ . 1 . 2]" 1
876 1 50 ILE MG 1 51 ASP H . . 3.600 2.692 2.352 3.212 . 0 0 "[ . 1 . 2]" 1
877 1 50 ILE MG 1 51 ASP HA . . 4.410 3.417 3.015 3.937 . 0 0 "[ . 1 . 2]" 1
878 1 50 ILE MG 1 51 ASP HB2 . . 5.270 4.589 3.189 5.364 0.094 15 0 "[ . 1 . 2]" 1
879 1 50 ILE MG 1 51 ASP HB3 . . 5.030 3.714 2.879 4.682 . 0 0 "[ . 1 . 2]" 1
880 1 51 ASP H 1 51 ASP HB2 . . 3.710 3.424 2.154 3.697 . 0 0 "[ . 1 . 2]" 1
881 1 51 ASP H 1 51 ASP HB3 . . 3.480 2.564 2.282 2.772 . 0 0 "[ . 1 . 2]" 1
882 1 51 ASP HA 1 54 VAL HB . . 4.090 3.489 2.613 4.159 0.069 10 0 "[ . 1 . 2]" 1
883 1 51 ASP HA 1 54 VAL QG . . 4.110 2.957 1.965 4.013 . 0 0 "[ . 1 . 2]" 1
884 1 51 ASP HB2 1 52 SER H . . 4.630 4.205 3.588 4.597 . 0 0 "[ . 1 . 2]" 1
885 1 51 ASP HB3 1 52 SER H . . 4.670 4.215 2.739 4.639 . 0 0 "[ . 1 . 2]" 1
886 1 52 SER H 1 52 SER HB2 . . 3.260 2.515 2.031 3.580 0.320 20 0 "[ . 1 . 2]" 1
887 1 52 SER H 1 52 SER HB3 . . 3.660 3.090 2.450 3.725 0.065 3 0 "[ . 1 . 2]" 1
888 1 52 SER H 1 53 LYS H . . 3.160 2.577 1.858 2.948 . 0 0 "[ . 1 . 2]" 1
889 1 52 SER H 1 53 LYS QB . . 4.790 4.538 3.506 4.871 0.081 4 0 "[ . 1 . 2]" 1
890 1 52 SER H 1 54 VAL H . . 4.470 4.338 2.822 4.552 0.082 15 0 "[ . 1 . 2]" 1
891 1 52 SER HA 1 52 SER HB2 . . 2.850 2.747 2.321 3.045 0.195 16 0 "[ . 1 . 2]" 1
892 1 52 SER HB2 1 53 LYS QE . . 5.030 4.712 3.933 5.114 0.084 15 0 "[ . 1 . 2]" 1
893 1 53 LYS H 1 53 LYS QB . . 3.220 2.380 2.132 2.538 . 0 0 "[ . 1 . 2]" 1
894 1 53 LYS H 1 53 LYS QE . . 5.500 4.407 3.058 5.239 . 0 0 "[ . 1 . 2]" 1
895 1 53 LYS H 1 53 LYS HG2 . . 4.270 3.746 2.460 4.336 0.066 11 0 "[ . 1 . 2]" 1
896 1 53 LYS H 1 53 LYS HG3 . . 4.130 3.507 2.290 4.196 0.066 17 0 "[ . 1 . 2]" 1
897 1 53 LYS H 1 54 VAL H . . 3.010 2.581 2.295 3.015 0.005 10 0 "[ . 1 . 2]" 1
898 1 53 LYS H 1 54 VAL HB . . 4.750 4.535 4.168 4.823 0.073 13 0 "[ . 1 . 2]" 1
899 1 53 LYS H 1 54 VAL QG . . 4.630 3.296 3.002 3.754 . 0 0 "[ . 1 . 2]" 1
900 1 53 LYS HA 1 53 LYS HD2 . . 4.390 3.700 2.816 4.612 0.222 5 0 "[ . 1 . 2]" 1
901 1 53 LYS HA 1 53 LYS HD3 . . 4.590 3.703 2.161 4.597 0.007 9 0 "[ . 1 . 2]" 1
902 1 53 LYS HA 1 53 LYS HG2 . . 3.940 3.172 2.325 3.768 . 0 0 "[ . 1 . 2]" 1
903 1 53 LYS HA 1 53 LYS HG3 . . 3.960 2.877 2.183 3.864 . 0 0 "[ . 1 . 2]" 1
904 1 53 LYS QB 1 53 LYS QE . . 3.860 3.481 2.425 3.899 0.039 2 0 "[ . 1 . 2]" 1
905 1 53 LYS QB 1 54 VAL H . . 3.930 3.341 2.253 3.876 . 0 0 "[ . 1 . 2]" 1
906 1 53 LYS QB 1 54 VAL QG . . 4.580 3.114 2.154 4.223 . 0 0 "[ . 1 . 2]" 1
907 1 53 LYS QB 1 70 VAL QG . . 4.060 3.400 2.812 3.999 . 0 0 "[ . 1 . 2]" 1
908 1 53 LYS QB 1 71 PRO HD2 . . 4.430 3.384 2.329 4.456 0.026 14 0 "[ . 1 . 2]" 1
909 1 53 LYS QE 1 53 LYS HG2 . . 3.660 2.534 2.104 3.324 . 0 0 "[ . 1 . 2]" 1
910 1 54 VAL H 1 54 VAL HB . . 3.040 2.582 2.318 3.124 0.084 10 0 "[ . 1 . 2]" 1
911 1 54 VAL H 1 54 VAL QG . . 3.290 2.293 1.789 2.812 . 0 0 "[ . 1 . 2]" 1
912 1 54 VAL H 1 55 LYS H . . 4.970 4.569 4.434 4.664 . 0 0 "[ . 1 . 2]" 1
913 1 54 VAL H 1 70 VAL QG . . 5.500 4.231 3.200 4.737 . 0 0 "[ . 1 . 2]" 1
914 1 54 VAL HA 1 54 VAL QG . . 3.250 2.195 2.084 2.437 . 0 0 "[ . 1 . 2]" 1
915 1 54 VAL HA 1 55 LYS H . . 2.830 2.332 2.151 2.480 . 0 0 "[ . 1 . 2]" 1
916 1 54 VAL HA 1 55 LYS QG . . 4.680 3.731 3.272 4.021 . 0 0 "[ . 1 . 2]" 1
917 1 54 VAL HA 1 68 PHE QD . . 4.550 3.872 2.278 4.571 0.021 14 0 "[ . 1 . 2]" 1
918 1 54 VAL HA 1 70 VAL HA . . 3.910 3.228 2.726 3.757 . 0 0 "[ . 1 . 2]" 1
919 1 54 VAL HA 1 70 VAL QG . . 3.700 2.256 1.949 2.627 . 0 0 "[ . 1 . 2]" 1
920 1 54 VAL HB 1 55 LYS H . . 4.120 3.862 3.535 4.170 0.050 19 0 "[ . 1 . 2]" 1
921 1 54 VAL QG 1 55 LYS H . . 3.630 2.147 1.769 2.407 . 0 0 "[ . 1 . 2]" 1
922 1 54 VAL QG 1 55 LYS HA . . 4.670 3.835 3.028 4.116 . 0 0 "[ . 1 . 2]" 1
923 1 54 VAL QG 1 55 LYS QG . . 4.080 4.011 3.882 4.079 . 0 0 "[ . 1 . 2]" 1
924 1 54 VAL QG 1 56 GLY H . . 5.240 4.194 1.694 4.929 . 0 0 "[ . 1 . 2]" 1
925 1 54 VAL QG 1 57 MET H . . 4.740 3.316 2.280 3.888 . 0 0 "[ . 1 . 2]" 1
926 1 54 VAL QG 1 57 MET HB2 . . 4.610 2.838 2.397 3.395 . 0 0 "[ . 1 . 2]" 1
927 1 54 VAL QG 1 57 MET HB3 . . 4.970 4.049 3.394 4.686 . 0 0 "[ . 1 . 2]" 1
928 1 54 VAL QG 1 57 MET ME . . 3.400 2.853 2.152 3.353 . 0 0 "[ . 1 . 2]" 1
929 1 54 VAL QG 1 68 PHE HB2 . . 3.520 2.246 2.013 2.513 . 0 0 "[ . 1 . 2]" 1
930 1 54 VAL QG 1 68 PHE HB3 . . 4.490 3.117 2.873 3.343 . 0 0 "[ . 1 . 2]" 1
931 1 54 VAL QG 1 68 PHE QD . . 3.030 2.279 1.921 2.694 . 0 0 "[ . 1 . 2]" 1
932 1 54 VAL QG 1 69 ASP H . . 4.930 3.621 3.153 4.125 . 0 0 "[ . 1 . 2]" 1
933 1 54 VAL QG 1 70 VAL HA . . 5.270 3.974 3.280 4.568 . 0 0 "[ . 1 . 2]" 1
934 1 54 VAL QG 1 70 VAL QG . . 3.940 2.292 1.838 3.619 . 0 0 "[ . 1 . 2]" 1
935 1 55 LYS H 1 55 LYS HB2 . . 3.650 2.404 2.174 2.658 . 0 0 "[ . 1 . 2]" 1
936 1 55 LYS H 1 55 LYS HB3 . . 3.870 3.629 3.487 3.796 . 0 0 "[ . 1 . 2]" 1
937 1 55 LYS H 1 55 LYS QG . . 3.810 2.658 2.315 2.943 . 0 0 "[ . 1 . 2]" 1
938 1 55 LYS H 1 56 GLY H . . 5.020 4.095 2.607 4.493 . 0 0 "[ . 1 . 2]" 1
939 1 55 LYS H 1 68 PHE HB2 . . 4.660 3.408 2.919 3.720 . 0 0 "[ . 1 . 2]" 1
940 1 55 LYS H 1 68 PHE QD . . 4.950 3.804 3.010 4.321 . 0 0 "[ . 1 . 2]" 1
941 1 55 LYS H 1 69 ASP H . . 4.350 3.443 2.762 4.125 . 0 0 "[ . 1 . 2]" 1
942 1 55 LYS H 1 69 ASP HA . . 5.500 5.163 4.794 5.525 0.025 14 0 "[ . 1 . 2]" 1
943 1 55 LYS H 1 69 ASP QB . . 4.640 3.791 3.457 4.233 . 0 0 "[ . 1 . 2]" 1
944 1 55 LYS H 1 70 VAL HA . . 4.920 3.843 3.434 4.208 . 0 0 "[ . 1 . 2]" 1
945 1 55 LYS H 1 70 VAL QG . . 5.380 3.407 3.028 3.742 . 0 0 "[ . 1 . 2]" 1
946 1 55 LYS HA 1 55 LYS HD2 . . 4.800 3.063 2.131 4.636 . 0 0 "[ . 1 . 2]" 1
947 1 55 LYS HA 1 55 LYS HD3 . . 3.700 3.475 2.052 4.078 0.378 16 0 "[ . 1 . 2]" 1
948 1 55 LYS HA 1 55 LYS QE . . 3.890 3.223 1.896 3.781 . 0 0 "[ . 1 . 2]" 1
949 1 55 LYS HA 1 55 LYS QG . . 3.800 2.812 2.062 3.178 . 0 0 "[ . 1 . 2]" 1
950 1 55 LYS HA 1 56 GLY H . . 3.090 2.762 2.129 3.175 0.085 16 0 "[ . 1 . 2]" 1
951 1 55 LYS HA 1 57 MET H . . 5.210 5.000 3.794 5.310 0.100 4 0 "[ . 1 . 2]" 1
952 1 55 LYS HB2 1 56 GLY H . . 3.950 3.243 2.731 4.032 0.082 15 0 "[ . 1 . 2]" 1
953 1 55 LYS HB2 1 56 GLY QA . . 4.660 4.460 3.980 4.721 0.061 6 0 "[ . 1 . 2]" 1
954 1 55 LYS HB2 1 69 ASP H . . 5.240 2.738 2.091 3.707 . 0 0 "[ . 1 . 2]" 1
955 1 55 LYS HB2 1 69 ASP QB . . 4.300 2.258 2.032 2.739 . 0 0 "[ . 1 . 2]" 1
956 1 55 LYS HB2 1 70 VAL QG . . 5.020 4.710 4.321 4.948 . 0 0 "[ . 1 . 2]" 1
957 1 55 LYS HB3 1 56 GLY H . . 3.900 2.439 1.872 3.977 0.077 16 0 "[ . 1 . 2]" 1
958 1 55 LYS HB3 1 56 GLY QA . . 4.530 3.918 3.652 4.475 . 0 0 "[ . 1 . 2]" 1
959 1 55 LYS QE 1 55 LYS QG . . 3.490 2.343 1.942 2.921 . 0 0 "[ . 1 . 2]" 1
960 1 55 LYS QG 1 56 GLY H . . 4.550 4.172 3.965 4.625 0.075 10 0 "[ . 1 . 2]" 1
961 1 55 LYS QG 1 56 GLY QA . . 5.310 5.378 5.219 5.427 0.117 16 0 "[ . 1 . 2]" 1
962 1 55 LYS QG 1 69 ASP QB . . 4.220 2.389 1.966 3.987 . 0 0 "[ . 1 . 2]" 1
963 1 56 GLY H 1 57 MET H . . 4.020 3.687 2.168 4.105 0.085 9 0 "[ . 1 . 2]" 1
964 1 56 GLY QA 1 57 MET H . . 3.440 2.396 2.114 2.972 . 0 0 "[ . 1 . 2]" 1
965 1 57 MET H 1 57 MET HB2 . . 3.220 2.520 2.341 2.918 . 0 0 "[ . 1 . 2]" 1
966 1 57 MET H 1 57 MET HB3 . . 3.160 2.650 2.363 3.313 0.153 16 0 "[ . 1 . 2]" 1
967 1 57 MET H 1 57 MET ME . . 4.680 4.313 3.858 4.753 0.073 9 0 "[ . 1 . 2]" 1
968 1 57 MET H 1 58 VAL H . . 4.960 4.591 3.930 4.733 . 0 0 "[ . 1 . 2]" 1
969 1 57 MET H 1 58 VAL MG2 . . 5.500 5.317 4.684 5.947 0.447 11 0 "[ . 1 . 2]" 1
970 1 57 MET H 1 68 PHE HB3 . . 4.860 3.908 3.042 4.349 . 0 0 "[ . 1 . 2]" 1
971 1 57 MET HA 1 57 MET ME . . 4.670 4.224 4.019 4.486 . 0 0 "[ . 1 . 2]" 1
972 1 57 MET HA 1 57 MET HG2 . . 3.490 3.131 2.764 3.481 . 0 0 "[ . 1 . 2]" 1
973 1 57 MET HA 1 57 MET HG3 . . 4.010 2.612 2.281 2.800 . 0 0 "[ . 1 . 2]" 1
974 1 57 MET HA 1 58 VAL H . . 2.910 2.230 2.063 2.371 . 0 0 "[ . 1 . 2]" 1
975 1 57 MET HA 1 58 VAL MG1 . . 4.890 3.788 3.387 4.048 . 0 0 "[ . 1 . 2]" 1
976 1 57 MET HA 1 68 PHE HA . . 2.980 2.652 2.383 3.034 0.054 17 0 "[ . 1 . 2]" 1
977 1 57 MET HA 1 68 PHE HB2 . . 3.810 3.016 2.755 3.216 . 0 0 "[ . 1 . 2]" 1
978 1 57 MET HA 1 68 PHE HB3 . . 3.740 2.149 1.986 2.260 . 0 0 "[ . 1 . 2]" 1
979 1 57 MET HA 1 68 PHE QD . . 4.720 4.062 3.637 4.245 . 0 0 "[ . 1 . 2]" 1
980 1 57 MET HA 1 69 ASP H . . 4.690 4.202 3.848 4.634 . 0 0 "[ . 1 . 2]" 1
981 1 57 MET HB2 1 57 MET ME . . 3.420 2.335 2.139 2.585 . 0 0 "[ . 1 . 2]" 1
982 1 57 MET HB2 1 58 VAL H . . 4.720 4.192 3.874 4.501 . 0 0 "[ . 1 . 2]" 1
983 1 57 MET HB2 1 68 PHE HB2 . . 4.920 3.210 2.764 3.783 . 0 0 "[ . 1 . 2]" 1
984 1 57 MET HB2 1 68 PHE HB3 . . 4.840 2.474 2.223 2.927 . 0 0 "[ . 1 . 2]" 1
985 1 57 MET HB3 1 57 MET ME . . 4.480 2.855 2.345 3.489 . 0 0 "[ . 1 . 2]" 1
986 1 57 MET HB3 1 58 VAL H . . 5.100 4.149 3.917 4.394 . 0 0 "[ . 1 . 2]" 1
987 1 57 MET ME 1 57 MET HG2 . . 3.400 3.228 2.582 3.476 0.076 17 0 "[ . 1 . 2]" 1
988 1 57 MET ME 1 66 VAL QG . . 3.580 3.157 2.613 3.495 . 0 0 "[ . 1 . 2]" 1
989 1 57 MET ME 1 68 PHE HB2 . . 5.240 4.224 3.727 5.087 . 0 0 "[ . 1 . 2]" 1
990 1 57 MET ME 1 68 PHE HB3 . . 4.010 3.454 2.841 4.082 0.072 7 0 "[ . 1 . 2]" 1
991 1 57 MET ME 1 68 PHE QD . . 3.680 2.884 2.256 3.810 0.130 15 0 "[ . 1 . 2]" 1
992 1 57 MET HG2 1 58 VAL H . . 3.860 2.895 2.512 3.609 . 0 0 "[ . 1 . 2]" 1
993 1 57 MET HG2 1 66 VAL QG . . 4.220 2.487 2.025 3.584 . 0 0 "[ . 1 . 2]" 1
994 1 57 MET HG2 1 68 PHE HB3 . . 4.530 3.736 3.455 4.181 . 0 0 "[ . 1 . 2]" 1
995 1 57 MET HG2 1 68 PHE QD . . 4.570 4.144 3.723 4.659 0.089 10 0 "[ . 1 . 2]" 1
996 1 57 MET HG3 1 58 VAL H . . 4.330 2.941 2.049 3.818 . 0 0 "[ . 1 . 2]" 1
997 1 57 MET HG3 1 68 PHE HB2 . . 4.410 3.954 3.628 4.397 . 0 0 "[ . 1 . 2]" 1
998 1 57 MET HG3 1 68 PHE HB3 . . 4.260 2.298 2.053 2.744 . 0 0 "[ . 1 . 2]" 1
999 1 57 MET HG3 1 68 PHE QD . . 3.720 2.600 2.069 3.352 . 0 0 "[ . 1 . 2]" 1
1000 1 58 VAL H 1 58 VAL HB . . 3.840 3.802 3.682 3.906 0.066 11 0 "[ . 1 . 2]" 1
1001 1 58 VAL H 1 58 VAL MG1 . . 4.030 3.170 2.875 3.405 . 0 0 "[ . 1 . 2]" 1
1002 1 58 VAL H 1 58 VAL MG2 . . 3.570 2.294 2.171 2.405 . 0 0 "[ . 1 . 2]" 1
1003 1 58 VAL H 1 68 PHE HA . . 4.730 3.524 3.298 3.760 . 0 0 "[ . 1 . 2]" 1
1004 1 58 VAL H 1 68 PHE HB2 . . 4.870 4.870 4.597 4.945 0.075 11 0 "[ . 1 . 2]" 1
1005 1 58 VAL H 1 68 PHE HB3 . . 4.410 3.595 3.279 3.782 . 0 0 "[ . 1 . 2]" 1
1006 1 58 VAL H 1 68 PHE QD . . 5.500 4.744 4.272 5.218 . 0 0 "[ . 1 . 2]" 1
1007 1 58 VAL HA 1 58 VAL MG1 . . 3.300 2.303 2.200 2.436 . 0 0 "[ . 1 . 2]" 1
1008 1 58 VAL HA 1 58 VAL MG2 . . 3.050 3.266 3.237 3.290 0.240 16 0 "[ . 1 . 2]" 1
1009 1 58 VAL HA 1 59 PHE H . . 2.750 2.293 2.100 2.432 . 0 0 "[ . 1 . 2]" 1
1010 1 58 VAL HA 1 59 PHE HB2 . . 4.390 4.350 4.157 4.456 0.066 20 0 "[ . 1 . 2]" 1
1011 1 58 VAL HA 1 66 VAL QG . . 4.660 3.914 3.538 4.378 . 0 0 "[ . 1 . 2]" 1
1012 1 58 VAL HB 1 59 PHE H . . 3.250 2.702 2.306 3.310 0.060 5 0 "[ . 1 . 2]" 1
1013 1 58 VAL MG2 1 59 PHE H . . 3.850 3.790 3.300 4.285 0.435 5 0 "[ . 1 . 2]" 1
1014 1 59 PHE H 1 59 PHE HB2 . . 3.180 2.164 2.074 2.258 . 0 0 "[ . 1 . 2]" 1
1015 1 59 PHE H 1 59 PHE HB3 . . 3.560 3.460 3.376 3.532 . 0 0 "[ . 1 . 2]" 1
1016 1 59 PHE H 1 59 PHE QD . . 4.290 2.916 2.572 3.330 . 0 0 "[ . 1 . 2]" 1
1017 1 59 PHE H 1 66 VAL HA . . 5.500 4.853 4.587 5.171 . 0 0 "[ . 1 . 2]" 1
1018 1 59 PHE H 1 66 VAL QG . . 5.500 3.665 3.133 4.011 . 0 0 "[ . 1 . 2]" 1
1019 1 59 PHE HA 1 59 PHE QD . . 3.340 2.858 2.530 3.053 . 0 0 "[ . 1 . 2]" 1
1020 1 59 PHE HA 1 60 LEU H . . 2.950 2.224 2.081 2.405 . 0 0 "[ . 1 . 2]" 1
1021 1 59 PHE HA 1 60 LEU HB2 . . 4.890 4.471 4.293 4.687 . 0 0 "[ . 1 . 2]" 1
1022 1 59 PHE HA 1 60 LEU HG . . 4.100 4.011 3.612 4.176 0.076 15 0 "[ . 1 . 2]" 1
1023 1 59 PHE HA 1 66 VAL HA . . 3.420 2.331 2.068 2.568 . 0 0 "[ . 1 . 2]" 1
1024 1 59 PHE HA 1 66 VAL HB . . 4.240 3.488 3.107 4.329 0.089 13 0 "[ . 1 . 2]" 1
1025 1 59 PHE HA 1 66 VAL QG . . 3.290 2.092 1.931 2.337 . 0 0 "[ . 1 . 2]" 1
1026 1 59 PHE HA 1 67 CYS H . . 4.280 3.769 3.445 4.030 . 0 0 "[ . 1 . 2]" 1
1027 1 59 PHE HB2 1 60 LEU H . . 4.560 4.133 3.828 4.429 . 0 0 "[ . 1 . 2]" 1
1028 1 59 PHE HB3 1 60 LEU H . . 4.030 2.915 2.454 3.369 . 0 0 "[ . 1 . 2]" 1
1029 1 59 PHE HB3 1 66 VAL QG . . 5.070 4.125 3.565 4.491 . 0 0 "[ . 1 . 2]" 1
1030 1 59 PHE QD 1 60 LEU H . . 4.240 3.096 2.601 3.774 . 0 0 "[ . 1 . 2]" 1
1031 1 59 PHE QD 1 66 VAL HA . . 4.740 4.191 3.586 4.472 . 0 0 "[ . 1 . 2]" 1
1032 1 59 PHE QD 1 66 VAL QG . . 3.680 3.111 2.277 3.608 . 0 0 "[ . 1 . 2]" 1
1033 1 59 PHE QE 1 66 VAL QG . . 4.100 3.547 2.845 4.078 . 0 0 "[ . 1 . 2]" 1
1034 1 60 LEU H 1 60 LEU HB2 . . 3.210 2.363 2.235 2.549 . 0 0 "[ . 1 . 2]" 1
1035 1 60 LEU H 1 60 LEU HB3 . . 4.040 3.598 3.510 3.710 . 0 0 "[ . 1 . 2]" 1
1036 1 60 LEU H 1 60 LEU MD1 . . 4.310 3.787 3.580 4.058 . 0 0 "[ . 1 . 2]" 1
1037 1 60 LEU H 1 60 LEU HG . . 3.680 2.805 2.414 3.130 . 0 0 "[ . 1 . 2]" 1
1038 1 60 LEU H 1 66 VAL HA . . 3.410 2.473 1.972 3.070 . 0 0 "[ . 1 . 2]" 1
1039 1 60 LEU H 1 66 VAL HB . . 5.500 4.434 3.815 5.038 . 0 0 "[ . 1 . 2]" 1
1040 1 60 LEU H 1 66 VAL QG . . 4.380 3.486 3.051 3.960 . 0 0 "[ . 1 . 2]" 1
1041 1 60 LEU H 1 67 CYS H . . 4.850 4.485 3.967 4.913 0.063 14 0 "[ . 1 . 2]" 1
1042 1 60 LEU HA 1 60 LEU MD2 . . 2.990 2.125 2.019 2.198 . 0 0 "[ . 1 . 2]" 1
1043 1 60 LEU HA 1 61 LYS H . . 2.930 2.431 2.138 2.876 . 0 0 "[ . 1 . 2]" 1
1044 1 60 LEU HB2 1 61 LYS H . . 3.700 3.604 3.218 3.783 0.083 13 0 "[ . 1 . 2]" 1
1045 1 60 LEU HB2 1 65 GLY H . . 4.780 3.626 3.327 3.748 . 0 0 "[ . 1 . 2]" 1
1046 1 60 LEU HB3 1 60 LEU MD1 . . 3.050 2.443 2.379 2.533 . 0 0 "[ . 1 . 2]" 1
1047 1 60 LEU HB3 1 61 LYS H . . 3.440 2.364 1.864 2.707 . 0 0 "[ . 1 . 2]" 1
1048 1 60 LEU HB3 1 65 GLY H . . 5.110 5.166 4.962 5.197 0.087 11 0 "[ . 1 . 2]" 1
1049 1 60 LEU HB3 1 66 VAL HA . . 5.140 4.922 4.678 5.177 0.037 13 0 "[ . 1 . 2]" 1
1050 1 60 LEU MD1 1 65 GLY HA2 . . 3.440 3.506 3.181 3.710 0.270 12 0 "[ . 1 . 2]" 1
1051 1 60 LEU MD1 1 65 GLY HA3 . . 4.210 2.237 2.036 2.587 . 0 0 "[ . 1 . 2]" 1
1052 1 60 LEU MD1 1 66 VAL H . . 4.150 2.618 2.206 2.883 . 0 0 "[ . 1 . 2]" 1
1053 1 60 LEU MD1 1 67 CYS H . . 4.540 4.351 3.793 4.628 0.088 4 0 "[ . 1 . 2]" 1
1054 1 60 LEU MD1 1 67 CYS QB . . 5.250 3.125 2.390 3.953 . 0 0 "[ . 1 . 2]" 1
1055 1 60 LEU MD2 1 61 LYS H . . 4.020 3.240 2.735 3.711 . 0 0 "[ . 1 . 2]" 1
1056 1 60 LEU MD2 1 67 CYS H . . 4.560 3.964 3.043 4.370 . 0 0 "[ . 1 . 2]" 1
1057 1 60 LEU MD2 1 67 CYS QB . . 3.540 2.367 2.183 2.634 . 0 0 "[ . 1 . 2]" 1
1058 1 60 LEU HG 1 66 VAL H . . 4.530 3.464 3.167 4.127 . 0 0 "[ . 1 . 2]" 1
1059 1 60 LEU HG 1 66 VAL HA . . 3.690 2.457 2.120 2.815 . 0 0 "[ . 1 . 2]" 1
1060 1 60 LEU HG 1 67 CYS H . . 4.710 3.403 3.118 3.762 . 0 0 "[ . 1 . 2]" 1
1061 1 60 LEU HG 1 67 CYS QB . . 4.640 3.406 2.912 4.314 . 0 0 "[ . 1 . 2]" 1
1062 1 61 LYS H 1 61 LYS HB2 . . 3.060 2.761 2.023 3.699 0.639 3 3 "[ -+ . * 1 . 2]" 1
1063 1 61 LYS H 1 61 LYS QB . . 3.310 2.315 1.998 2.829 . 0 0 "[ . 1 . 2]" 1
1064 1 61 LYS H 1 61 LYS QG . . 4.700 3.238 2.009 4.095 . 0 0 "[ . 1 . 2]" 1
1065 1 61 LYS H 1 62 GLY H . . 5.500 4.028 2.618 4.692 . 0 0 "[ . 1 . 2]" 1
1066 1 61 LYS HA 1 61 LYS QD . . 4.860 3.674 2.398 4.561 . 0 0 "[ . 1 . 2]" 1
1067 1 61 LYS HA 1 62 GLY H . . 3.250 2.573 2.098 3.338 0.088 6 0 "[ . 1 . 2]" 1
1068 1 61 LYS HB2 1 62 GLY H . . 5.500 4.082 2.540 4.676 . 0 0 "[ . 1 . 2]" 1
1069 1 61 LYS QE 1 62 GLY HA3 . . 5.140 4.688 3.889 5.227 0.087 15 0 "[ . 1 . 2]" 1
1070 1 61 LYS QG 1 62 GLY H . . 5.000 3.489 2.461 4.618 . 0 0 "[ . 1 . 2]" 1
1071 1 62 GLY H 1 63 LYS H . . 4.630 3.447 2.204 4.612 . 0 0 "[ . 1 . 2]" 1
1072 1 62 GLY HA2 1 64 LEU QD . . 5.470 4.512 3.647 5.072 . 0 0 "[ . 1 . 2]" 1
1073 1 62 GLY HA2 1 64 LEU HG . . 4.850 4.777 4.389 4.920 0.070 11 0 "[ . 1 . 2]" 1
1074 1 62 GLY HA3 1 64 LEU QD . . 4.410 3.862 2.677 4.331 . 0 0 "[ . 1 . 2]" 1
1075 1 62 GLY HA3 1 64 LEU HG . . 4.370 4.059 3.270 4.462 0.092 4 0 "[ . 1 . 2]" 1
1076 1 64 LEU HA 1 64 LEU QD . . 3.080 2.419 1.984 2.816 . 0 0 "[ . 1 . 2]" 1
1077 1 64 LEU HA 1 64 LEU HG . . 3.910 3.301 2.773 3.836 . 0 0 "[ . 1 . 2]" 1
1078 1 64 LEU HA 1 65 GLY H . . 3.400 3.116 2.815 3.323 . 0 0 "[ . 1 . 2]" 1
1079 1 65 GLY H 1 66 VAL H . . 4.990 4.347 4.241 4.471 . 0 0 "[ . 1 . 2]" 1
1080 1 65 GLY HA2 1 66 VAL H . . 3.500 2.463 2.258 2.575 . 0 0 "[ . 1 . 2]" 1
1081 1 65 GLY HA3 1 66 VAL H . . 3.430 2.681 2.535 2.803 . 0 0 "[ . 1 . 2]" 1
1082 1 66 VAL H 1 66 VAL HB . . 4.010 3.427 2.536 3.884 . 0 0 "[ . 1 . 2]" 1
1083 1 66 VAL H 1 66 VAL QG . . 3.420 2.476 2.299 3.063 . 0 0 "[ . 1 . 2]" 1
1084 1 66 VAL H 1 67 CYS H . . 4.480 4.354 4.245 4.437 . 0 0 "[ . 1 . 2]" 1
1085 1 66 VAL HA 1 67 CYS H . . 2.970 2.487 2.346 2.570 . 0 0 "[ . 1 . 2]" 1
1086 1 66 VAL QG 1 67 CYS H . . 3.630 2.562 2.059 3.219 . 0 0 "[ . 1 . 2]" 1
1087 1 66 VAL QG 1 68 PHE QD . . 4.000 3.148 2.349 3.965 . 0 0 "[ . 1 . 2]" 1
1088 1 66 VAL QG 1 88 TRP HH2 . . 5.000 4.337 3.861 4.701 . 0 0 "[ . 1 . 2]" 1
1089 1 67 CYS H 1 67 CYS QB . . 3.880 3.156 2.751 3.283 . 0 0 "[ . 1 . 2]" 1
1090 1 67 CYS H 1 68 PHE H . . 5.230 4.359 4.274 4.411 . 0 0 "[ . 1 . 2]" 1
1091 1 67 CYS H 1 68 PHE QD . . 5.420 4.424 4.083 5.047 . 0 0 "[ . 1 . 2]" 1
1092 1 67 CYS HA 1 68 PHE H . . 2.910 2.404 2.336 2.481 . 0 0 "[ . 1 . 2]" 1
1093 1 67 CYS HA 1 68 PHE QD . . 4.080 3.476 2.680 4.132 0.052 16 0 "[ . 1 . 2]" 1
1094 1 67 CYS QB 1 68 PHE H . . 3.570 2.533 2.380 3.074 . 0 0 "[ . 1 . 2]" 1
1095 1 68 PHE H 1 68 PHE QD . . 3.790 3.267 2.449 3.538 . 0 0 "[ . 1 . 2]" 1
1096 1 68 PHE H 1 69 ASP H . . 5.100 4.331 4.231 4.415 . 0 0 "[ . 1 . 2]" 1
1097 1 68 PHE HA 1 68 PHE QD . . 3.680 3.757 3.716 3.768 0.088 14 0 "[ . 1 . 2]" 1
1098 1 68 PHE HA 1 69 ASP H . . 3.100 2.395 2.274 2.645 . 0 0 "[ . 1 . 2]" 1
1099 1 68 PHE HB2 1 69 ASP H . . 3.750 2.521 2.250 2.859 . 0 0 "[ . 1 . 2]" 1
1100 1 68 PHE HB3 1 69 ASP H . . 4.080 3.786 3.549 3.985 . 0 0 "[ . 1 . 2]" 1
1101 1 68 PHE QD 1 69 ASP H . . 3.880 3.557 3.035 3.969 0.089 6 0 "[ . 1 . 2]" 1
1102 1 68 PHE QD 1 70 VAL H . . 5.500 4.362 3.742 5.560 0.060 10 0 "[ . 1 . 2]" 1
1103 1 68 PHE QD 1 70 VAL QG . . 3.030 2.161 1.999 2.560 . 0 0 "[ . 1 . 2]" 1
1104 1 69 ASP H 1 69 ASP QB . . 3.380 2.464 2.202 2.680 . 0 0 "[ . 1 . 2]" 1
1105 1 69 ASP HA 1 70 VAL H . . 2.900 2.276 2.195 2.352 . 0 0 "[ . 1 . 2]" 1
1106 1 69 ASP HA 1 70 VAL QG . . 4.500 3.322 3.103 3.663 . 0 0 "[ . 1 . 2]" 1
1107 1 69 ASP QB 1 70 VAL H . . 3.810 3.001 2.713 3.248 . 0 0 "[ . 1 . 2]" 1
1108 1 70 VAL H 1 70 VAL HB . . 4.180 3.739 3.642 3.849 . 0 0 "[ . 1 . 2]" 1
1109 1 70 VAL H 1 70 VAL QG . . 3.380 2.216 2.012 2.322 . 0 0 "[ . 1 . 2]" 1
1110 1 70 VAL HA 1 70 VAL QG . . 3.330 2.220 2.087 2.362 . 0 0 "[ . 1 . 2]" 1
1111 1 70 VAL HA 1 71 PRO HD2 . . 3.370 2.468 2.302 2.610 . 0 0 "[ . 1 . 2]" 1
1112 1 70 VAL HA 1 71 PRO HD3 . . 2.970 2.532 2.149 2.700 . 0 0 "[ . 1 . 2]" 1
1113 1 70 VAL HA 1 71 PRO HG2 . . 4.630 4.607 4.479 4.698 0.068 6 0 "[ . 1 . 2]" 1
1114 1 70 VAL HA 1 71 PRO HG3 . . 4.740 4.681 4.384 4.744 0.004 2 0 "[ . 1 . 2]" 1
1115 1 70 VAL HB 1 71 PRO HD2 . . 3.160 2.254 2.109 2.494 . 0 0 "[ . 1 . 2]" 1
1116 1 70 VAL HB 1 71 PRO HD3 . . 3.840 3.694 3.564 3.879 0.039 17 0 "[ . 1 . 2]" 1
1117 1 70 VAL HB 1 74 SER QB . . 4.630 3.157 2.114 4.360 . 0 0 "[ . 1 . 2]" 1
1118 1 70 VAL QG 1 71 PRO HD2 . . 4.220 2.655 2.252 3.177 . 0 0 "[ . 1 . 2]" 1
1119 1 70 VAL QG 1 71 PRO HD3 . . 4.410 3.545 2.898 3.918 . 0 0 "[ . 1 . 2]" 1
1120 1 70 VAL QG 1 74 SER QB . . 4.850 3.446 2.463 4.301 . 0 0 "[ . 1 . 2]" 1
1121 1 71 PRO HA 1 72 THR H . . 2.920 2.235 2.129 2.318 . 0 0 "[ . 1 . 2]" 1
1122 1 71 PRO HA 1 73 ALA H . . 4.570 4.084 3.721 4.423 . 0 0 "[ . 1 . 2]" 1
1123 1 71 PRO HB2 1 73 ALA H . . 4.180 2.786 2.434 3.219 . 0 0 "[ . 1 . 2]" 1
1124 1 71 PRO HB2 1 73 ALA MB . . 4.130 3.008 2.397 3.605 . 0 0 "[ . 1 . 2]" 1
1125 1 71 PRO HB2 1 74 SER H . . 4.030 3.050 2.700 3.240 . 0 0 "[ . 1 . 2]" 1
1126 1 71 PRO HB2 1 74 SER QB . . 5.070 3.724 2.447 4.339 . 0 0 "[ . 1 . 2]" 1
1127 1 71 PRO HB3 1 72 THR H . . 4.190 3.857 3.490 4.212 0.022 19 0 "[ . 1 . 2]" 1
1128 1 71 PRO HB3 1 73 ALA H . . 4.300 4.275 3.898 4.376 0.076 20 0 "[ . 1 . 2]" 1
1129 1 71 PRO HB3 1 73 ALA MB . . 5.370 4.404 3.754 5.075 . 0 0 "[ . 1 . 2]" 1
1130 1 71 PRO HB3 1 74 SER H . . 4.590 4.648 4.443 4.675 0.085 3 0 "[ . 1 . 2]" 1
1131 1 71 PRO HB3 1 74 SER QB . . 5.310 4.702 3.852 5.181 . 0 0 "[ . 1 . 2]" 1
1132 1 71 PRO HG2 1 73 ALA H . . 5.380 4.454 3.909 5.151 . 0 0 "[ . 1 . 2]" 1
1133 1 71 PRO HG2 1 74 SER QB . . 4.300 2.168 1.994 2.418 . 0 0 "[ . 1 . 2]" 1
1134 1 71 PRO HG2 1 75 VAL H . . 4.550 4.456 3.980 4.633 0.083 18 0 "[ . 1 . 2]" 1
1135 1 72 THR H 1 72 THR HB . . 3.470 2.539 2.307 2.817 . 0 0 "[ . 1 . 2]" 1
1136 1 72 THR H 1 72 THR MG . . 3.850 3.650 3.512 3.734 . 0 0 "[ . 1 . 2]" 1
1137 1 72 THR H 1 73 ALA H . . 3.850 2.893 2.632 3.059 . 0 0 "[ . 1 . 2]" 1
1138 1 72 THR H 1 73 ALA MB . . 5.420 4.522 4.258 4.719 . 0 0 "[ . 1 . 2]" 1
1139 1 72 THR H 1 74 SER H . . 4.390 4.337 4.130 4.460 0.070 1 0 "[ . 1 . 2]" 1
1140 1 72 THR HA 1 72 THR MG . . 3.150 2.382 2.239 2.592 . 0 0 "[ . 1 . 2]" 1
1141 1 72 THR HA 1 74 SER H . . 4.330 4.026 3.552 4.395 0.065 5 0 "[ . 1 . 2]" 1
1142 1 72 THR HA 1 75 VAL H . . 4.260 3.171 2.712 3.787 . 0 0 "[ . 1 . 2]" 1
1143 1 72 THR HA 1 75 VAL HB . . 4.790 2.709 2.199 4.112 . 0 0 "[ . 1 . 2]" 1
1144 1 72 THR HA 1 75 VAL QG . . 3.230 2.163 1.944 2.386 . 0 0 "[ . 1 . 2]" 1
1145 1 72 THR HB 1 73 ALA H . . 3.260 2.758 2.594 3.061 . 0 0 "[ . 1 . 2]" 1
1146 1 72 THR HB 1 73 ALA MB . . 4.750 4.041 3.709 4.326 . 0 0 "[ . 1 . 2]" 1
1147 1 72 THR MG 1 73 ALA H . . 4.040 3.747 3.555 3.990 . 0 0 "[ . 1 . 2]" 1
1148 1 72 THR MG 1 73 ALA HA . . 4.680 3.946 3.815 4.196 . 0 0 "[ . 1 . 2]" 1
1149 1 72 THR MG 1 73 ALA MB . . 4.300 4.402 4.357 4.433 0.133 20 0 "[ . 1 . 2]" 1
1150 1 72 THR MG 1 75 VAL H . . 5.140 4.563 4.120 4.998 . 0 0 "[ . 1 . 2]" 1
1151 1 73 ALA H 1 73 ALA MB . . 2.940 2.208 2.140 2.265 . 0 0 "[ . 1 . 2]" 1
1152 1 73 ALA H 1 74 SER H . . 3.290 2.773 2.459 2.978 . 0 0 "[ . 1 . 2]" 1
1153 1 73 ALA H 1 74 SER HA . . 5.370 5.376 5.139 5.442 0.072 2 0 "[ . 1 . 2]" 1
1154 1 73 ALA H 1 75 VAL H . . 4.660 4.095 3.896 4.270 . 0 0 "[ . 1 . 2]" 1
1155 1 73 ALA HA 1 75 VAL H . . 4.550 4.364 3.816 4.610 0.060 6 0 "[ . 1 . 2]" 1
1156 1 73 ALA MB 1 74 SER H . . 3.800 2.952 2.492 3.446 . 0 0 "[ . 1 . 2]" 1
1157 1 73 ALA MB 1 74 SER HA . . 5.080 4.129 3.870 4.447 . 0 0 "[ . 1 . 2]" 1
1158 1 73 ALA MB 1 75 VAL H . . 4.960 4.616 4.360 4.937 . 0 0 "[ . 1 . 2]" 1
1159 1 74 SER H 1 74 SER QB . . 3.200 2.441 1.899 2.657 . 0 0 "[ . 1 . 2]" 1
1160 1 74 SER H 1 75 VAL H . . 3.010 2.275 1.896 2.686 . 0 0 "[ . 1 . 2]" 1
1161 1 74 SER H 1 75 VAL HA . . 5.120 4.844 4.496 5.163 0.043 16 0 "[ . 1 . 2]" 1
1162 1 74 SER H 1 75 VAL QG . . 4.570 3.664 3.417 4.030 . 0 0 "[ . 1 . 2]" 1
1163 1 74 SER H 1 77 GLU H . . 5.500 5.101 4.644 5.563 0.063 19 0 "[ . 1 . 2]" 1
1164 1 74 SER HA 1 77 GLU H . . 4.200 3.167 2.713 3.669 . 0 0 "[ . 1 . 2]" 1
1165 1 74 SER HA 1 77 GLU QB . . 4.310 2.637 2.054 4.142 . 0 0 "[ . 1 . 2]" 1
1166 1 74 SER HA 1 78 ILE H . . 5.260 4.410 3.851 5.297 0.037 19 0 "[ . 1 . 2]" 1
1167 1 74 SER QB 1 75 VAL H . . 4.230 3.139 2.676 3.714 . 0 0 "[ . 1 . 2]" 1
1168 1 74 SER QB 1 75 VAL QG . . 4.700 3.848 3.562 4.410 . 0 0 "[ . 1 . 2]" 1
1169 1 74 SER QB 1 77 GLU H . . 5.500 4.546 3.933 5.102 . 0 0 "[ . 1 . 2]" 1
1170 1 74 SER QB 1 78 ILE MD . . 4.110 2.712 2.147 3.309 . 0 0 "[ . 1 . 2]" 1
1171 1 75 VAL H 1 75 VAL HB . . 3.060 2.455 2.311 2.639 . 0 0 "[ . 1 . 2]" 1
1172 1 75 VAL H 1 75 VAL QG . . 3.000 2.184 1.988 2.478 . 0 0 "[ . 1 . 2]" 1
1173 1 75 VAL H 1 76 THR H . . 3.410 2.941 2.703 3.155 . 0 0 "[ . 1 . 2]" 1
1174 1 75 VAL H 1 78 ILE MD . . 5.050 3.750 3.246 4.224 . 0 0 "[ . 1 . 2]" 1
1175 1 75 VAL HA 1 77 GLU H . . 5.230 4.233 3.783 4.757 . 0 0 "[ . 1 . 2]" 1
1176 1 75 VAL HA 1 78 ILE H . . 4.100 3.742 3.377 4.061 . 0 0 "[ . 1 . 2]" 1
1177 1 75 VAL HA 1 78 ILE HB . . 3.730 3.213 2.474 3.794 0.064 8 0 "[ . 1 . 2]" 1
1178 1 75 VAL HA 1 78 ILE MD . . 3.660 2.201 1.931 2.730 . 0 0 "[ . 1 . 2]" 1
1179 1 75 VAL HA 1 79 GLN H . . 4.770 4.301 3.887 4.841 0.071 2 0 "[ . 1 . 2]" 1
1180 1 75 VAL HB 1 76 THR H . . 3.200 2.596 2.309 3.081 . 0 0 "[ . 1 . 2]" 1
1181 1 76 THR H 1 76 THR HB . . 3.690 2.586 2.235 3.000 . 0 0 "[ . 1 . 2]" 1
1182 1 76 THR H 1 76 THR MG . . 4.590 3.551 2.381 3.780 . 0 0 "[ . 1 . 2]" 1
1183 1 76 THR H 1 77 GLU H . . 3.340 2.771 2.427 3.037 . 0 0 "[ . 1 . 2]" 1
1184 1 76 THR HA 1 78 ILE MD . . 5.500 5.600 5.577 5.623 0.123 9 0 "[ . 1 . 2]" 1
1185 1 76 THR HA 1 79 GLN H . . 4.470 3.688 3.102 4.195 . 0 0 "[ . 1 . 2]" 1
1186 1 76 THR HA 1 79 GLN HB2 . . 3.910 3.252 2.246 4.014 0.104 2 0 "[ . 1 . 2]" 1
1187 1 76 THR HB 1 77 GLU H . . 3.820 3.157 2.430 3.904 0.084 7 0 "[ . 1 . 2]" 1
1188 1 76 THR MG 1 77 GLU H . . 4.570 3.818 2.260 4.470 . 0 0 "[ . 1 . 2]" 1
1189 1 76 THR MG 1 77 GLU HA . . 4.720 4.042 3.235 4.774 0.054 5 0 "[ . 1 . 2]" 1
1190 1 76 THR MG 1 80 GLU H . . 4.870 4.632 3.871 4.971 0.101 6 0 "[ . 1 . 2]" 1
1191 1 76 THR MG 1 80 GLU HG3 . . 4.880 4.007 2.295 5.423 0.543 17 1 "[ . 1 . + 2]" 1
1192 1 77 GLU H 1 77 GLU QB . . 3.080 2.244 1.985 2.624 . 0 0 "[ . 1 . 2]" 1
1193 1 77 GLU H 1 77 GLU HG2 . . 5.130 4.133 1.940 4.665 . 0 0 "[ . 1 . 2]" 1
1194 1 77 GLU H 1 77 GLU HG3 . . 5.350 4.222 2.974 4.616 . 0 0 "[ . 1 . 2]" 1
1195 1 77 GLU H 1 78 ILE MD . . 5.180 4.239 3.609 4.945 . 0 0 "[ . 1 . 2]" 1
1196 1 77 GLU H 1 78 ILE HG13 . . 5.380 4.324 3.654 5.244 . 0 0 "[ . 1 . 2]" 1
1197 1 77 GLU H 1 79 GLN H . . 5.030 4.201 3.776 4.696 . 0 0 "[ . 1 . 2]" 1
1198 1 77 GLU HA 1 77 GLU HG3 . . 3.930 2.711 2.209 3.836 . 0 0 "[ . 1 . 2]" 1
1199 1 77 GLU HA 1 79 GLN H . . 4.940 4.719 4.316 4.989 0.049 5 0 "[ . 1 . 2]" 1
1200 1 77 GLU HA 1 80 GLU H . . 3.940 3.759 3.345 4.012 0.072 5 0 "[ . 1 . 2]" 1
1201 1 77 GLU HA 1 81 LYS H . . 5.470 4.544 3.979 5.304 . 0 0 "[ . 1 . 2]" 1
1202 1 77 GLU HG3 1 78 ILE HG13 . . 5.500 5.335 2.559 6.390 0.890 2 3 "[ + . 1 .* -]" 1
1203 1 78 ILE H 1 78 ILE HB . . 2.820 2.481 2.338 2.792 . 0 0 "[ . 1 . 2]" 1
1204 1 78 ILE H 1 78 ILE MD . . 3.840 2.989 2.092 3.588 . 0 0 "[ . 1 . 2]" 1
1205 1 78 ILE H 1 78 ILE HG13 . . 3.810 2.430 2.083 3.114 . 0 0 "[ . 1 . 2]" 1
1206 1 78 ILE H 1 78 ILE MG . . 4.070 3.775 3.709 3.929 . 0 0 "[ . 1 . 2]" 1
1207 1 78 ILE H 1 79 GLN H . . 3.430 2.649 1.981 3.094 . 0 0 "[ . 1 . 2]" 1
1208 1 78 ILE H 1 80 GLU H . . 4.210 4.004 3.116 4.288 0.078 12 0 "[ . 1 . 2]" 1
1209 1 78 ILE HA 1 78 ILE HG12 . . 3.660 2.957 2.709 3.284 . 0 0 "[ . 1 . 2]" 1
1210 1 78 ILE HA 1 78 ILE HG13 . . 3.160 2.700 2.193 2.936 . 0 0 "[ . 1 . 2]" 1
1211 1 78 ILE HA 1 78 ILE MG . . 3.440 2.409 2.286 2.578 . 0 0 "[ . 1 . 2]" 1
1212 1 78 ILE HA 1 80 GLU H . . 5.090 4.340 3.702 4.719 . 0 0 "[ . 1 . 2]" 1
1213 1 78 ILE HA 1 81 LYS H . . 4.300 3.396 3.162 3.685 . 0 0 "[ . 1 . 2]" 1
1214 1 78 ILE HA 1 81 LYS QB . . 4.460 2.914 2.342 4.142 . 0 0 "[ . 1 . 2]" 1
1215 1 78 ILE HA 1 82 TRP H . . 5.410 4.517 3.662 5.318 . 0 0 "[ . 1 . 2]" 1
1216 1 78 ILE HB 1 78 ILE MD . . 2.850 2.174 2.081 2.239 . 0 0 "[ . 1 . 2]" 1
1217 1 78 ILE HB 1 79 GLN H . . 3.310 2.555 2.385 2.910 . 0 0 "[ . 1 . 2]" 1
1218 1 78 ILE HB 1 80 GLU H . . 5.190 4.979 4.726 5.227 0.037 19 0 "[ . 1 . 2]" 1
1219 1 78 ILE MD 1 79 GLN H . . 4.600 4.112 3.792 4.498 . 0 0 "[ . 1 . 2]" 1
1220 1 78 ILE HG12 1 78 ILE MG . . 3.450 2.235 2.137 2.288 . 0 0 "[ . 1 . 2]" 1
1221 1 78 ILE HG13 1 78 ILE MG . . 3.070 3.140 2.930 3.170 0.100 1 0 "[ . 1 . 2]" 1
1222 1 78 ILE HG13 1 79 GLN H . . 5.060 4.460 4.291 4.800 . 0 0 "[ . 1 . 2]" 1
1223 1 78 ILE MG 1 79 GLN H . . 3.990 3.363 3.119 3.621 . 0 0 "[ . 1 . 2]" 1
1224 1 78 ILE MG 1 79 GLN HA . . 4.130 3.413 3.135 3.644 . 0 0 "[ . 1 . 2]" 1
1225 1 78 ILE MG 1 79 GLN HB2 . . 5.120 5.075 4.647 5.209 0.089 14 0 "[ . 1 . 2]" 1
1226 1 78 ILE MG 1 79 GLN HG2 . . 4.180 3.491 2.986 3.870 . 0 0 "[ . 1 . 2]" 1
1227 1 78 ILE MG 1 79 GLN HG3 . . 5.070 4.605 3.567 5.167 0.097 8 0 "[ . 1 . 2]" 1
1228 1 78 ILE MG 1 81 LYS H . . 5.500 4.505 4.210 4.925 . 0 0 "[ . 1 . 2]" 1
1229 1 78 ILE MG 1 82 TRP H . . 5.260 4.456 3.796 5.013 . 0 0 "[ . 1 . 2]" 1
1230 1 78 ILE MG 1 82 TRP QB . . 3.870 3.088 2.659 3.749 . 0 0 "[ . 1 . 2]" 1
1231 1 78 ILE MG 1 90 LEU QD . . 3.780 2.613 2.084 3.489 . 0 0 "[ . 1 . 2]" 1
1232 1 79 GLN H 1 79 GLN HB2 . . 3.170 2.491 2.286 2.728 . 0 0 "[ . 1 . 2]" 1
1233 1 79 GLN H 1 79 GLN HB3 . . 3.720 3.603 3.530 3.670 . 0 0 "[ . 1 . 2]" 1
1234 1 79 GLN H 1 79 GLN HG2 . . 3.900 2.563 1.936 3.169 . 0 0 "[ . 1 . 2]" 1
1235 1 79 GLN H 1 79 GLN HG3 . . 3.420 2.994 2.306 3.486 0.066 19 0 "[ . 1 . 2]" 1
1236 1 79 GLN H 1 80 GLU H . . 3.340 2.749 2.468 2.960 . 0 0 "[ . 1 . 2]" 1
1237 1 79 GLN H 1 81 LYS H . . 5.420 4.075 3.894 4.369 . 0 0 "[ . 1 . 2]" 1
1238 1 79 GLN HA 1 79 GLN QE . . 5.070 3.833 2.677 4.363 . 0 0 "[ . 1 . 2]" 1
1239 1 79 GLN HA 1 79 GLN HG2 . . 3.100 2.633 2.205 3.179 0.079 13 0 "[ . 1 . 2]" 1
1240 1 79 GLN HA 1 79 GLN HG3 . . 3.680 3.593 3.300 3.765 0.085 10 0 "[ . 1 . 2]" 1
1241 1 79 GLN HA 1 81 LYS H . . 4.510 4.103 3.627 4.589 0.079 17 0 "[ . 1 . 2]" 1
1242 1 79 GLN HA 1 82 TRP H . . 4.240 3.720 3.139 4.299 0.059 15 0 "[ . 1 . 2]" 1
1243 1 79 GLN HA 1 82 TRP QB . . 3.690 3.034 2.483 3.748 0.058 5 0 "[ . 1 . 2]" 1
1244 1 79 GLN HA 1 90 LEU QD . . 4.770 4.019 3.373 4.802 0.032 5 0 "[ . 1 . 2]" 1
1245 1 79 GLN HB2 1 80 GLU H . . 4.170 3.031 2.645 3.609 . 0 0 "[ . 1 . 2]" 1
1246 1 79 GLN HB3 1 80 GLU H . . 4.290 3.959 3.500 4.324 0.034 5 0 "[ . 1 . 2]" 1
1247 1 79 GLN QE 1 90 LEU QD . . 5.500 3.357 2.383 4.129 . 0 0 "[ . 1 . 2]" 1
1248 1 79 GLN QE 1 91 SER HA . . 5.500 3.161 2.292 4.299 . 0 0 "[ . 1 . 2]" 1
1249 1 79 GLN QE 1 92 VAL QG . . 4.140 2.646 1.880 3.488 . 0 0 "[ . 1 . 2]" 1
1250 1 79 GLN HG2 1 80 GLU H . . 4.850 4.705 4.197 4.931 0.081 17 0 "[ . 1 . 2]" 1
1251 1 79 GLN HG2 1 90 LEU QD . . 5.310 4.094 3.141 4.903 . 0 0 "[ . 1 . 2]" 1
1252 1 80 GLU H 1 80 GLU HB2 . . 2.940 2.128 2.010 2.618 . 0 0 "[ . 1 . 2]" 1
1253 1 80 GLU H 1 80 GLU HB3 . . 3.270 3.154 2.027 3.357 0.087 19 0 "[ . 1 . 2]" 1
1254 1 80 GLU H 1 80 GLU HG2 . . 4.080 3.890 2.979 4.174 0.094 15 0 "[ . 1 . 2]" 1
1255 1 80 GLU H 1 80 GLU HG3 . . 3.950 3.497 2.607 4.178 0.228 20 0 "[ . 1 . 2]" 1
1256 1 80 GLU H 1 81 LYS H . . 3.200 2.543 2.155 2.955 . 0 0 "[ . 1 . 2]" 1
1257 1 80 GLU HA 1 80 GLU HG2 . . 4.050 2.453 2.118 3.672 . 0 0 "[ . 1 . 2]" 1
1258 1 80 GLU HA 1 80 GLU HG3 . . 3.670 2.972 2.250 3.682 0.012 13 0 "[ . 1 . 2]" 1
1259 1 80 GLU HB2 1 81 LYS H . . 3.990 3.437 2.783 4.049 0.059 20 0 "[ . 1 . 2]" 1
1260 1 80 GLU HB3 1 81 LYS H . . 3.880 3.453 2.538 3.942 0.062 11 0 "[ . 1 . 2]" 1
1261 1 81 LYS H 1 81 LYS QB . . 3.170 2.394 2.197 2.712 . 0 0 "[ . 1 . 2]" 1
1262 1 81 LYS H 1 81 LYS QD . . 5.210 4.510 3.897 4.940 . 0 0 "[ . 1 . 2]" 1
1263 1 81 LYS H 1 81 LYS HG2 . . 4.230 3.232 2.350 4.131 . 0 0 "[ . 1 . 2]" 1
1264 1 81 LYS H 1 81 LYS HG3 . . 4.090 3.497 2.313 4.167 0.077 11 0 "[ . 1 . 2]" 1
1265 1 81 LYS H 1 82 TRP H . . 2.980 2.457 2.064 3.018 0.038 1 0 "[ . 1 . 2]" 1
1266 1 81 LYS H 1 82 TRP HA . . 5.380 5.006 4.569 5.352 . 0 0 "[ . 1 . 2]" 1
1267 1 81 LYS H 1 82 TRP QB . . 4.260 3.983 3.416 4.310 0.050 19 0 "[ . 1 . 2]" 1
1268 1 81 LYS HA 1 81 LYS QE . . 5.110 3.572 1.889 4.937 . 0 0 "[ . 1 . 2]" 1
1269 1 81 LYS HA 1 81 LYS HG2 . . 3.520 2.749 2.222 3.959 0.439 14 0 "[ . 1 . 2]" 1
1270 1 81 LYS HA 1 81 LYS HG3 . . 4.050 3.562 2.908 3.824 . 0 0 "[ . 1 . 2]" 1
1271 1 81 LYS QB 1 81 LYS QE . . 4.430 2.588 2.063 3.563 . 0 0 "[ . 1 . 2]" 1
1272 1 81 LYS QB 1 82 TRP H . . 4.250 3.524 3.050 3.891 . 0 0 "[ . 1 . 2]" 1
1273 1 81 LYS QE 1 81 LYS HG2 . . 3.740 2.675 2.190 3.321 . 0 0 "[ . 1 . 2]" 1
1274 1 82 TRP H 1 82 TRP QB . . 2.920 2.327 2.080 2.804 . 0 0 "[ . 1 . 2]" 1
1275 1 82 TRP H 1 82 TRP HD1 . . 4.640 4.646 4.324 4.718 0.078 16 0 "[ . 1 . 2]" 1
1276 1 82 TRP H 1 83 HIS H . . 4.630 4.485 3.956 4.674 0.044 12 0 "[ . 1 . 2]" 1
1277 1 82 TRP H 1 90 LEU QD . . 5.500 5.287 5.010 5.449 . 0 0 "[ . 1 . 2]" 1
1278 1 82 TRP HA 1 82 TRP HE3 . . 4.110 3.146 2.535 4.051 . 0 0 "[ . 1 . 2]" 1
1279 1 82 TRP HA 1 83 HIS H . . 2.870 2.351 2.122 2.549 . 0 0 "[ . 1 . 2]" 1
1280 1 82 TRP HA 1 83 HIS HA . . 4.700 4.523 4.398 4.649 . 0 0 "[ . 1 . 2]" 1
1281 1 82 TRP HA 1 83 HIS QB . . 4.720 4.359 4.041 4.612 . 0 0 "[ . 1 . 2]" 1
1282 1 82 TRP HA 1 90 LEU QD . . 5.500 4.879 4.416 5.091 . 0 0 "[ . 1 . 2]" 1
1283 1 82 TRP QB 1 82 TRP HD1 . . 3.080 2.559 2.417 2.811 . 0 0 "[ . 1 . 2]" 1
1284 1 82 TRP QB 1 82 TRP HE3 . . 3.620 2.692 2.508 2.873 . 0 0 "[ . 1 . 2]" 1
1285 1 82 TRP QB 1 83 HIS H . . 4.670 3.571 3.170 3.859 . 0 0 "[ . 1 . 2]" 1
1286 1 82 TRP QB 1 90 LEU QD . . 3.740 3.132 2.649 3.422 . 0 0 "[ . 1 . 2]" 1
1287 1 82 TRP HD1 1 83 HIS H . . 3.910 3.598 3.143 3.972 0.062 15 0 "[ . 1 . 2]" 1
1288 1 82 TRP HD1 1 83 HIS HA . . 3.960 3.438 2.613 3.968 0.008 16 0 "[ . 1 . 2]" 1
1289 1 82 TRP HD1 1 84 ASP H . . 3.780 3.232 2.032 3.858 0.078 2 0 "[ . 1 . 2]" 1
1290 1 82 TRP HD1 1 84 ASP HA . . 4.550 3.838 3.442 4.355 . 0 0 "[ . 1 . 2]" 1
1291 1 82 TRP HD1 1 90 LEU H . . 4.940 4.339 3.933 4.688 . 0 0 "[ . 1 . 2]" 1
1292 1 82 TRP HD1 1 90 LEU HB2 . . 4.400 3.095 2.683 3.849 . 0 0 "[ . 1 . 2]" 1
1293 1 82 TRP HE1 1 84 ASP H . . 4.460 3.478 2.287 4.476 0.016 20 0 "[ . 1 . 2]" 1
1294 1 82 TRP HE1 1 84 ASP HA . . 3.190 2.145 1.816 2.801 . 0 0 "[ . 1 . 2]" 1
1295 1 82 TRP HE1 1 85 SER H . . 4.650 3.940 3.405 4.669 0.019 3 0 "[ . 1 . 2]" 1
1296 1 82 TRP HE1 1 89 GLN HA . . 4.010 3.258 2.414 3.839 . 0 0 "[ . 1 . 2]" 1
1297 1 82 TRP HE1 1 90 LEU H . . 3.670 2.890 2.449 3.330 . 0 0 "[ . 1 . 2]" 1
1298 1 82 TRP HE1 1 90 LEU HB2 . . 5.020 2.676 2.419 3.009 . 0 0 "[ . 1 . 2]" 1
1299 1 82 TRP HE1 1 90 LEU HB3 . . 4.690 4.376 4.135 4.747 0.057 20 0 "[ . 1 . 2]" 1
1300 1 82 TRP HE1 1 90 LEU QD . . 5.500 3.123 2.817 3.520 . 0 0 "[ . 1 . 2]" 1
1301 1 82 TRP HE3 1 90 LEU QD . . 4.140 3.388 3.097 3.737 . 0 0 "[ . 1 . 2]" 1
1302 1 82 TRP HH2 1 88 TRP HB2 . . 4.160 3.403 2.938 4.032 . 0 0 "[ . 1 . 2]" 1
1303 1 82 TRP HH2 1 88 TRP HB3 . . 3.740 3.025 2.615 3.805 0.065 20 0 "[ . 1 . 2]" 1
1304 1 82 TRP HH2 1 90 LEU QD . . 3.830 3.144 2.946 3.436 . 0 0 "[ . 1 . 2]" 1
1305 1 82 TRP HZ2 1 84 ASP HA . . 4.140 3.578 2.687 4.230 0.090 2 0 "[ . 1 . 2]" 1
1306 1 82 TRP HZ2 1 85 SER H . . 4.600 3.822 2.980 4.671 0.071 13 0 "[ . 1 . 2]" 1
1307 1 82 TRP HZ2 1 88 TRP HA . . 4.900 4.505 4.262 4.980 0.080 20 0 "[ . 1 . 2]" 1
1308 1 82 TRP HZ2 1 88 TRP HB2 . . 3.480 2.666 2.289 3.286 . 0 0 "[ . 1 . 2]" 1
1309 1 82 TRP HZ2 1 88 TRP HB3 . . 3.250 2.453 2.221 2.739 . 0 0 "[ . 1 . 2]" 1
1310 1 82 TRP HZ2 1 89 GLN H . . 5.500 4.462 3.912 5.106 . 0 0 "[ . 1 . 2]" 1
1311 1 82 TRP HZ2 1 89 GLN HA . . 4.330 3.836 3.169 4.396 0.066 6 0 "[ . 1 . 2]" 1
1312 1 82 TRP HZ2 1 90 LEU H . . 4.420 4.308 3.606 4.502 0.082 7 0 "[ . 1 . 2]" 1
1313 1 82 TRP HZ2 1 90 LEU HB2 . . 4.260 4.293 3.663 4.341 0.081 18 0 "[ . 1 . 2]" 1
1314 1 82 TRP HZ2 1 90 LEU QD . . 3.310 2.574 2.305 2.923 . 0 0 "[ . 1 . 2]" 1
1315 1 83 HIS H 1 83 HIS QB . . 3.700 2.716 2.301 3.117 . 0 0 "[ . 1 . 2]" 1
1316 1 83 HIS H 1 83 HIS HD2 . . 5.070 4.712 3.476 5.161 0.091 2 0 "[ . 1 . 2]" 1
1317 1 83 HIS H 1 84 ASP H . . 5.060 3.770 2.071 4.362 . 0 0 "[ . 1 . 2]" 1
1318 1 83 HIS HA 1 84 ASP H . . 3.080 2.337 2.116 3.161 0.081 17 0 "[ . 1 . 2]" 1
1319 1 83 HIS QB 1 84 ASP H . . 4.280 3.438 2.676 3.973 . 0 0 "[ . 1 . 2]" 1
1320 1 84 ASP H 1 84 ASP HB2 . . 3.630 3.297 2.067 3.719 0.089 17 0 "[ . 1 . 2]" 1
1321 1 84 ASP H 1 84 ASP HB3 . . 3.270 2.983 2.291 3.724 0.454 15 0 "[ . 1 . 2]" 1
1322 1 84 ASP H 1 85 SER H . . 4.920 4.532 4.209 4.712 . 0 0 "[ . 1 . 2]" 1
1323 1 84 ASP HA 1 85 SER H . . 2.980 2.298 1.911 2.662 . 0 0 "[ . 1 . 2]" 1
1324 1 84 ASP HA 1 89 GLN HA . . 4.120 3.459 2.861 4.034 . 0 0 "[ . 1 . 2]" 1
1325 1 84 ASP HA 1 90 LEU H . . 4.760 4.135 3.336 4.712 . 0 0 "[ . 1 . 2]" 1
1326 1 84 ASP HB2 1 85 SER H . . 3.700 3.263 2.499 4.305 0.605 8 3 "[ . +-1 *. 2]" 1
1327 1 84 ASP HB2 1 89 GLN HA . . 4.750 3.811 2.261 5.035 0.285 15 0 "[ . 1 . 2]" 1
1328 1 84 ASP HB2 1 89 GLN QG . . 4.390 3.464 2.207 5.169 0.779 9 1 "[ . +1 . 2]" 1
1329 1 84 ASP HB2 1 90 LEU H . . 5.500 4.721 3.167 6.422 0.922 15 1 "[ . 1 + 2]" 1
1330 1 84 ASP HB3 1 85 SER H . . 4.220 3.771 2.023 4.307 0.087 6 0 "[ . 1 . 2]" 1
1331 1 84 ASP HB3 1 89 GLN HA . . 4.960 4.113 2.629 5.047 0.087 7 0 "[ . 1 . 2]" 1
1332 1 85 SER H 1 85 SER HB2 . . 4.120 2.958 2.285 3.578 . 0 0 "[ . 1 . 2]" 1
1333 1 85 SER H 1 86 ARG H . . 5.500 4.389 4.165 4.667 . 0 0 "[ . 1 . 2]" 1
1334 1 85 SER H 1 87 ARG H . . 5.140 4.374 4.004 5.011 . 0 0 "[ . 1 . 2]" 1
1335 1 85 SER H 1 88 TRP H . . 3.870 3.419 2.906 3.939 0.069 1 0 "[ . 1 . 2]" 1
1336 1 85 SER H 1 88 TRP HB2 . . 5.000 3.642 2.670 4.724 . 0 0 "[ . 1 . 2]" 1
1337 1 85 SER H 1 89 GLN HA . . 4.580 3.917 3.342 4.606 0.026 8 0 "[ . 1 . 2]" 1
1338 1 85 SER H 1 89 GLN HE21 . . 5.150 3.746 2.370 5.223 0.073 11 0 "[ . 1 . 2]" 1
1339 1 85 SER H 1 89 GLN QG . . 5.500 4.205 3.246 5.308 . 0 0 "[ . 1 . 2]" 1
1340 1 85 SER HA 1 87 ARG H . . 5.100 4.357 3.886 4.851 . 0 0 "[ . 1 . 2]" 1
1341 1 85 SER HB2 1 86 ARG H . . 4.080 3.644 3.052 4.070 . 0 0 "[ . 1 . 2]" 1
1342 1 85 SER HB2 1 88 TRP H . . 5.280 3.935 2.402 5.452 0.172 6 0 "[ . 1 . 2]" 1
1343 1 85 SER HB3 1 86 ARG H . . 3.820 2.983 2.197 3.873 0.053 20 0 "[ . 1 . 2]" 1
1344 1 86 ARG H 1 86 ARG QB . . 3.740 2.343 1.953 3.464 . 0 0 "[ . 1 . 2]" 1
1345 1 86 ARG H 1 86 ARG HG2 . . 4.880 3.665 2.222 4.504 . 0 0 "[ . 1 . 2]" 1
1346 1 86 ARG H 1 86 ARG HG3 . . 5.020 3.399 2.137 4.480 . 0 0 "[ . 1 . 2]" 1
1347 1 86 ARG H 1 87 ARG H . . 3.820 3.026 2.481 3.884 0.064 10 0 "[ . 1 . 2]" 1
1348 1 86 ARG H 1 88 TRP H . . 5.500 4.387 4.019 4.715 . 0 0 "[ . 1 . 2]" 1
1349 1 86 ARG HA 1 86 ARG QD . . 4.060 3.595 2.349 4.153 0.093 5 0 "[ . 1 . 2]" 1
1350 1 86 ARG HA 1 86 ARG HG2 . . 4.050 2.894 2.277 4.138 0.088 14 0 "[ . 1 . 2]" 1
1351 1 86 ARG HA 1 86 ARG HG3 . . 4.040 3.129 2.315 4.129 0.089 3 0 "[ . 1 . 2]" 1
1352 1 87 ARG H 1 87 ARG HB2 . . 3.620 2.925 2.557 3.280 . 0 0 "[ . 1 . 2]" 1
1353 1 87 ARG H 1 87 ARG HB3 . . 3.330 2.887 2.386 3.384 0.054 1 0 "[ . 1 . 2]" 1
1354 1 87 ARG H 1 87 ARG QD . . 5.500 4.869 4.550 5.186 . 0 0 "[ . 1 . 2]" 1
1355 1 87 ARG H 1 87 ARG HG2 . . 4.990 4.651 4.383 4.803 . 0 0 "[ . 1 . 2]" 1
1356 1 87 ARG H 1 88 TRP H . . 3.100 2.126 1.749 2.454 . 0 0 "[ . 1 . 2]" 1
1357 1 87 ARG H 1 88 TRP HB2 . . 5.170 3.888 3.249 4.503 . 0 0 "[ . 1 . 2]" 1
1358 1 87 ARG H 1 88 TRP HD1 . . 5.500 3.140 2.155 4.034 . 0 0 "[ . 1 . 2]" 1
1359 1 87 ARG H 1 89 GLN HE21 . . 5.500 4.781 3.624 5.566 0.066 7 0 "[ . 1 . 2]" 1
1360 1 87 ARG HA 1 87 ARG HG3 . . 3.770 2.604 2.267 3.046 . 0 0 "[ . 1 . 2]" 1
1361 1 87 ARG HB2 1 88 TRP H . . 4.650 4.383 3.777 4.535 . 0 0 "[ . 1 . 2]" 1
1362 1 87 ARG HB2 1 88 TRP HD1 . . 4.420 3.928 3.645 4.471 0.051 7 0 "[ . 1 . 2]" 1
1363 1 87 ARG HB3 1 88 TRP H . . 4.100 3.763 2.988 4.094 . 0 0 "[ . 1 . 2]" 1
1364 1 87 ARG HB3 1 88 TRP HD1 . . 3.350 2.480 2.223 2.954 . 0 0 "[ . 1 . 2]" 1
1365 1 87 ARG HB3 1 88 TRP HE1 . . 4.700 3.334 2.871 3.838 . 0 0 "[ . 1 . 2]" 1
1366 1 87 ARG QD 1 88 TRP HE1 . . 4.550 3.540 2.484 4.237 . 0 0 "[ . 1 . 2]" 1
1367 1 87 ARG HG2 1 88 TRP H . . 5.020 4.864 4.432 5.059 0.039 16 0 "[ . 1 . 2]" 1
1368 1 87 ARG HG2 1 88 TRP HE1 . . 5.500 4.810 2.711 5.565 0.065 7 0 "[ . 1 . 2]" 1
1369 1 88 TRP H 1 88 TRP HB2 . . 3.670 2.700 2.331 2.880 . 0 0 "[ . 1 . 2]" 1
1370 1 88 TRP H 1 88 TRP HD1 . . 3.770 3.326 2.837 3.735 . 0 0 "[ . 1 . 2]" 1
1371 1 88 TRP H 1 89 GLN H . . 5.170 4.206 3.758 4.428 . 0 0 "[ . 1 . 2]" 1
1372 1 88 TRP H 1 89 GLN HA . . 5.500 4.759 4.317 5.133 . 0 0 "[ . 1 . 2]" 1
1373 1 88 TRP HA 1 88 TRP HE3 . . 3.870 3.507 3.085 3.932 0.062 19 0 "[ . 1 . 2]" 1
1374 1 88 TRP HA 1 89 GLN H . . 2.920 2.196 2.105 2.276 . 0 0 "[ . 1 . 2]" 1
1375 1 88 TRP HA 1 89 GLN QB . . 4.900 4.427 3.831 4.743 . 0 0 "[ . 1 . 2]" 1
1376 1 88 TRP HA 1 90 LEU QD . . 5.000 4.854 4.591 5.037 0.037 13 0 "[ . 1 . 2]" 1
1377 1 88 TRP HB2 1 88 TRP HD1 . . 3.420 2.710 2.540 2.833 . 0 0 "[ . 1 . 2]" 1
1378 1 88 TRP HB2 1 89 GLN H . . 4.510 4.223 3.942 4.548 0.038 4 0 "[ . 1 . 2]" 1
1379 1 88 TRP HB3 1 88 TRP HE3 . . 4.110 2.542 2.349 2.880 . 0 0 "[ . 1 . 2]" 1
1380 1 88 TRP HB3 1 89 GLN H . . 4.150 3.277 2.819 3.858 . 0 0 "[ . 1 . 2]" 1
1381 1 88 TRP HB3 1 90 LEU QD . . 3.610 3.435 3.126 3.669 0.059 4 0 "[ . 1 . 2]" 1
1382 1 88 TRP HE3 1 89 GLN H . . 4.820 4.208 3.533 4.674 . 0 0 "[ . 1 . 2]" 1
1383 1 88 TRP HE3 1 90 LEU QD . . 3.690 3.711 3.511 3.766 0.076 1 0 "[ . 1 . 2]" 1
1384 1 89 GLN H 1 89 GLN QB . . 3.480 2.664 2.319 2.897 . 0 0 "[ . 1 . 2]" 1
1385 1 89 GLN H 1 89 GLN HE21 . . 5.500 3.998 2.338 5.556 0.056 7 0 "[ . 1 . 2]" 1
1386 1 89 GLN H 1 89 GLN QG . . 5.090 3.774 2.955 4.374 . 0 0 "[ . 1 . 2]" 1
1387 1 89 GLN H 1 90 LEU H . . 4.550 4.262 3.951 4.459 . 0 0 "[ . 1 . 2]" 1
1388 1 89 GLN H 1 90 LEU QD . . 4.350 4.078 3.360 4.371 0.021 11 0 "[ . 1 . 2]" 1
1389 1 89 GLN HA 1 89 GLN HE21 . . 4.770 3.524 2.670 4.321 . 0 0 "[ . 1 . 2]" 1
1390 1 89 GLN HA 1 89 GLN HE22 . . 4.820 4.659 4.006 4.911 0.091 11 0 "[ . 1 . 2]" 1
1391 1 89 GLN HA 1 89 GLN QG . . 3.770 2.376 2.082 3.164 . 0 0 "[ . 1 . 2]" 1
1392 1 89 GLN HA 1 90 LEU H . . 2.990 2.192 2.037 2.379 . 0 0 "[ . 1 . 2]" 1
1393 1 89 GLN QB 1 90 LEU H . . 3.850 2.948 2.429 3.629 . 0 0 "[ . 1 . 2]" 1
1394 1 89 GLN QB 1 90 LEU HA . . 4.780 4.405 4.063 4.705 . 0 0 "[ . 1 . 2]" 1
1395 1 89 GLN QG 1 90 LEU H . . 4.950 3.853 2.871 4.430 . 0 0 "[ . 1 . 2]" 1
1396 1 90 LEU H 1 90 LEU HB2 . . 3.850 2.212 2.007 2.474 . 0 0 "[ . 1 . 2]" 1
1397 1 90 LEU H 1 90 LEU HB3 . . 3.610 3.317 3.227 3.444 . 0 0 "[ . 1 . 2]" 1
1398 1 90 LEU H 1 90 LEU QD . . 4.750 3.090 2.762 3.355 . 0 0 "[ . 1 . 2]" 1
1399 1 90 LEU H 1 91 SER H . . 5.500 4.438 3.984 4.748 . 0 0 "[ . 1 . 2]" 1
1400 1 90 LEU HA 1 90 LEU QD . . 3.150 2.078 1.925 2.431 . 0 0 "[ . 1 . 2]" 1
1401 1 90 LEU HA 1 90 LEU HG . . 4.100 3.185 2.301 3.659 . 0 0 "[ . 1 . 2]" 1
1402 1 90 LEU HA 1 91 SER H . . 2.900 2.330 2.114 2.475 . 0 0 "[ . 1 . 2]" 1
1403 1 90 LEU HA 1 91 SER HA . . 4.680 4.551 4.452 4.665 . 0 0 "[ . 1 . 2]" 1
1404 1 90 LEU HB2 1 91 SER H . . 4.600 3.958 3.545 4.654 0.054 6 0 "[ . 1 . 2]" 1
1405 1 90 LEU QD 1 91 SER H . . 5.340 2.720 1.810 3.883 . 0 0 "[ . 1 . 2]" 1
1406 1 90 LEU HG 1 91 SER H . . 4.070 3.829 2.664 4.174 0.104 18 0 "[ . 1 . 2]" 1
1407 1 91 SER H 1 91 SER QB . . 3.890 3.069 2.512 3.555 . 0 0 "[ . 1 . 2]" 1
1408 1 91 SER HA 1 92 VAL H . . 2.830 2.541 2.329 2.716 . 0 0 "[ . 1 . 2]" 1
1409 1 91 SER HA 1 92 VAL HB . . 4.380 4.186 3.892 4.438 0.058 19 0 "[ . 1 . 2]" 1
1410 1 91 SER QB 1 92 VAL H . . 3.150 2.438 2.030 3.216 0.066 16 0 "[ . 1 . 2]" 1
1411 1 91 SER QB 1 92 VAL HB . . 5.070 4.837 4.368 5.166 0.096 16 0 "[ . 1 . 2]" 1
1412 1 92 VAL H 1 92 VAL HB . . 3.020 2.900 2.452 3.112 0.092 14 0 "[ . 1 . 2]" 1
1413 1 92 VAL HA 1 92 VAL QG . . 3.240 2.203 2.038 2.324 . 0 0 "[ . 1 . 2]" 1
1414 1 92 VAL HA 1 93 ALA H . . 2.820 2.377 2.198 2.497 . 0 0 "[ . 1 . 2]" 1
1415 1 92 VAL HA 1 93 ALA MB . . 4.810 4.088 3.946 4.201 . 0 0 "[ . 1 . 2]" 1
1416 1 92 VAL HB 1 93 ALA H . . 4.050 4.052 3.889 4.130 0.080 7 0 "[ . 1 . 2]" 1
1417 1 92 VAL QG 1 93 ALA H . . 3.430 2.199 2.002 2.398 . 0 0 "[ . 1 . 2]" 1
1418 1 92 VAL QG 1 93 ALA HA . . 4.810 3.899 3.797 4.088 . 0 0 "[ . 1 . 2]" 1
1419 1 92 VAL QG 1 93 ALA MB . . 3.600 3.301 3.009 3.541 . 0 0 "[ . 1 . 2]" 1
1420 1 93 ALA H 1 93 ALA MB . . 3.040 2.246 2.178 2.334 . 0 0 "[ . 1 . 2]" 1
1421 1 93 ALA H 1 94 THR H . . 4.780 4.533 4.276 4.678 . 0 0 "[ . 1 . 2]" 1
1422 1 93 ALA HA 1 94 THR H . . 2.790 2.473 2.204 2.812 0.022 15 0 "[ . 1 . 2]" 1
1423 1 93 ALA MB 1 94 THR H . . 3.600 2.560 1.951 3.532 . 0 0 "[ . 1 . 2]" 1
1424 1 93 ALA MB 1 95 GLU H . . 4.600 3.090 2.361 4.195 . 0 0 "[ . 1 . 2]" 1
1425 1 94 THR H 1 94 THR HB . . 3.840 2.864 2.418 3.747 . 0 0 "[ . 1 . 2]" 1
1426 1 94 THR H 1 95 GLU H . . 3.300 2.264 1.642 2.856 . 0 0 "[ . 1 . 2]" 1
1427 1 94 THR HB 1 95 GLU H . . 3.560 2.973 2.204 3.628 0.068 12 0 "[ . 1 . 2]" 1
1428 1 94 THR MG 1 95 GLU H . . 4.210 3.917 3.280 4.314 0.104 20 0 "[ . 1 . 2]" 1
1429 1 95 GLU H 1 95 GLU HB2 . . 4.000 3.224 2.461 3.998 . 0 0 "[ . 1 . 2]" 1
1430 1 95 GLU H 1 95 GLU HB3 . . 3.640 3.354 2.565 4.048 0.408 19 0 "[ . 1 . 2]" 1
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