NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399446 |
1u3m   |
6269 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u3m
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 1712
_Distance_constraint_stats_list.Viol_count 3676
_Distance_constraint_stats_list.Viol_total 6738.967
_Distance_constraint_stats_list.Viol_max 1.279
_Distance_constraint_stats_list.Viol_rms 0.0453
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0917
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 2.192 0.473 12 0 "[ . 1 . 2]"
1 3 VAL 4.128 0.473 12 0 "[ . 1 . 2]"
1 4 VAL 5.043 0.573 1 1 "[+ . 1 . 2]"
1 5 GLY 4.956 0.573 1 1 "[+ . 1 . 2]"
1 6 GLY 2.310 0.112 4 0 "[ . 1 . 2]"
1 7 LEU 6.160 0.405 9 0 "[ . 1 . 2]"
1 8 GLY 6.299 0.346 10 0 "[ . 1 . 2]"
1 9 GLY 3.527 0.329 6 0 "[ . 1 . 2]"
1 10 TYR 7.180 0.492 20 0 "[ . 1 . 2]"
1 11 ALA 0.483 0.091 12 0 "[ . 1 . 2]"
1 12 MET 4.299 0.098 20 0 "[ . 1 . 2]"
1 13 GLY 1.996 0.094 11 0 "[ . 1 . 2]"
1 14 ARG 8.168 0.331 5 0 "[ . 1 . 2]"
1 15 VAL 5.826 0.969 14 1 "[ . 1 +. 2]"
1 16 MET 10.098 0.949 14 5 "[ . * 1 - +.* * 2]"
1 17 SER 4.394 0.112 8 0 "[ . 1 . 2]"
1 18 GLY 1.333 0.106 14 0 "[ . 1 . 2]"
1 19 MET 8.931 0.687 15 2 "[ . 1 + - 2]"
1 20 ASN 4.629 0.364 18 0 "[ . 1 . 2]"
1 21 TYR 5.285 0.143 14 0 "[ . 1 . 2]"
1 22 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 11.997 1.279 10 8 "[* . -* +* **. * 2]"
1 24 ASP 2.022 0.100 18 0 "[ . 1 . 2]"
1 25 ARG 17.669 1.279 10 8 "[* . -* +* **. * 2]"
1 26 PRO 10.531 0.919 8 2 "[ . + 1 -. 2]"
1 27 ASP 8.251 0.919 8 2 "[ . + 1 -. 2]"
1 28 GLU 2.354 0.488 18 0 "[ . 1 . 2]"
1 29 TYR 7.897 0.313 18 0 "[ . 1 . 2]"
1 30 ARG 10.709 0.566 1 1 "[+ . 1 . 2]"
1 31 TRP 4.905 0.947 9 2 "[ . +1 . -]"
1 32 TRP 6.005 0.115 7 0 "[ . 1 . 2]"
1 33 SER 1.973 0.112 13 0 "[ . 1 . 2]"
1 34 GLU 8.480 0.566 1 1 "[+ . 1 . 2]"
1 35 ASN 5.228 0.947 9 2 "[ . +1 . -]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.924 0.106 18 0 "[ . 1 . 2]"
1 38 ARG 2.579 0.115 11 0 "[ . 1 . 2]"
1 39 TYR 3.168 0.106 18 0 "[ . 1 . 2]"
1 40 PRO 3.636 0.369 6 0 "[ . 1 . 2]"
1 41 ASN 8.554 0.985 16 3 "[ . 1 *.+ * 2]"
1 42 ARG 11.231 0.985 16 2 "[ . 1 -.+ 2]"
1 43 VAL 0.442 0.091 9 0 "[ . 1 . 2]"
1 44 TYR 2.265 0.103 1 0 "[ . 1 . 2]"
1 45 TYR 7.720 0.117 16 0 "[ . 1 . 2]"
1 46 ARG 20.213 0.828 17 4 "[* - * 1 . + 2]"
1 47 ASP 2.700 0.749 17 2 "[ - 1 . + 2]"
1 48 TYR 4.794 0.426 18 0 "[ . 1 . 2]"
1 49 SER 3.238 0.562 9 1 "[ . +1 . 2]"
1 50 SER 6.829 0.859 4 4 "[ +- * 1 . *2]"
1 51 PRO 7.783 0.859 4 5 "[ +* * -1 . *2]"
1 52 VAL 5.570 0.138 13 0 "[ . 1 . 2]"
1 53 PRO 4.146 0.147 10 0 "[ . 1 . 2]"
1 54 GLN 3.290 0.099 15 0 "[ . 1 . 2]"
1 55 ASP 2.279 0.096 18 0 "[ . 1 . 2]"
1 56 VAL 1.789 0.147 10 0 "[ . 1 . 2]"
1 57 PHE 6.762 0.117 16 0 "[ . 1 . 2]"
1 58 VAL 2.169 0.126 18 0 "[ . 1 . 2]"
1 59 ALA 3.112 0.095 16 0 "[ . 1 . 2]"
1 60 ASP 4.716 0.661 1 2 "[+ . - 1 . 2]"
1 61 CYS 1.802 0.083 4 0 "[ . 1 . 2]"
1 62 PHE 6.641 0.107 6 0 "[ . 1 . 2]"
1 63 ASN 3.293 0.088 4 0 "[ . 1 . 2]"
1 64 ILE 6.005 0.506 5 1 "[ + 1 . 2]"
1 65 THR 4.928 0.133 10 0 "[ . 1 . 2]"
1 66 VAL 5.971 0.346 3 0 "[ . 1 . 2]"
1 67 THR 4.505 0.123 5 0 "[ . 1 . 2]"
1 68 GLU 2.878 0.259 11 0 "[ . 1 . 2]"
1 69 TYR 2.245 0.145 14 0 "[ . 1 . 2]"
1 70 SER 1.872 0.105 8 0 "[ . 1 . 2]"
1 71 ILE 3.592 0.346 3 0 "[ . 1 . 2]"
1 72 GLY 2.564 0.571 12 1 "[ . 1 + . 2]"
1 73 PRO 2.479 0.571 12 1 "[ . 1 + . 2]"
1 74 ALA 0.681 0.115 15 0 "[ . 1 . 2]"
1 75 ALA 4.738 0.121 20 0 "[ . 1 . 2]"
1 76 LYS 5.211 0.421 7 0 "[ . 1 . 2]"
1 77 LYS 8.109 0.690 6 4 "[ - .+ 1 * *]"
1 78 ASN 4.217 0.384 3 0 "[ . 1 . 2]"
1 79 THR 3.428 0.117 2 0 "[ . 1 . 2]"
1 80 SER 2.895 0.387 5 0 "[ . 1 . 2]"
1 81 GLU 4.096 0.451 4 0 "[ . 1 . 2]"
1 82 ALA 4.654 0.451 4 0 "[ . 1 . 2]"
1 83 VAL 5.426 0.425 20 0 "[ . 1 . 2]"
1 84 ALA 3.516 0.134 8 0 "[ . 1 . 2]"
1 85 ALA 1.024 0.117 7 0 "[ . 1 . 2]"
1 86 ALA 1.655 0.099 8 0 "[ . 1 . 2]"
1 87 ASN 9.369 0.957 5 3 "[ + - 1 . * 2]"
1 88 GLN 7.435 0.957 5 2 "[ + 1 . - 2]"
1 89 THR 6.567 0.724 8 1 "[ . + 1 . 2]"
1 90 GLU 3.180 0.101 14 0 "[ . 1 . 2]"
1 91 VAL 1.185 0.129 3 0 "[ . 1 . 2]"
1 92 GLU 10.250 0.868 2 7 "[ + .** 1 * .* *-]"
1 93 MET 18.577 0.868 2 7 "[ + .** 1 * .* *-]"
1 94 GLU 1.356 0.093 18 0 "[ . 1 . 2]"
1 95 ASN 7.188 0.130 4 0 "[ . 1 . 2]"
1 96 LYS 10.776 0.120 14 0 "[ . 1 . 2]"
1 97 VAL 1.538 0.101 20 0 "[ . 1 . 2]"
1 98 VAL 1.469 0.101 20 0 "[ . 1 . 2]"
1 99 THR 14.678 0.912 1 9 "[+ * .* ***- ** 2]"
1 100 LYS 11.351 0.912 1 9 "[+ * .* ***- ** 2]"
1 101 VAL 2.568 0.383 20 0 "[ . 1 . 2]"
1 102 ILE 10.126 0.369 6 0 "[ . 1 . 2]"
1 103 ARG 10.898 0.137 18 0 "[ . 1 . 2]"
1 104 GLU 2.536 0.128 8 0 "[ . 1 . 2]"
1 105 MET 8.228 0.297 12 0 "[ . 1 . 2]"
1 106 CYS 1.909 0.089 20 0 "[ . 1 . 2]"
1 107 VAL 8.018 0.137 18 0 "[ . 1 . 2]"
1 108 GLN 7.423 0.800 8 2 "[ . + 1 - . 2]"
1 109 GLN 6.259 0.112 7 0 "[ . 1 . 2]"
1 110 TYR 4.215 0.126 18 0 "[ . 1 . 2]"
1 111 ARG 5.554 0.107 3 0 "[ . 1 . 2]"
1 112 GLU 4.863 0.418 11 0 "[ . 1 . 2]"
1 113 TYR 8.920 0.418 11 0 "[ . 1 . 2]"
1 114 ARG 5.821 0.113 14 0 "[ . 1 . 2]"
1 115 LEU 7.773 0.661 20 5 "[ *.* -* . +]"
1 116 ALA 1.966 0.418 4 0 "[ . 1 . 2]"
1 117 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 SER HA . . 5.380 4.036 3.896 4.175 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER H 1 3 VAL MG1 . . 5.500 4.614 2.758 5.878 0.378 1 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 3 VAL H . . 3.410 2.833 2.241 3.495 0.085 4 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 3 VAL HA . . 5.500 4.557 4.210 5.142 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER HA 1 3 VAL MG1 . . 5.500 4.698 3.166 5.610 0.110 1 0 "[ . 1 . 2]" 1
6 1 2 SER QB 1 3 VAL H . . 4.450 2.915 1.841 3.984 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER QB 1 3 VAL MG1 . . 4.630 3.932 2.653 5.103 0.473 12 0 "[ . 1 . 2]" 1
8 1 2 SER QB 1 3 VAL MG2 . . 5.180 4.051 2.098 5.058 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL H 1 3 VAL MG2 . . 3.660 2.796 1.881 4.068 0.408 19 0 "[ . 1 . 2]" 1
10 1 3 VAL H 1 5 GLY H . . 4.970 4.910 4.404 5.057 0.087 15 0 "[ . 1 . 2]" 1
11 1 3 VAL HA 1 3 VAL MG1 . . 3.680 2.635 2.179 3.301 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL HA 1 4 VAL H . . 3.180 2.417 2.076 2.764 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL HA 1 4 VAL HA . . 4.890 4.429 4.257 4.603 . 0 0 "[ . 1 . 2]" 1
14 1 3 VAL HB 1 4 VAL H . . 4.740 3.785 2.100 4.628 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL H 1 4 VAL HB . . 3.830 3.295 2.345 3.852 0.022 19 0 "[ . 1 . 2]" 1
16 1 4 VAL H 1 4 VAL MG1 . . 3.990 2.675 1.977 4.044 0.054 1 0 "[ . 1 . 2]" 1
17 1 4 VAL H 1 4 VAL MG2 . . 4.410 3.853 2.203 4.132 . 0 0 "[ . 1 . 2]" 1
18 1 4 VAL H 1 6 GLY H . . 3.620 3.441 2.652 3.703 0.083 10 0 "[ . 1 . 2]" 1
19 1 4 VAL HA 1 4 VAL MG1 . . 3.630 3.223 2.333 3.297 . 0 0 "[ . 1 . 2]" 1
20 1 4 VAL HA 1 5 GLY HA2 . . 5.500 4.789 4.457 5.166 . 0 0 "[ . 1 . 2]" 1
21 1 4 VAL HA 1 5 GLY HA3 . . 5.140 5.017 4.264 5.398 0.258 11 0 "[ . 1 . 2]" 1
22 1 4 VAL HB 1 5 GLY H . . 5.330 4.201 3.505 4.656 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL MG1 1 6 GLY H . . 4.920 4.185 2.498 4.973 0.053 18 0 "[ . 1 . 2]" 1
24 1 4 VAL MG2 1 5 GLY H . . 5.060 3.836 2.759 4.406 . 0 0 "[ . 1 . 2]" 1
25 1 4 VAL MG2 1 5 GLY HA2 . . 5.500 4.509 3.281 5.627 0.127 14 0 "[ . 1 . 2]" 1
26 1 4 VAL MG2 1 5 GLY HA3 . . 5.010 4.645 3.902 5.583 0.573 1 1 "[+ . 1 . 2]" 1
27 1 5 GLY H 1 6 GLY H . . 3.930 3.048 2.311 3.772 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLY H 1 8 GLY H . . 5.500 4.842 3.022 5.577 0.077 4 0 "[ . 1 . 2]" 1
29 1 6 GLY QA 1 7 LEU HA . . 5.500 4.033 3.831 4.126 . 0 0 "[ . 1 . 2]" 1
30 1 6 GLY QA 1 7 LEU QB . . 5.500 4.064 3.581 4.623 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLY QA 1 7 LEU MD1 . . 5.500 4.852 3.598 5.416 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLY QA 1 7 LEU HG . . 5.500 4.962 3.865 5.612 0.112 4 0 "[ . 1 . 2]" 1
33 1 6 GLY QA 1 8 GLY H . . 5.280 3.522 2.980 5.009 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLY QA 1 9 GLY H . . 5.140 4.600 3.550 5.220 0.080 2 0 "[ . 1 . 2]" 1
35 1 7 LEU H 1 7 LEU QB . . 3.000 2.593 1.960 3.125 0.125 13 0 "[ . 1 . 2]" 1
36 1 7 LEU H 1 7 LEU MD1 . . 4.700 4.070 2.530 4.923 0.223 3 0 "[ . 1 . 2]" 1
37 1 7 LEU H 1 7 LEU MD2 . . 5.500 3.654 2.027 4.741 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU H 1 7 LEU HG . . 5.500 3.819 2.412 4.801 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU H 1 8 GLY H . . 3.250 2.396 1.698 3.255 0.005 5 0 "[ . 1 . 2]" 1
40 1 7 LEU H 1 9 GLY H . . 5.500 3.958 2.852 5.284 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU HA 1 7 LEU MD1 . . 4.050 3.153 2.162 3.948 . 0 0 "[ . 1 . 2]" 1
42 1 7 LEU HA 1 7 LEU MD2 . . 3.600 2.813 2.095 4.005 0.405 9 0 "[ . 1 . 2]" 1
43 1 7 LEU HA 1 8 GLY H . . 3.290 3.286 2.138 3.384 0.094 7 0 "[ . 1 . 2]" 1
44 1 7 LEU HA 1 9 GLY H . . 5.060 4.697 3.724 5.140 0.080 20 0 "[ . 1 . 2]" 1
45 1 7 LEU QB 1 8 GLY H . . 3.940 3.106 1.886 4.019 0.079 9 0 "[ . 1 . 2]" 1
46 1 7 LEU MD1 1 8 GLY H . . 4.750 4.675 3.818 5.096 0.346 10 0 "[ . 1 . 2]" 1
47 1 7 LEU MD2 1 8 GLY H . . 5.000 4.460 2.872 5.100 0.100 1 0 "[ . 1 . 2]" 1
48 1 7 LEU HG 1 8 GLY H . . 5.500 4.759 2.974 5.584 0.084 16 0 "[ . 1 . 2]" 1
49 1 8 GLY H 1 9 GLY H . . 3.890 2.658 1.908 3.690 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLY H 1 9 GLY HA3 . . 5.500 4.676 3.947 5.248 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLY H 1 10 TYR H . . 5.500 5.166 4.556 5.578 0.078 2 0 "[ . 1 . 2]" 1
52 1 8 GLY HA2 1 9 GLY H . . 3.290 3.191 2.251 3.619 0.329 6 0 "[ . 1 . 2]" 1
53 1 8 GLY HA2 1 9 GLY HA3 . . 5.500 4.842 4.507 5.229 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLY HA3 1 9 GLY HA3 . . 5.500 5.019 4.482 5.409 . 0 0 "[ . 1 . 2]" 1
55 1 9 GLY H 1 10 TYR H . . 3.890 3.219 2.256 3.930 0.040 3 0 "[ . 1 . 2]" 1
56 1 9 GLY H 1 10 TYR QD . . 5.040 4.524 3.410 5.134 0.094 6 0 "[ . 1 . 2]" 1
57 1 10 TYR H 1 10 TYR HB3 . . 3.580 3.691 3.510 4.072 0.492 20 0 "[ . 1 . 2]" 1
58 1 10 TYR H 1 10 TYR QD . . 4.300 2.785 2.105 3.611 . 0 0 "[ . 1 . 2]" 1
59 1 10 TYR H 1 10 TYR QE . . 4.860 4.664 3.934 4.935 0.075 7 0 "[ . 1 . 2]" 1
60 1 10 TYR H 1 11 ALA H . . 4.810 4.545 4.345 4.755 . 0 0 "[ . 1 . 2]" 1
61 1 10 TYR H 1 44 TYR QD . . 5.500 4.128 3.570 5.300 . 0 0 "[ . 1 . 2]" 1
62 1 10 TYR H 1 44 TYR QE . . 5.500 4.321 3.331 5.575 0.075 20 0 "[ . 1 . 2]" 1
63 1 10 TYR HA 1 10 TYR QD . . 4.460 2.899 2.578 3.254 . 0 0 "[ . 1 . 2]" 1
64 1 10 TYR HA 1 11 ALA H . . 3.440 2.506 2.334 3.145 . 0 0 "[ . 1 . 2]" 1
65 1 10 TYR HA 1 11 ALA MB . . 5.340 4.087 3.928 4.260 . 0 0 "[ . 1 . 2]" 1
66 1 10 TYR HA 1 44 TYR QD . . 5.370 4.462 4.142 5.010 . 0 0 "[ . 1 . 2]" 1
67 1 10 TYR HA 1 46 ARG HA . . 5.500 3.780 2.784 4.489 . 0 0 "[ . 1 . 2]" 1
68 1 10 TYR HB2 1 11 ALA H . . 4.520 3.640 2.710 3.898 . 0 0 "[ . 1 . 2]" 1
69 1 10 TYR HB2 1 44 TYR HB2 . . 5.500 4.328 3.918 4.871 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR HB2 1 44 TYR QD . . 5.500 2.491 2.137 2.840 . 0 0 "[ . 1 . 2]" 1
71 1 10 TYR HB2 1 45 TYR H . . 5.500 4.337 3.871 5.233 . 0 0 "[ . 1 . 2]" 1
72 1 10 TYR HB2 1 64 ILE MG . . 4.730 3.296 2.655 4.367 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR HB3 1 11 ALA H . . 3.870 2.503 2.032 2.858 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR HB3 1 44 TYR QD . . 5.500 3.063 2.477 3.820 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR HB3 1 46 ARG HA . . 5.500 3.680 2.469 4.566 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR HB3 1 64 ILE MG . . 4.630 3.165 2.675 3.676 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR QD 1 11 ALA H . . 4.480 3.859 3.221 4.261 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR QD 1 44 TYR HB3 . . 4.980 4.127 3.590 4.708 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR QD 1 44 TYR QD . . 5.500 4.320 3.627 4.752 . 0 0 "[ . 1 . 2]" 1
80 1 10 TYR QD 1 46 ARG HA . . 4.900 2.501 2.065 3.027 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR QD 1 46 ARG HB3 . . 5.500 3.327 2.112 4.751 . 0 0 "[ . 1 . 2]" 1
82 1 10 TYR QD 1 46 ARG HD3 . . 5.490 5.462 4.955 5.977 0.487 12 0 "[ . 1 . 2]" 1
83 1 10 TYR QD 1 46 ARG HG2 . . 5.500 3.555 2.284 5.003 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR QD 1 46 ARG HG3 . . 5.500 4.541 3.784 5.570 0.070 7 0 "[ . 1 . 2]" 1
85 1 10 TYR QD 1 64 ILE MD . . 4.570 2.882 2.204 4.076 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR QD 1 64 ILE MG . . 4.640 2.818 2.263 3.448 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR QE 1 46 ARG HB2 . . 5.420 4.446 2.917 5.860 0.440 10 0 "[ . 1 . 2]" 1
88 1 10 TYR QE 1 46 ARG HD2 . . 5.500 3.707 3.065 5.339 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR QE 1 46 ARG HG3 . . 5.500 4.665 3.467 5.686 0.186 14 0 "[ . 1 . 2]" 1
90 1 10 TYR QE 1 64 ILE MD . . 4.890 2.660 2.215 4.390 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR QE 1 64 ILE MG . . 5.110 3.313 2.673 3.817 . 0 0 "[ . 1 . 2]" 1
92 1 11 ALA H 1 11 ALA MB . . 3.130 2.248 2.179 2.449 . 0 0 "[ . 1 . 2]" 1
93 1 11 ALA H 1 12 MET H . . 5.260 4.563 4.341 4.661 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA H 1 44 TYR HA . . 5.500 4.819 4.370 5.136 . 0 0 "[ . 1 . 2]" 1
95 1 11 ALA H 1 44 TYR QD . . 4.560 3.730 3.172 4.180 . 0 0 "[ . 1 . 2]" 1
96 1 11 ALA H 1 45 TYR H . . 4.300 3.177 2.905 3.475 . 0 0 "[ . 1 . 2]" 1
97 1 11 ALA H 1 45 TYR HA . . 5.500 5.086 4.806 5.564 0.064 12 0 "[ . 1 . 2]" 1
98 1 11 ALA H 1 46 ARG HA . . 5.440 3.585 3.116 4.553 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA HA 1 12 MET H . . 2.830 2.235 2.090 2.350 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA HA 1 12 MET HA . . 4.430 4.435 4.356 4.490 0.060 11 0 "[ . 1 . 2]" 1
101 1 11 ALA HA 1 12 MET HB3 . . 5.500 4.644 4.401 4.833 . 0 0 "[ . 1 . 2]" 1
102 1 11 ALA MB 1 12 MET H . . 3.350 3.002 2.686 3.210 . 0 0 "[ . 1 . 2]" 1
103 1 11 ALA MB 1 12 MET HA . . 4.830 4.381 4.163 4.565 . 0 0 "[ . 1 . 2]" 1
104 1 11 ALA MB 1 44 TYR HA . . 5.500 4.487 4.240 4.722 . 0 0 "[ . 1 . 2]" 1
105 1 11 ALA MB 1 45 TYR H . . 4.380 3.135 2.815 3.512 . 0 0 "[ . 1 . 2]" 1
106 1 11 ALA MB 1 45 TYR HB3 . . 5.500 4.817 4.441 5.310 . 0 0 "[ . 1 . 2]" 1
107 1 11 ALA MB 1 45 TYR QD . . 5.400 2.842 2.273 3.289 . 0 0 "[ . 1 . 2]" 1
108 1 11 ALA MB 1 45 TYR QE . . 4.520 2.750 2.184 3.840 . 0 0 "[ . 1 . 2]" 1
109 1 11 ALA MB 1 46 ARG HA . . 5.500 4.253 3.794 5.031 . 0 0 "[ . 1 . 2]" 1
110 1 11 ALA MB 1 47 ASP H . . 5.500 4.784 3.852 5.591 0.091 12 0 "[ . 1 . 2]" 1
111 1 11 ALA MB 1 47 ASP HA . . 5.500 4.592 3.888 5.156 . 0 0 "[ . 1 . 2]" 1
112 1 12 MET H 1 12 MET HB2 . . 3.050 2.696 2.354 3.005 . 0 0 "[ . 1 . 2]" 1
113 1 12 MET H 1 12 MET HB3 . . 3.270 2.547 2.369 2.689 . 0 0 "[ . 1 . 2]" 1
114 1 12 MET H 1 12 MET QG . . 3.910 3.978 3.907 4.008 0.098 11 0 "[ . 1 . 2]" 1
115 1 12 MET H 1 13 GLY H . . 4.940 4.506 4.342 4.631 . 0 0 "[ . 1 . 2]" 1
116 1 12 MET H 1 13 GLY HA2 . . 5.500 5.218 4.887 5.546 0.046 1 0 "[ . 1 . 2]" 1
117 1 12 MET H 1 44 TYR HA . . 5.500 4.956 4.599 5.246 . 0 0 "[ . 1 . 2]" 1
118 1 12 MET H 1 44 TYR QD . . 5.500 4.257 3.923 4.982 . 0 0 "[ . 1 . 2]" 1
119 1 12 MET H 1 44 TYR QE . . 5.500 4.166 3.438 4.703 . 0 0 "[ . 1 . 2]" 1
120 1 12 MET H 1 45 TYR QE . . 4.540 4.608 4.442 4.630 0.090 7 0 "[ . 1 . 2]" 1
121 1 12 MET HA 1 12 MET QG . . 3.980 2.351 2.202 2.466 . 0 0 "[ . 1 . 2]" 1
122 1 12 MET HA 1 13 GLY H . . 3.600 2.225 2.125 2.272 . 0 0 "[ . 1 . 2]" 1
123 1 12 MET HA 1 44 TYR HA . . 3.530 2.743 2.126 3.251 . 0 0 "[ . 1 . 2]" 1
124 1 12 MET HA 1 44 TYR QD . . 5.500 3.091 2.743 3.415 . 0 0 "[ . 1 . 2]" 1
125 1 12 MET HB2 1 12 MET QG . . 2.700 2.342 2.267 2.423 . 0 0 "[ . 1 . 2]" 1
126 1 12 MET HB2 1 13 GLY H . . 5.500 4.262 4.176 4.406 . 0 0 "[ . 1 . 2]" 1
127 1 12 MET HB2 1 44 TYR HA . . 5.500 4.990 4.149 5.568 0.068 1 0 "[ . 1 . 2]" 1
128 1 12 MET HB2 1 44 TYR QE . . 5.500 2.593 2.203 3.376 . 0 0 "[ . 1 . 2]" 1
129 1 12 MET HB3 1 13 GLY H . . 5.500 4.033 3.834 4.264 . 0 0 "[ . 1 . 2]" 1
130 1 12 MET HB3 1 44 TYR QE . . 5.350 4.211 3.895 4.621 . 0 0 "[ . 1 . 2]" 1
131 1 12 MET QG 1 13 GLY H . . 4.730 2.510 2.249 2.804 . 0 0 "[ . 1 . 2]" 1
132 1 12 MET QG 1 42 ARG HB3 . . 4.380 3.848 3.164 4.402 0.022 12 0 "[ . 1 . 2]" 1
133 1 12 MET QG 1 42 ARG HE . . 4.810 4.755 4.133 4.908 0.098 20 0 "[ . 1 . 2]" 1
134 1 13 GLY H 1 14 ARG H . . 5.060 4.343 3.863 4.521 . 0 0 "[ . 1 . 2]" 1
135 1 13 GLY H 1 14 ARG HA . . 5.290 5.364 5.343 5.382 0.092 13 0 "[ . 1 . 2]" 1
136 1 13 GLY H 1 43 VAL H . . 5.280 3.161 2.700 3.659 . 0 0 "[ . 1 . 2]" 1
137 1 13 GLY H 1 43 VAL QG . . 5.500 3.936 3.489 4.601 . 0 0 "[ . 1 . 2]" 1
138 1 13 GLY H 1 44 TYR HA . . 5.080 3.366 2.803 3.775 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLY H 1 45 TYR H . . 5.500 5.066 4.700 5.424 . 0 0 "[ . 1 . 2]" 1
140 1 13 GLY H 1 45 TYR QD . . 4.470 4.285 3.751 4.564 0.094 11 0 "[ . 1 . 2]" 1
141 1 13 GLY H 1 45 TYR QE . . 5.020 3.272 2.606 3.900 . 0 0 "[ . 1 . 2]" 1
142 1 13 GLY HA2 1 14 ARG HA . . 5.010 4.319 4.124 4.544 . 0 0 "[ . 1 . 2]" 1
143 1 13 GLY HA2 1 14 ARG QB . . 5.500 4.279 3.844 4.460 . 0 0 "[ . 1 . 2]" 1
144 1 13 GLY HA2 1 45 TYR QE . . 4.290 2.545 2.123 3.408 . 0 0 "[ . 1 . 2]" 1
145 1 13 GLY HA3 1 43 VAL H . . 5.500 2.877 2.355 3.691 . 0 0 "[ . 1 . 2]" 1
146 1 13 GLY HA3 1 45 TYR QE . . 4.600 2.914 2.402 3.461 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG H 1 14 ARG QB . . 3.430 2.770 2.021 3.017 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG H 1 14 ARG QD . . 4.750 4.144 3.829 4.418 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG H 1 14 ARG HG2 . . 3.990 2.591 2.049 4.321 0.331 5 0 "[ . 1 . 2]" 1
150 1 14 ARG H 1 16 MET HB3 . . 5.500 5.296 4.143 5.577 0.077 12 0 "[ . 1 . 2]" 1
151 1 14 ARG H 1 42 ARG HB2 . . 5.500 5.514 4.544 5.587 0.087 19 0 "[ . 1 . 2]" 1
152 1 14 ARG H 1 42 ARG QG . . 5.500 4.663 3.854 5.321 . 0 0 "[ . 1 . 2]" 1
153 1 14 ARG H 1 45 TYR QE . . 4.610 4.659 4.391 4.715 0.105 12 0 "[ . 1 . 2]" 1
154 1 14 ARG HA 1 14 ARG QD . . 4.370 4.238 2.569 4.457 0.087 1 0 "[ . 1 . 2]" 1
155 1 14 ARG HA 1 14 ARG HG2 . . 4.060 3.945 3.804 4.143 0.083 18 0 "[ . 1 . 2]" 1
156 1 14 ARG HA 1 15 VAL H . . 2.940 2.460 2.263 2.591 . 0 0 "[ . 1 . 2]" 1
157 1 14 ARG HA 1 15 VAL HA . . 5.500 4.454 4.331 4.591 . 0 0 "[ . 1 . 2]" 1
158 1 14 ARG HA 1 42 ARG HB3 . . 5.500 4.206 3.660 4.666 . 0 0 "[ . 1 . 2]" 1
159 1 14 ARG QB 1 14 ARG HE . . 4.650 3.034 2.290 3.928 . 0 0 "[ . 1 . 2]" 1
160 1 14 ARG QB 1 15 VAL H . . 3.620 2.403 2.177 3.631 0.011 5 0 "[ . 1 . 2]" 1
161 1 14 ARG QB 1 16 MET ME . . 5.500 5.026 3.047 5.593 0.093 20 0 "[ . 1 . 2]" 1
162 1 14 ARG QB 1 42 ARG HB3 . . 5.500 5.283 4.762 5.592 0.092 18 0 "[ . 1 . 2]" 1
163 1 14 ARG QD 1 15 VAL MG1 . . 5.500 5.436 4.839 5.637 0.137 1 0 "[ . 1 . 2]" 1
164 1 14 ARG QD 1 16 MET ME . . 5.250 3.992 2.479 5.246 . 0 0 "[ . 1 . 2]" 1
165 1 14 ARG HE 1 15 VAL H . . 4.310 4.065 3.331 4.393 0.083 13 0 "[ . 1 . 2]" 1
166 1 14 ARG HE 1 16 MET HB3 . . 4.940 3.115 2.270 5.007 0.067 5 0 "[ . 1 . 2]" 1
167 1 14 ARG HG2 1 15 VAL H . . 5.040 4.711 4.156 5.052 0.012 2 0 "[ . 1 . 2]" 1
168 1 14 ARG HG2 1 16 MET HB3 . . 5.500 4.187 3.491 4.949 . 0 0 "[ . 1 . 2]" 1
169 1 14 ARG HG2 1 16 MET ME . . 5.270 3.936 2.756 4.780 . 0 0 "[ . 1 . 2]" 1
170 1 14 ARG HG3 1 16 MET HA . . 5.500 4.578 3.987 5.561 0.061 2 0 "[ . 1 . 2]" 1
171 1 14 ARG HG3 1 16 MET ME . . 5.500 3.629 2.475 4.244 . 0 0 "[ . 1 . 2]" 1
172 1 15 VAL H 1 15 VAL HB . . 2.970 2.273 2.015 2.601 . 0 0 "[ . 1 . 2]" 1
173 1 15 VAL H 1 15 VAL MG1 . . 3.850 3.634 2.665 3.769 . 0 0 "[ . 1 . 2]" 1
174 1 15 VAL H 1 16 MET H . . 5.090 4.399 4.268 4.546 . 0 0 "[ . 1 . 2]" 1
175 1 15 VAL H 1 42 ARG HD3 . . 5.500 4.956 4.246 6.469 0.969 14 1 "[ . 1 +. 2]" 1
176 1 15 VAL H 1 42 ARG QG . . 4.640 3.515 2.850 3.879 . 0 0 "[ . 1 . 2]" 1
177 1 15 VAL HA 1 15 VAL MG1 . . 3.330 2.620 2.302 3.203 . 0 0 "[ . 1 . 2]" 1
178 1 15 VAL HA 1 15 VAL MG2 . . 3.630 2.278 2.169 2.518 . 0 0 "[ . 1 . 2]" 1
179 1 15 VAL HA 1 16 MET H . . 3.640 2.081 1.993 2.192 . 0 0 "[ . 1 . 2]" 1
180 1 15 VAL HA 1 16 MET HA . . 5.070 4.372 4.277 4.453 . 0 0 "[ . 1 . 2]" 1
181 1 15 VAL HA 1 17 SER H . . 5.500 4.818 3.696 5.267 . 0 0 "[ . 1 . 2]" 1
182 1 15 VAL HA 1 42 ARG HA . . 4.410 4.129 3.660 4.502 0.092 9 0 "[ . 1 . 2]" 1
183 1 15 VAL HA 1 42 ARG HB2 . . 4.990 4.775 4.349 4.978 . 0 0 "[ . 1 . 2]" 1
184 1 15 VAL HA 1 42 ARG HB3 . . 4.310 3.979 3.019 4.369 0.059 18 0 "[ . 1 . 2]" 1
185 1 15 VAL HA 1 42 ARG HD2 . . 5.260 4.088 2.696 4.803 . 0 0 "[ . 1 . 2]" 1
186 1 15 VAL HA 1 42 ARG HE . . 5.500 5.288 4.920 5.568 0.068 4 0 "[ . 1 . 2]" 1
187 1 15 VAL HA 1 42 ARG QG . . 3.920 1.987 1.908 2.083 . 0 0 "[ . 1 . 2]" 1
188 1 15 VAL HB 1 16 MET H . . 5.500 4.453 4.304 4.594 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL MG1 1 16 MET H . . 5.100 3.111 2.866 3.705 . 0 0 "[ . 1 . 2]" 1
190 1 15 VAL MG1 1 16 MET HA . . 5.380 3.455 3.167 3.846 . 0 0 "[ . 1 . 2]" 1
191 1 15 VAL MG1 1 17 SER H . . 3.700 3.091 2.173 3.425 . 0 0 "[ . 1 . 2]" 1
192 1 15 VAL MG1 1 17 SER QB . . 4.510 3.599 2.526 4.592 0.082 12 0 "[ . 1 . 2]" 1
193 1 15 VAL MG1 1 41 ASN HB2 . . 4.290 3.333 2.609 4.374 0.084 12 0 "[ . 1 . 2]" 1
194 1 15 VAL MG1 1 41 ASN HB3 . . 4.420 3.243 2.399 4.398 . 0 0 "[ . 1 . 2]" 1
195 1 15 VAL MG1 1 41 ASN HD21 . . 4.190 3.385 2.392 4.260 0.070 11 0 "[ . 1 . 2]" 1
196 1 15 VAL MG1 1 42 ARG HD3 . . 5.500 4.420 3.218 4.679 . 0 0 "[ . 1 . 2]" 1
197 1 15 VAL MG2 1 16 MET H . . 5.500 3.836 3.106 4.313 . 0 0 "[ . 1 . 2]" 1
198 1 15 VAL MG2 1 17 SER H . . 5.500 5.268 3.336 5.612 0.112 8 0 "[ . 1 . 2]" 1
199 1 15 VAL MG2 1 17 SER QB . . 5.470 5.139 3.667 5.549 0.079 13 0 "[ . 1 . 2]" 1
200 1 15 VAL MG2 1 41 ASN HD22 . . 5.000 4.538 3.195 5.100 0.100 13 0 "[ . 1 . 2]" 1
201 1 15 VAL MG2 1 42 ARG HB2 . . 5.460 4.780 4.395 5.176 . 0 0 "[ . 1 . 2]" 1
202 1 15 VAL MG2 1 42 ARG HD2 . . 3.930 3.110 2.007 4.022 0.092 12 0 "[ . 1 . 2]" 1
203 1 15 VAL MG2 1 42 ARG HD3 . . 4.270 2.488 2.065 3.827 . 0 0 "[ . 1 . 2]" 1
204 1 15 VAL MG2 1 42 ARG HE . . 5.500 4.462 3.890 4.878 . 0 0 "[ . 1 . 2]" 1
205 1 15 VAL MG2 1 42 ARG QG . . 4.540 2.489 2.116 3.008 . 0 0 "[ . 1 . 2]" 1
206 1 16 MET H 1 16 MET HB3 . . 3.820 3.340 3.073 3.429 . 0 0 "[ . 1 . 2]" 1
207 1 16 MET H 1 16 MET ME . . 5.140 4.684 4.024 5.001 . 0 0 "[ . 1 . 2]" 1
208 1 16 MET H 1 16 MET QG . . 5.040 2.197 1.904 2.549 . 0 0 "[ . 1 . 2]" 1
209 1 16 MET H 1 17 SER H . . 4.420 3.512 2.469 3.985 . 0 0 "[ . 1 . 2]" 1
210 1 16 MET H 1 41 ASN HB2 . . 5.500 3.272 2.689 4.494 . 0 0 "[ . 1 . 2]" 1
211 1 16 MET H 1 42 ARG HB2 . . 5.500 5.600 5.526 5.894 0.394 12 0 "[ . 1 . 2]" 1
212 1 16 MET H 1 42 ARG QG . . 5.500 3.099 2.606 3.658 . 0 0 "[ . 1 . 2]" 1
213 1 16 MET HA 1 16 MET ME . . 5.500 4.403 4.093 5.397 . 0 0 "[ . 1 . 2]" 1
214 1 16 MET HA 1 16 MET QG . . 3.940 3.352 3.307 3.409 . 0 0 "[ . 1 . 2]" 1
215 1 16 MET HA 1 17 SER H . . 3.240 2.343 2.123 2.940 . 0 0 "[ . 1 . 2]" 1
216 1 16 MET HB2 1 105 MET ME . . 5.500 5.423 4.972 5.604 0.104 14 0 "[ . 1 . 2]" 1
217 1 16 MET HB2 1 105 MET HG2 . . 5.500 4.317 3.638 5.797 0.297 12 0 "[ . 1 . 2]" 1
218 1 16 MET HB2 1 108 GLN QB . . 5.500 4.481 3.794 4.930 . 0 0 "[ . 1 . 2]" 1
219 1 16 MET HB3 1 17 SER H . . 4.580 4.505 4.332 4.650 0.070 16 0 "[ . 1 . 2]" 1
220 1 16 MET HB3 1 105 MET HG2 . . 5.500 4.864 4.466 5.412 . 0 0 "[ . 1 . 2]" 1
221 1 16 MET ME 1 16 MET QG . . 3.390 2.557 2.186 2.814 . 0 0 "[ . 1 . 2]" 1
222 1 16 MET ME 1 19 MET ME . . 5.500 3.294 2.171 4.840 . 0 0 "[ . 1 . 2]" 1
223 1 16 MET ME 1 43 VAL QG . . 5.090 3.781 2.131 4.572 . 0 0 "[ . 1 . 2]" 1
224 1 16 MET ME 1 104 GLU QG . . 5.500 5.445 4.876 5.628 0.128 8 0 "[ . 1 . 2]" 1
225 1 16 MET ME 1 105 MET HA . . 4.280 2.769 2.229 3.635 . 0 0 "[ . 1 . 2]" 1
226 1 16 MET ME 1 105 MET ME . . 5.500 4.479 3.484 5.023 . 0 0 "[ . 1 . 2]" 1
227 1 16 MET ME 1 105 MET HG2 . . 5.150 3.186 2.332 4.181 . 0 0 "[ . 1 . 2]" 1
228 1 16 MET ME 1 105 MET HG3 . . 4.720 2.791 1.988 4.664 . 0 0 "[ . 1 . 2]" 1
229 1 16 MET ME 1 106 CYS HA . . 5.500 4.778 3.805 5.560 0.060 4 0 "[ . 1 . 2]" 1
230 1 16 MET ME 1 108 GLN QB . . 3.100 2.168 1.890 3.183 0.083 8 0 "[ . 1 . 2]" 1
231 1 16 MET ME 1 108 GLN HG2 . . 4.680 3.946 2.205 5.480 0.800 8 2 "[ . + 1 - . 2]" 1
232 1 16 MET ME 1 109 GLN H . . 5.130 3.098 2.410 3.661 . 0 0 "[ . 1 . 2]" 1
233 1 16 MET ME 1 109 GLN HA . . 4.210 3.401 2.643 4.290 0.080 8 0 "[ . 1 . 2]" 1
234 1 16 MET ME 1 109 GLN QB . . 4.590 3.155 2.110 4.279 . 0 0 "[ . 1 . 2]" 1
235 1 16 MET QG 1 17 SER H . . 5.500 4.380 3.689 4.569 . 0 0 "[ . 1 . 2]" 1
236 1 16 MET QG 1 19 MET ME . . 4.640 2.887 2.217 3.680 . 0 0 "[ . 1 . 2]" 1
237 1 16 MET QG 1 41 ASN HB2 . . 5.500 4.556 3.618 5.021 . 0 0 "[ . 1 . 2]" 1
238 1 16 MET QG 1 41 ASN HB3 . . 4.120 4.032 3.773 5.069 0.949 14 3 "[ . 1 +.- * 2]" 1
239 1 16 MET QG 1 43 VAL QG . . 4.660 3.869 2.879 4.156 . 0 0 "[ . 1 . 2]" 1
240 1 16 MET QG 1 105 MET ME . . 5.340 3.258 2.901 3.737 . 0 0 "[ . 1 . 2]" 1
241 1 16 MET QG 1 105 MET HG2 . . 2.980 2.151 1.887 2.912 . 0 0 "[ . 1 . 2]" 1
242 1 16 MET QG 1 108 GLN QB . . 5.500 4.476 4.036 5.116 . 0 0 "[ . 1 . 2]" 1
243 1 17 SER H 1 17 SER QB . . 3.390 2.745 2.050 3.229 . 0 0 "[ . 1 . 2]" 1
244 1 17 SER H 1 18 GLY H . . 4.540 4.233 1.929 4.600 0.060 9 0 "[ . 1 . 2]" 1
245 1 17 SER H 1 19 MET H . . 5.500 5.427 4.711 5.600 0.100 16 0 "[ . 1 . 2]" 1
246 1 17 SER H 1 41 ASN HA . . 5.180 5.137 4.758 5.267 0.087 9 0 "[ . 1 . 2]" 1
247 1 17 SER H 1 41 ASN HB2 . . 5.500 4.979 2.788 5.579 0.079 7 0 "[ . 1 . 2]" 1
248 1 17 SER HA 1 18 GLY H . . 3.140 2.454 2.200 3.214 0.074 4 0 "[ . 1 . 2]" 1
249 1 17 SER HA 1 19 MET H . . 5.050 4.116 3.389 5.069 0.019 6 0 "[ . 1 . 2]" 1
250 1 17 SER HA 1 41 ASN HB2 . . 5.500 5.020 2.519 5.580 0.080 3 0 "[ . 1 . 2]" 1
251 1 17 SER QB 1 18 GLY H . . 3.660 2.946 2.279 3.694 0.034 1 0 "[ . 1 . 2]" 1
252 1 17 SER QB 1 18 GLY QA . . 4.210 3.749 3.109 4.185 . 0 0 "[ . 1 . 2]" 1
253 1 17 SER QB 1 19 MET H . . 5.500 5.074 4.627 5.591 0.091 5 0 "[ . 1 . 2]" 1
254 1 17 SER QB 1 41 ASN HD21 . . 5.220 3.893 2.817 5.009 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLY H 1 19 MET H . . 3.960 2.963 1.794 4.035 0.075 6 0 "[ . 1 . 2]" 1
256 1 18 GLY H 1 21 TYR QE . . 5.500 4.737 2.463 5.606 0.106 14 0 "[ . 1 . 2]" 1
257 1 18 GLY QA 1 19 MET H . . 3.510 2.602 2.185 2.956 . 0 0 "[ . 1 . 2]" 1
258 1 18 GLY QA 1 19 MET HA . . 5.500 4.159 4.058 4.271 . 0 0 "[ . 1 . 2]" 1
259 1 19 MET H 1 19 MET HB2 . . 3.930 2.780 2.057 3.631 . 0 0 "[ . 1 . 2]" 1
260 1 19 MET H 1 19 MET HG2 . . 4.020 3.522 2.083 4.106 0.086 4 0 "[ . 1 . 2]" 1
261 1 19 MET H 1 19 MET HG3 . . 3.580 3.028 2.005 4.093 0.513 18 1 "[ . 1 . + 2]" 1
262 1 19 MET H 1 20 ASN H . . 4.260 4.110 2.833 4.353 0.093 15 0 "[ . 1 . 2]" 1
263 1 19 MET H 1 20 ASN HA . . 5.500 5.461 5.063 5.597 0.097 8 0 "[ . 1 . 2]" 1
264 1 19 MET H 1 21 TYR QE . . 5.500 4.009 2.258 5.581 0.081 18 0 "[ . 1 . 2]" 1
265 1 19 MET HA 1 19 MET ME . . 4.120 4.154 3.875 4.236 0.116 4 0 "[ . 1 . 2]" 1
266 1 19 MET HA 1 20 ASN H . . 2.990 2.492 2.042 3.091 0.101 19 0 "[ . 1 . 2]" 1
267 1 19 MET HA 1 20 ASN HA . . 4.440 4.315 4.139 4.535 0.095 11 0 "[ . 1 . 2]" 1
268 1 19 MET HB2 1 19 MET ME . . 3.310 2.591 2.079 3.997 0.687 15 2 "[ . 1 + - 2]" 1
269 1 19 MET HB2 1 20 ASN H . . 5.500 3.546 1.926 4.582 . 0 0 "[ . 1 . 2]" 1
270 1 19 MET HB3 1 19 MET ME . . 4.390 3.104 2.116 3.625 . 0 0 "[ . 1 . 2]" 1
271 1 19 MET HB3 1 20 ASN H . . 5.140 2.802 1.773 4.571 . 0 0 "[ . 1 . 2]" 1
272 1 19 MET ME 1 19 MET HG2 . . 3.680 3.053 2.048 3.429 . 0 0 "[ . 1 . 2]" 1
273 1 19 MET ME 1 19 MET HG3 . . 3.540 2.533 2.105 3.446 . 0 0 "[ . 1 . 2]" 1
274 1 19 MET ME 1 21 TYR QE . . 4.970 3.157 2.118 5.016 0.046 15 0 "[ . 1 . 2]" 1
275 1 19 MET ME 1 101 VAL QG . . 5.500 3.482 2.206 4.284 . 0 0 "[ . 1 . 2]" 1
276 1 19 MET ME 1 105 MET HA . . 4.600 3.313 2.252 4.300 . 0 0 "[ . 1 . 2]" 1
277 1 19 MET ME 1 105 MET ME . . 4.750 3.696 3.259 4.522 . 0 0 "[ . 1 . 2]" 1
278 1 19 MET ME 1 105 MET HG2 . . 5.460 3.281 2.015 4.542 . 0 0 "[ . 1 . 2]" 1
279 1 19 MET ME 1 108 GLN QB . . 5.250 3.568 2.168 4.429 . 0 0 "[ . 1 . 2]" 1
280 1 19 MET ME 1 108 GLN QE . . 5.500 4.147 2.730 5.004 . 0 0 "[ . 1 . 2]" 1
281 1 19 MET ME 1 108 GLN HG2 . . 5.360 3.680 2.190 5.230 . 0 0 "[ . 1 . 2]" 1
282 1 19 MET ME 1 108 GLN HG3 . . 5.140 3.660 2.211 5.238 0.098 3 0 "[ . 1 . 2]" 1
283 1 19 MET HG3 1 20 ASN H . . 5.360 4.550 3.729 5.724 0.364 18 0 "[ . 1 . 2]" 1
284 1 19 MET HG3 1 21 TYR QE . . 5.400 4.465 2.994 5.472 0.072 1 0 "[ . 1 . 2]" 1
285 1 20 ASN H 1 20 ASN HB2 . . 3.650 2.694 2.082 3.632 . 0 0 "[ . 1 . 2]" 1
286 1 20 ASN H 1 20 ASN HB3 . . 3.570 2.953 2.407 3.709 0.139 19 0 "[ . 1 . 2]" 1
287 1 20 ASN H 1 20 ASN HD21 . . 5.500 4.533 2.224 5.459 . 0 0 "[ . 1 . 2]" 1
288 1 20 ASN H 1 21 TYR H . . 4.510 3.806 2.607 4.553 0.043 4 0 "[ . 1 . 2]" 1
289 1 20 ASN HA 1 21 TYR H . . 3.520 2.613 2.039 3.576 0.056 15 0 "[ . 1 . 2]" 1
290 1 20 ASN HA 1 21 TYR QD . . 4.740 4.755 4.397 4.833 0.093 8 0 "[ . 1 . 2]" 1
291 1 20 ASN HD21 1 21 TYR H . . 4.920 4.215 3.043 4.993 0.073 17 0 "[ . 1 . 2]" 1
292 1 20 ASN HD22 1 21 TYR H . . 5.500 4.911 3.608 5.577 0.077 2 0 "[ . 1 . 2]" 1
293 1 21 TYR HA 1 23 PHE H . . 5.500 5.062 3.761 5.545 0.045 20 0 "[ . 1 . 2]" 1
294 1 21 TYR QE 1 23 PHE QE . . 3.710 3.603 3.048 3.823 0.113 14 0 "[ . 1 . 2]" 1
295 1 21 TYR QE 1 101 VAL HA . . 4.750 4.146 3.158 4.567 . 0 0 "[ . 1 . 2]" 1
296 1 21 TYR QE 1 101 VAL QG . . 5.460 3.191 2.325 4.386 . 0 0 "[ . 1 . 2]" 1
297 1 21 TYR QE 1 105 MET ME . . 5.500 5.512 5.140 5.643 0.143 14 0 "[ . 1 . 2]" 1
298 1 22 HIS H 1 23 PHE H . . 4.930 3.010 2.574 4.082 . 0 0 "[ . 1 . 2]" 1
299 1 23 PHE H 1 25 ARG QH1 . . 5.390 5.708 4.308 6.669 1.279 10 8 "[* . -* +* **. * 2]" 1
300 1 23 PHE H 1 28 GLU QB . . 4.030 3.649 2.378 3.975 . 0 0 "[ . 1 . 2]" 1
301 1 23 PHE H 1 28 GLU QG . . 4.830 3.755 2.120 4.924 0.094 2 0 "[ . 1 . 2]" 1
302 1 23 PHE HA 1 23 PHE QE . . 4.640 4.516 4.363 4.721 0.081 18 0 "[ . 1 . 2]" 1
303 1 23 PHE HA 1 25 ARG H . . 5.500 3.852 3.306 4.365 . 0 0 "[ . 1 . 2]" 1
304 1 23 PHE QD 1 25 ARG H . . 5.500 5.503 4.957 5.605 0.105 17 0 "[ . 1 . 2]" 1
305 1 23 PHE QE 1 31 TRP HE1 . . 4.340 4.095 3.210 4.420 0.080 2 0 "[ . 1 . 2]" 1
306 1 23 PHE QE 1 32 TRP QB . . 5.500 5.035 3.326 5.615 0.115 7 0 "[ . 1 . 2]" 1
307 1 23 PHE QE 1 97 VAL QG . . 5.500 4.547 4.398 4.876 . 0 0 "[ . 1 . 2]" 1
308 1 23 PHE QE 1 100 LYS QE . . 5.500 5.073 4.291 5.606 0.106 3 0 "[ . 1 . 2]" 1
309 1 23 PHE HZ 1 31 TRP HH2 . . 5.500 4.633 3.994 5.572 0.072 18 0 "[ . 1 . 2]" 1
310 1 24 ASP H 1 25 ARG H . . 3.420 2.171 1.861 2.914 . 0 0 "[ . 1 . 2]" 1
311 1 24 ASP H 1 25 ARG HB2 . . 5.500 3.799 3.449 4.226 . 0 0 "[ . 1 . 2]" 1
312 1 24 ASP H 1 25 ARG HB3 . . 5.500 5.292 4.636 5.586 0.086 18 0 "[ . 1 . 2]" 1
313 1 24 ASP QB 1 25 ARG H . . 4.120 2.552 2.132 3.181 . 0 0 "[ . 1 . 2]" 1
314 1 24 ASP QB 1 25 ARG HB2 . . 4.070 4.147 4.058 4.170 0.100 18 0 "[ . 1 . 2]" 1
315 1 24 ASP QB 1 25 ARG HG3 . . 4.820 3.793 3.057 4.537 . 0 0 "[ . 1 . 2]" 1
316 1 25 ARG H 1 25 ARG HB2 . . 3.520 2.066 1.921 2.286 . 0 0 "[ . 1 . 2]" 1
317 1 25 ARG H 1 25 ARG HB3 . . 3.930 3.390 3.210 3.508 . 0 0 "[ . 1 . 2]" 1
318 1 25 ARG H 1 25 ARG HD3 . . 5.120 5.065 4.727 5.199 0.079 16 0 "[ . 1 . 2]" 1
319 1 25 ARG H 1 25 ARG HG3 . . 3.690 3.021 2.349 3.743 0.053 4 0 "[ . 1 . 2]" 1
320 1 25 ARG HA 1 25 ARG HD2 . . 4.740 4.316 4.093 4.695 . 0 0 "[ . 1 . 2]" 1
321 1 25 ARG HA 1 25 ARG HD3 . . 4.820 4.653 4.508 4.786 . 0 0 "[ . 1 . 2]" 1
322 1 25 ARG HA 1 25 ARG HG2 . . 4.100 2.355 2.214 2.681 . 0 0 "[ . 1 . 2]" 1
323 1 25 ARG HA 1 25 ARG HG3 . . 3.480 2.824 2.460 3.325 . 0 0 "[ . 1 . 2]" 1
324 1 25 ARG HA 1 26 PRO HD2 . . 3.240 2.533 2.282 2.995 . 0 0 "[ . 1 . 2]" 1
325 1 25 ARG HA 1 26 PRO HD3 . . 3.450 2.459 2.341 2.628 . 0 0 "[ . 1 . 2]" 1
326 1 25 ARG HA 1 26 PRO HG2 . . 4.900 4.621 4.446 4.935 0.035 4 0 "[ . 1 . 2]" 1
327 1 25 ARG HA 1 26 PRO HG3 . . 4.540 4.615 4.603 4.624 0.084 17 0 "[ . 1 . 2]" 1
328 1 25 ARG HA 1 27 ASP H . . 5.050 4.395 3.916 4.648 . 0 0 "[ . 1 . 2]" 1
329 1 25 ARG HB2 1 25 ARG HE . . 4.550 2.994 2.571 3.432 . 0 0 "[ . 1 . 2]" 1
330 1 25 ARG HB2 1 26 PRO HD2 . . 4.650 3.768 3.600 4.038 . 0 0 "[ . 1 . 2]" 1
331 1 25 ARG HB2 1 26 PRO HD3 . . 4.950 4.821 4.477 5.029 0.079 18 0 "[ . 1 . 2]" 1
332 1 25 ARG HB2 1 28 GLU QB . . 5.500 2.543 2.126 2.965 . 0 0 "[ . 1 . 2]" 1
333 1 25 ARG HB3 1 25 ARG HD2 . . 4.260 2.768 2.434 3.494 . 0 0 "[ . 1 . 2]" 1
334 1 25 ARG HB3 1 25 ARG HE . . 4.470 2.784 2.516 3.002 . 0 0 "[ . 1 . 2]" 1
335 1 25 ARG HB3 1 26 PRO HD2 . . 4.880 2.309 2.017 2.792 . 0 0 "[ . 1 . 2]" 1
336 1 25 ARG HB3 1 26 PRO HD3 . . 4.610 3.713 3.429 3.994 . 0 0 "[ . 1 . 2]" 1
337 1 25 ARG HB3 1 27 ASP H . . 3.860 2.619 2.163 3.075 . 0 0 "[ . 1 . 2]" 1
338 1 25 ARG HB3 1 28 GLU H . . 4.650 2.624 2.347 3.038 . 0 0 "[ . 1 . 2]" 1
339 1 25 ARG HB3 1 28 GLU QB . . 5.500 3.342 2.273 3.963 . 0 0 "[ . 1 . 2]" 1
340 1 25 ARG HB3 1 28 GLU QG . . 5.500 3.782 2.402 5.294 . 0 0 "[ . 1 . 2]" 1
341 1 25 ARG HD2 1 26 PRO HD2 . . 4.540 3.323 2.952 3.818 . 0 0 "[ . 1 . 2]" 1
342 1 25 ARG HD2 1 27 ASP H . . 5.500 4.457 3.506 5.437 . 0 0 "[ . 1 . 2]" 1
343 1 25 ARG HD3 1 26 PRO HD2 . . 4.650 4.511 4.036 4.737 0.087 6 0 "[ . 1 . 2]" 1
344 1 25 ARG HE 1 26 PRO HG2 . . 5.500 5.543 5.104 5.588 0.088 17 0 "[ . 1 . 2]" 1
345 1 25 ARG HE 1 27 ASP H . . 5.260 4.366 3.639 4.710 . 0 0 "[ . 1 . 2]" 1
346 1 25 ARG HE 1 28 GLU H . . 4.070 4.004 3.477 4.136 0.066 15 0 "[ . 1 . 2]" 1
347 1 25 ARG HG2 1 27 ASP H . . 5.250 4.598 4.134 5.227 . 0 0 "[ . 1 . 2]" 1
348 1 25 ARG HG3 1 26 PRO HD2 . . 5.500 3.877 3.487 4.436 . 0 0 "[ . 1 . 2]" 1
349 1 25 ARG HG3 1 27 ASP H . . 5.500 5.501 5.068 5.593 0.093 2 0 "[ . 1 . 2]" 1
350 1 25 ARG HG3 1 28 GLU H . . 5.450 5.213 4.915 5.504 0.054 19 0 "[ . 1 . 2]" 1
351 1 26 PRO HA 1 28 GLU H . . 5.500 4.440 4.070 4.829 . 0 0 "[ . 1 . 2]" 1
352 1 26 PRO HA 1 29 TYR QB . . 4.120 2.480 2.189 3.335 . 0 0 "[ . 1 . 2]" 1
353 1 26 PRO HA 1 29 TYR QD . . 4.440 3.653 2.778 4.444 0.004 18 0 "[ . 1 . 2]" 1
354 1 26 PRO HB3 1 27 ASP H . . 4.000 4.160 3.939 4.371 0.371 6 0 "[ . 1 . 2]" 1
355 1 26 PRO HB3 1 29 TYR H . . 5.500 5.523 5.174 5.813 0.313 18 0 "[ . 1 . 2]" 1
356 1 26 PRO HD2 1 27 ASP H . . 4.940 2.792 2.383 3.106 . 0 0 "[ . 1 . 2]" 1
357 1 26 PRO HD2 1 27 ASP HB3 . . 5.500 5.407 4.497 6.419 0.919 8 2 "[ . + 1 -. 2]" 1
358 1 26 PRO HD2 1 28 GLU H . . 4.710 4.270 3.681 4.734 0.024 8 0 "[ . 1 . 2]" 1
359 1 26 PRO HD3 1 27 ASP H . . 5.000 3.932 3.691 4.148 . 0 0 "[ . 1 . 2]" 1
360 1 26 PRO HG2 1 27 ASP H . . 4.460 2.305 1.982 2.640 . 0 0 "[ . 1 . 2]" 1
361 1 27 ASP H 1 27 ASP HB2 . . 3.780 2.523 2.016 3.620 . 0 0 "[ . 1 . 2]" 1
362 1 27 ASP H 1 27 ASP HB3 . . 3.900 3.105 2.399 3.613 . 0 0 "[ . 1 . 2]" 1
363 1 27 ASP H 1 28 GLU H . . 3.550 2.513 2.292 2.800 . 0 0 "[ . 1 . 2]" 1
364 1 27 ASP H 1 29 TYR H . . 5.090 3.868 3.646 4.282 . 0 0 "[ . 1 . 2]" 1
365 1 27 ASP HA 1 30 ARG H . . 4.450 3.420 3.071 3.991 . 0 0 "[ . 1 . 2]" 1
366 1 27 ASP HA 1 30 ARG HB2 . . 4.340 3.174 2.492 3.619 . 0 0 "[ . 1 . 2]" 1
367 1 27 ASP HA 1 30 ARG QD . . 5.500 3.830 2.585 4.577 . 0 0 "[ . 1 . 2]" 1
368 1 27 ASP HA 1 30 ARG HE . . 3.480 3.428 2.496 3.572 0.092 8 0 "[ . 1 . 2]" 1
369 1 27 ASP HA 1 30 ARG HG2 . . 5.500 5.285 4.643 5.585 0.085 3 0 "[ . 1 . 2]" 1
370 1 27 ASP HB2 1 28 GLU H . . 5.500 3.334 2.172 4.205 . 0 0 "[ . 1 . 2]" 1
371 1 27 ASP HB3 1 28 GLU H . . 4.920 3.261 2.488 3.971 . 0 0 "[ . 1 . 2]" 1
372 1 28 GLU H 1 28 GLU QG . . 4.250 2.950 2.151 4.058 . 0 0 "[ . 1 . 2]" 1
373 1 28 GLU H 1 29 TYR H . . 3.940 2.578 2.285 2.749 . 0 0 "[ . 1 . 2]" 1
374 1 28 GLU H 1 29 TYR QB . . 5.200 4.265 3.928 4.506 . 0 0 "[ . 1 . 2]" 1
375 1 28 GLU H 1 30 ARG H . . 4.720 4.097 3.734 4.296 . 0 0 "[ . 1 . 2]" 1
376 1 28 GLU HA 1 29 TYR HA . . 4.870 4.863 4.684 4.936 0.066 19 0 "[ . 1 . 2]" 1
377 1 28 GLU HA 1 30 ARG H . . 5.500 3.885 3.635 4.260 . 0 0 "[ . 1 . 2]" 1
378 1 28 GLU HA 1 30 ARG HB3 . . 5.250 5.199 4.768 5.738 0.488 18 0 "[ . 1 . 2]" 1
379 1 28 GLU HA 1 31 TRP H . . 5.410 3.073 2.722 3.500 . 0 0 "[ . 1 . 2]" 1
380 1 28 GLU HA 1 32 TRP H . . 5.500 4.869 4.041 5.576 0.076 3 0 "[ . 1 . 2]" 1
381 1 29 TYR H 1 29 TYR QB . . 3.530 2.150 2.034 2.295 . 0 0 "[ . 1 . 2]" 1
382 1 29 TYR H 1 29 TYR QD . . 4.150 4.092 3.884 4.208 0.058 2 0 "[ . 1 . 2]" 1
383 1 29 TYR H 1 30 ARG H . . 4.180 2.740 2.566 2.893 . 0 0 "[ . 1 . 2]" 1
384 1 29 TYR H 1 30 ARG QD . . 5.240 5.251 4.854 5.339 0.099 9 0 "[ . 1 . 2]" 1
385 1 29 TYR H 1 31 TRP QB . . 5.500 5.046 4.887 5.249 . 0 0 "[ . 1 . 2]" 1
386 1 29 TYR H 1 32 TRP QB . . 5.310 5.252 4.808 5.409 0.099 9 0 "[ . 1 . 2]" 1
387 1 29 TYR HA 1 29 TYR QE . . 5.310 4.384 4.174 4.643 . 0 0 "[ . 1 . 2]" 1
388 1 29 TYR HA 1 32 TRP H . . 5.210 3.244 3.069 3.435 . 0 0 "[ . 1 . 2]" 1
389 1 29 TYR HA 1 33 SER H . . 4.830 4.066 3.807 4.315 . 0 0 "[ . 1 . 2]" 1
390 1 29 TYR HA 1 33 SER QB . . 4.800 4.789 4.442 4.899 0.099 13 0 "[ . 1 . 2]" 1
391 1 29 TYR QB 1 30 ARG H . . 4.920 2.783 2.568 3.048 . 0 0 "[ . 1 . 2]" 1
392 1 29 TYR QB 1 30 ARG QD . . 3.850 3.915 3.656 3.978 0.128 17 0 "[ . 1 . 2]" 1
393 1 29 TYR QB 1 32 TRP QB . . 5.140 4.537 4.347 4.741 . 0 0 "[ . 1 . 2]" 1
394 1 29 TYR QD 1 32 TRP QB . . 5.500 3.043 2.250 3.859 . 0 0 "[ . 1 . 2]" 1
395 1 29 TYR QE 1 32 TRP QB . . 3.750 3.639 2.725 3.864 0.114 11 0 "[ . 1 . 2]" 1
396 1 30 ARG H 1 30 ARG HB3 . . 4.110 3.321 3.146 3.476 . 0 0 "[ . 1 . 2]" 1
397 1 30 ARG H 1 30 ARG QD . . 3.630 3.105 2.721 3.341 . 0 0 "[ . 1 . 2]" 1
398 1 30 ARG HA 1 30 ARG HG2 . . 4.260 3.451 3.340 3.547 . 0 0 "[ . 1 . 2]" 1
399 1 30 ARG HA 1 33 SER H . . 4.880 3.081 2.837 3.321 . 0 0 "[ . 1 . 2]" 1
400 1 30 ARG HA 1 34 GLU H . . 4.750 3.347 3.193 3.524 . 0 0 "[ . 1 . 2]" 1
401 1 30 ARG HA 1 34 GLU QB . . 5.500 4.698 4.488 5.164 . 0 0 "[ . 1 . 2]" 1
402 1 30 ARG HA 1 34 GLU HG2 . . 5.500 3.446 2.955 4.566 . 0 0 "[ . 1 . 2]" 1
403 1 30 ARG HB2 1 30 ARG HE . . 5.500 2.900 2.479 3.564 . 0 0 "[ . 1 . 2]" 1
404 1 30 ARG HB2 1 31 TRP H . . 4.710 3.455 3.047 3.765 . 0 0 "[ . 1 . 2]" 1
405 1 30 ARG HB2 1 34 GLU H . . 5.500 5.577 5.482 5.713 0.213 18 0 "[ . 1 . 2]" 1
406 1 30 ARG HB3 1 30 ARG HE . . 4.560 4.139 3.434 4.612 0.052 1 0 "[ . 1 . 2]" 1
407 1 30 ARG HB3 1 31 TRP H . . 3.390 3.167 2.845 3.454 0.064 12 0 "[ . 1 . 2]" 1
408 1 30 ARG HB3 1 34 GLU QB . . 5.500 4.362 3.936 4.873 . 0 0 "[ . 1 . 2]" 1
409 1 30 ARG HG2 1 34 GLU QB . . 4.790 4.964 4.659 5.356 0.566 1 1 "[+ . 1 . 2]" 1
410 1 30 ARG HG2 1 34 GLU HG2 . . 5.390 3.556 2.987 4.396 . 0 0 "[ . 1 . 2]" 1
411 1 30 ARG HG2 1 34 GLU HG3 . . 5.010 3.477 2.858 3.806 . 0 0 "[ . 1 . 2]" 1
412 1 30 ARG HG3 1 34 GLU QB . . 5.500 4.481 4.025 4.876 . 0 0 "[ . 1 . 2]" 1
413 1 30 ARG HG3 1 34 GLU HG3 . . 3.560 3.266 2.339 3.633 0.073 11 0 "[ . 1 . 2]" 1
414 1 31 TRP H 1 31 TRP QB . . 3.390 2.180 2.077 2.308 . 0 0 "[ . 1 . 2]" 1
415 1 31 TRP H 1 32 TRP H . . 4.650 2.752 2.502 2.924 . 0 0 "[ . 1 . 2]" 1
416 1 31 TRP HA 1 31 TRP HD1 . . 5.030 3.823 3.567 4.080 . 0 0 "[ . 1 . 2]" 1
417 1 31 TRP HA 1 31 TRP HE3 . . 4.950 3.818 3.435 4.099 . 0 0 "[ . 1 . 2]" 1
418 1 31 TRP HA 1 32 TRP QB . . 5.500 5.267 5.126 5.397 . 0 0 "[ . 1 . 2]" 1
419 1 31 TRP HA 1 34 GLU QB . . 4.070 3.180 2.561 3.650 . 0 0 "[ . 1 . 2]" 1
420 1 31 TRP HA 1 35 ASN H . . 4.880 4.007 3.789 4.195 . 0 0 "[ . 1 . 2]" 1
421 1 31 TRP HA 1 35 ASN HB3 . . 4.790 4.885 4.653 5.737 0.947 9 2 "[ . +1 . -]" 1
422 1 31 TRP HA 1 93 MET ME . . 5.140 4.332 3.827 4.637 . 0 0 "[ . 1 . 2]" 1
423 1 31 TRP HA 1 97 VAL QG . . 4.290 2.096 1.838 2.728 . 0 0 "[ . 1 . 2]" 1
424 1 31 TRP QB 1 32 TRP H . . 4.260 2.578 2.453 2.803 . 0 0 "[ . 1 . 2]" 1
425 1 31 TRP QB 1 32 TRP QB . . 4.580 3.970 3.750 4.374 . 0 0 "[ . 1 . 2]" 1
426 1 31 TRP QB 1 93 MET ME . . 4.320 4.423 4.378 4.449 0.129 1 0 "[ . 1 . 2]" 1
427 1 31 TRP HD1 1 93 MET ME . . 5.500 3.607 2.853 4.164 . 0 0 "[ . 1 . 2]" 1
428 1 31 TRP HD1 1 97 VAL QG . . 5.500 3.163 2.732 4.052 . 0 0 "[ . 1 . 2]" 1
429 1 31 TRP HE3 1 32 TRP H . . 4.960 3.635 3.089 4.156 . 0 0 "[ . 1 . 2]" 1
430 1 31 TRP HE3 1 35 ASN H . . 5.500 4.342 3.989 4.799 . 0 0 "[ . 1 . 2]" 1
431 1 31 TRP HE3 1 97 VAL QG . . 4.230 3.179 2.861 3.611 . 0 0 "[ . 1 . 2]" 1
432 1 31 TRP HH2 1 97 VAL QG . . 4.330 3.280 2.870 3.696 . 0 0 "[ . 1 . 2]" 1
433 1 31 TRP HH2 1 98 VAL QG . . 5.500 5.396 5.302 5.443 . 0 0 "[ . 1 . 2]" 1
434 1 31 TRP HZ2 1 97 VAL QG . . 4.770 3.344 2.885 3.748 . 0 0 "[ . 1 . 2]" 1
435 1 31 TRP HZ3 1 97 VAL QG . . 4.010 3.301 2.860 3.761 . 0 0 "[ . 1 . 2]" 1
436 1 32 TRP H 1 32 TRP QB . . 3.420 2.132 1.993 2.243 . 0 0 "[ . 1 . 2]" 1
437 1 32 TRP H 1 33 SER H . . 5.320 2.738 2.525 2.909 . 0 0 "[ . 1 . 2]" 1
438 1 32 TRP H 1 34 GLU H . . 4.330 4.382 4.258 4.408 0.078 6 0 "[ . 1 . 2]" 1
439 1 32 TRP H 1 97 VAL QG . . 5.310 4.530 4.295 4.838 . 0 0 "[ . 1 . 2]" 1
440 1 32 TRP HA 1 32 TRP HZ3 . . 5.500 5.059 4.616 5.572 0.072 15 0 "[ . 1 . 2]" 1
441 1 32 TRP QB 1 33 SER H . . 3.680 2.648 2.469 2.933 . 0 0 "[ . 1 . 2]" 1
442 1 32 TRP QB 1 33 SER HA . . 5.500 3.977 3.668 4.499 . 0 0 "[ . 1 . 2]" 1
443 1 32 TRP QB 1 33 SER QB . . 4.060 3.983 3.651 4.172 0.112 13 0 "[ . 1 . 2]" 1
444 1 32 TRP QB 1 35 ASN H . . 5.500 4.972 4.723 5.166 . 0 0 "[ . 1 . 2]" 1
445 1 32 TRP QB 1 35 ASN HD21 . . 4.270 4.301 3.985 4.378 0.108 11 0 "[ . 1 . 2]" 1
446 1 32 TRP HE3 1 33 SER HA . . 5.130 4.349 3.328 5.210 0.080 11 0 "[ . 1 . 2]" 1
447 1 33 SER H 1 34 GLU H . . 4.040 2.813 2.700 2.940 . 0 0 "[ . 1 . 2]" 1
448 1 33 SER H 1 34 GLU HA . . 5.500 5.414 5.304 5.518 0.018 20 0 "[ . 1 . 2]" 1
449 1 33 SER H 1 35 ASN H . . 5.410 4.011 3.877 4.147 . 0 0 "[ . 1 . 2]" 1
450 1 33 SER QB 1 35 ASN H . . 4.720 4.566 4.396 4.651 . 0 0 "[ . 1 . 2]" 1
451 1 34 GLU H 1 34 GLU HG3 . . 3.770 3.295 2.288 3.844 0.074 13 0 "[ . 1 . 2]" 1
452 1 34 GLU H 1 35 ASN H . . 3.000 2.590 2.333 2.735 . 0 0 "[ . 1 . 2]" 1
453 1 34 GLU H 1 35 ASN HB3 . . 4.530 4.511 4.271 4.730 0.200 9 0 "[ . 1 . 2]" 1
454 1 34 GLU H 1 36 SER H . . 5.500 4.238 3.956 4.618 . 0 0 "[ . 1 . 2]" 1
455 1 34 GLU HA 1 34 GLU HG2 . . 4.130 2.929 2.322 3.479 . 0 0 "[ . 1 . 2]" 1
456 1 34 GLU HA 1 34 GLU HG3 . . 3.690 3.730 3.312 3.778 0.088 2 0 "[ . 1 . 2]" 1
457 1 34 GLU HG2 1 35 ASN H . . 4.780 4.537 4.361 4.851 0.071 8 0 "[ . 1 . 2]" 1
458 1 34 GLU HG3 1 97 VAL QG . . 3.770 3.437 2.803 3.766 . 0 0 "[ . 1 . 2]" 1
459 1 35 ASN H 1 35 ASN HB3 . . 4.180 2.225 2.094 2.596 . 0 0 "[ . 1 . 2]" 1
460 1 35 ASN H 1 36 SER H . . 3.650 2.744 2.550 2.904 . 0 0 "[ . 1 . 2]" 1
461 1 35 ASN H 1 38 ARG H . . 5.500 5.514 5.156 5.593 0.093 10 0 "[ . 1 . 2]" 1
462 1 35 ASN HD21 1 36 SER H . . 5.500 3.155 2.340 4.621 . 0 0 "[ . 1 . 2]" 1
463 1 36 SER H 1 37 ALA H . . 4.690 2.877 2.785 3.020 . 0 0 "[ . 1 . 2]" 1
464 1 36 SER H 1 38 ARG H . . 4.820 4.474 4.322 4.714 . 0 0 "[ . 1 . 2]" 1
465 1 37 ALA H 1 37 ALA MB . . 3.160 2.218 2.133 2.275 . 0 0 "[ . 1 . 2]" 1
466 1 37 ALA H 1 38 ARG H . . 3.410 2.774 2.545 2.874 . 0 0 "[ . 1 . 2]" 1
467 1 37 ALA HA 1 38 ARG HA . . 5.500 4.636 4.538 4.717 . 0 0 "[ . 1 . 2]" 1
468 1 37 ALA MB 1 38 ARG H . . 4.340 2.762 2.409 3.051 . 0 0 "[ . 1 . 2]" 1
469 1 37 ALA MB 1 38 ARG HA . . 4.740 4.217 3.794 4.579 . 0 0 "[ . 1 . 2]" 1
470 1 37 ALA MB 1 38 ARG QD . . 5.480 4.056 3.410 4.716 . 0 0 "[ . 1 . 2]" 1
471 1 37 ALA MB 1 38 ARG HE . . 5.500 4.221 2.218 5.564 0.064 18 0 "[ . 1 . 2]" 1
472 1 37 ALA MB 1 38 ARG QG . . 3.490 2.568 2.195 3.081 . 0 0 "[ . 1 . 2]" 1
473 1 37 ALA MB 1 39 TYR H . . 4.500 4.402 3.810 4.606 0.106 18 0 "[ . 1 . 2]" 1
474 1 38 ARG H 1 38 ARG QB . . 3.320 2.891 2.220 3.435 0.115 11 0 "[ . 1 . 2]" 1
475 1 38 ARG H 1 38 ARG QD . . 5.330 4.735 4.042 5.119 . 0 0 "[ . 1 . 2]" 1
476 1 38 ARG H 1 38 ARG HE . . 5.370 4.861 4.057 5.457 0.087 15 0 "[ . 1 . 2]" 1
477 1 38 ARG H 1 38 ARG QG . . 3.440 2.885 2.258 3.366 . 0 0 "[ . 1 . 2]" 1
478 1 38 ARG H 1 39 TYR H . . 3.540 2.272 1.952 3.015 . 0 0 "[ . 1 . 2]" 1
479 1 38 ARG HA 1 38 ARG QD . . 4.630 3.795 2.101 4.608 . 0 0 "[ . 1 . 2]" 1
480 1 38 ARG HA 1 38 ARG QG . . 3.870 2.789 2.156 3.391 . 0 0 "[ . 1 . 2]" 1
481 1 38 ARG QB 1 38 ARG QD . . 3.340 2.336 2.056 2.852 . 0 0 "[ . 1 . 2]" 1
482 1 38 ARG QB 1 38 ARG HE . . 4.310 2.815 1.877 4.103 . 0 0 "[ . 1 . 2]" 1
483 1 38 ARG HE 1 39 TYR H . . 4.990 4.942 4.575 5.074 0.084 4 0 "[ . 1 . 2]" 1
484 1 38 ARG QG 1 39 TYR H . . 4.490 3.363 2.003 4.092 . 0 0 "[ . 1 . 2]" 1
485 1 39 TYR H 1 40 PRO HG3 . . 5.500 5.550 5.321 5.589 0.089 18 0 "[ . 1 . 2]" 1
486 1 39 TYR HA 1 40 PRO HD2 . . 3.970 2.149 2.045 2.448 . 0 0 "[ . 1 . 2]" 1
487 1 39 TYR HA 1 40 PRO HD3 . . 3.610 2.847 2.311 3.653 0.043 19 0 "[ . 1 . 2]" 1
488 1 39 TYR QB 1 40 PRO HD2 . . 5.300 3.813 2.998 4.279 . 0 0 "[ . 1 . 2]" 1
489 1 39 TYR QB 1 40 PRO HD3 . . 5.500 4.441 3.959 4.817 . 0 0 "[ . 1 . 2]" 1
490 1 39 TYR QB 1 41 ASN HA . . 5.500 5.173 4.489 5.601 0.101 19 0 "[ . 1 . 2]" 1
491 1 40 PRO HA 1 42 ARG H . . 4.240 3.882 3.265 4.309 0.069 18 0 "[ . 1 . 2]" 1
492 1 40 PRO HA 1 105 MET ME . . 5.260 4.955 4.295 5.345 0.085 14 0 "[ . 1 . 2]" 1
493 1 40 PRO HB2 1 42 ARG H . . 5.470 2.852 2.197 3.430 . 0 0 "[ . 1 . 2]" 1
494 1 40 PRO HB2 1 42 ARG HE . . 4.620 4.622 4.021 4.709 0.089 16 0 "[ . 1 . 2]" 1
495 1 40 PRO HB2 1 102 ILE HG12 . . 3.850 3.787 3.255 4.219 0.369 6 0 "[ . 1 . 2]" 1
496 1 40 PRO HB2 1 102 ILE MG . . 5.500 5.264 4.892 5.547 0.047 15 0 "[ . 1 . 2]" 1
497 1 40 PRO HB3 1 41 ASN H . . 4.520 4.276 3.556 4.573 0.053 11 0 "[ . 1 . 2]" 1
498 1 40 PRO HB3 1 65 THR MG . . 5.500 4.087 3.812 4.588 . 0 0 "[ . 1 . 2]" 1
499 1 40 PRO HB3 1 102 ILE MD . . 5.450 3.892 3.539 5.090 . 0 0 "[ . 1 . 2]" 1
500 1 40 PRO HB3 1 102 ILE HG12 . . 5.500 4.621 4.206 5.262 . 0 0 "[ . 1 . 2]" 1
501 1 40 PRO HD2 1 98 VAL QG . . 5.500 2.826 2.248 3.328 . 0 0 "[ . 1 . 2]" 1
502 1 40 PRO HD3 1 98 VAL QG . . 5.220 2.660 2.105 4.180 . 0 0 "[ . 1 . 2]" 1
503 1 40 PRO HD3 1 101 VAL QG . . 5.500 3.626 3.089 4.988 . 0 0 "[ . 1 . 2]" 1
504 1 40 PRO HG2 1 43 VAL QG . . 5.500 4.292 3.900 4.906 . 0 0 "[ . 1 . 2]" 1
505 1 40 PRO HG2 1 65 THR MG . . 5.500 4.271 3.258 4.973 . 0 0 "[ . 1 . 2]" 1
506 1 40 PRO HG2 1 102 ILE MD . . 4.780 3.343 2.423 3.785 . 0 0 "[ . 1 . 2]" 1
507 1 40 PRO HG2 1 102 ILE HG12 . . 5.500 3.239 2.275 4.133 . 0 0 "[ . 1 . 2]" 1
508 1 40 PRO HG2 1 102 ILE MG . . 5.500 4.962 4.201 5.385 . 0 0 "[ . 1 . 2]" 1
509 1 40 PRO HG3 1 43 VAL QG . . 5.350 4.972 4.452 5.364 0.014 12 0 "[ . 1 . 2]" 1
510 1 40 PRO HG3 1 65 THR MG . . 4.970 3.922 3.078 4.429 . 0 0 "[ . 1 . 2]" 1
511 1 40 PRO HG3 1 102 ILE MD . . 5.320 2.381 2.091 3.302 . 0 0 "[ . 1 . 2]" 1
512 1 40 PRO HG3 1 102 ILE HG13 . . 5.500 2.995 2.586 4.849 . 0 0 "[ . 1 . 2]" 1
513 1 40 PRO HG3 1 102 ILE MG . . 5.500 4.901 4.280 5.437 . 0 0 "[ . 1 . 2]" 1
514 1 40 PRO HG3 1 105 MET ME . . 5.500 4.275 3.614 5.587 0.087 19 0 "[ . 1 . 2]" 1
515 1 41 ASN H 1 42 ARG H . . 3.500 3.109 1.867 3.574 0.074 7 0 "[ . 1 . 2]" 1
516 1 41 ASN H 1 101 VAL QG . . 4.460 3.856 3.256 4.466 0.006 16 0 "[ . 1 . 2]" 1
517 1 41 ASN HA 1 42 ARG HA . . 4.780 4.556 4.322 4.673 . 0 0 "[ . 1 . 2]" 1
518 1 41 ASN HA 1 105 MET ME . . 3.990 2.520 2.026 2.985 . 0 0 "[ . 1 . 2]" 1
519 1 41 ASN HB2 1 42 ARG HD2 . . 5.100 4.974 3.833 5.188 0.088 10 0 "[ . 1 . 2]" 1
520 1 41 ASN HB2 1 42 ARG HD3 . . 4.770 3.904 2.716 4.451 . 0 0 "[ . 1 . 2]" 1
521 1 41 ASN HB3 1 42 ARG HD3 . . 5.500 5.097 2.064 5.574 0.074 3 0 "[ . 1 . 2]" 1
522 1 41 ASN HD21 1 42 ARG HE . . 5.500 5.530 5.111 6.485 0.985 16 1 "[ . 1 .+ 2]" 1
523 1 42 ARG H 1 42 ARG HB2 . . 3.520 3.137 2.801 3.662 0.142 12 0 "[ . 1 . 2]" 1
524 1 42 ARG H 1 42 ARG HE . . 4.060 3.330 2.462 4.122 0.062 8 0 "[ . 1 . 2]" 1
525 1 42 ARG H 1 42 ARG QG . . 4.010 2.866 2.515 3.519 . 0 0 "[ . 1 . 2]" 1
526 1 42 ARG H 1 43 VAL H . . 5.060 4.371 4.290 4.488 . 0 0 "[ . 1 . 2]" 1
527 1 42 ARG H 1 105 MET ME . . 5.500 2.997 2.421 3.888 . 0 0 "[ . 1 . 2]" 1
528 1 42 ARG HA 1 42 ARG QG . . 3.740 2.869 2.563 3.193 . 0 0 "[ . 1 . 2]" 1
529 1 42 ARG HA 1 43 VAL H . . 3.040 2.507 2.411 2.600 . 0 0 "[ . 1 . 2]" 1
530 1 42 ARG HA 1 43 VAL HA . . 5.500 4.493 4.334 4.560 . 0 0 "[ . 1 . 2]" 1
531 1 42 ARG HA 1 43 VAL QG . . 4.830 2.936 2.562 3.255 . 0 0 "[ . 1 . 2]" 1
532 1 42 ARG HA 1 105 MET ME . . 5.000 3.235 2.491 4.039 . 0 0 "[ . 1 . 2]" 1
533 1 42 ARG HB2 1 42 ARG HD3 . . 4.230 3.539 2.928 3.702 . 0 0 "[ . 1 . 2]" 1
534 1 42 ARG HB2 1 42 ARG HE . . 4.060 2.375 1.928 3.473 . 0 0 "[ . 1 . 2]" 1
535 1 42 ARG HB2 1 43 VAL H . . 4.370 2.976 2.547 3.365 . 0 0 "[ . 1 . 2]" 1
536 1 42 ARG HB2 1 105 MET ME . . 5.500 5.071 4.560 5.586 0.086 7 0 "[ . 1 . 2]" 1
537 1 42 ARG HB3 1 42 ARG HD3 . . 4.270 3.904 3.714 4.124 . 0 0 "[ . 1 . 2]" 1
538 1 42 ARG HB3 1 42 ARG HE . . 3.950 3.768 3.201 4.118 0.168 12 0 "[ . 1 . 2]" 1
539 1 42 ARG HB3 1 43 VAL H . . 5.500 2.540 2.164 3.022 . 0 0 "[ . 1 . 2]" 1
540 1 42 ARG QG 1 43 VAL H . . 5.500 4.229 3.840 4.583 . 0 0 "[ . 1 . 2]" 1
541 1 42 ARG QG 1 43 VAL QG . . 5.500 4.700 4.388 4.997 . 0 0 "[ . 1 . 2]" 1
542 1 42 ARG QG 1 105 MET ME . . 5.500 4.513 4.233 5.300 . 0 0 "[ . 1 . 2]" 1
543 1 43 VAL H 1 43 VAL QG . . 3.810 2.353 2.110 3.030 . 0 0 "[ . 1 . 2]" 1
544 1 43 VAL H 1 44 TYR H . . 5.500 4.390 4.296 4.473 . 0 0 "[ . 1 . 2]" 1
545 1 43 VAL H 1 44 TYR HA . . 5.500 4.756 4.580 4.912 . 0 0 "[ . 1 . 2]" 1
546 1 43 VAL H 1 105 MET ME . . 5.500 4.587 3.770 5.172 . 0 0 "[ . 1 . 2]" 1
547 1 43 VAL HA 1 65 THR MG . . 3.610 2.087 1.970 2.269 . 0 0 "[ . 1 . 2]" 1
548 1 43 VAL HA 1 69 TYR QE . . 5.500 4.424 3.171 5.591 0.091 9 0 "[ . 1 . 2]" 1
549 1 43 VAL HA 1 105 MET ME . . 5.500 4.613 4.034 5.218 . 0 0 "[ . 1 . 2]" 1
550 1 43 VAL HB 1 44 TYR H . . 4.680 2.706 2.328 4.313 . 0 0 "[ . 1 . 2]" 1
551 1 43 VAL HB 1 65 THR MG . . 5.250 3.287 2.782 4.441 . 0 0 "[ . 1 . 2]" 1
552 1 43 VAL HB 1 102 ILE MG . . 5.500 3.301 2.899 4.731 . 0 0 "[ . 1 . 2]" 1
553 1 43 VAL HB 1 105 MET ME . . 5.500 4.856 3.572 5.569 0.069 1 0 "[ . 1 . 2]" 1
554 1 43 VAL QG 1 44 TYR H . . 4.370 3.048 2.214 3.320 . 0 0 "[ . 1 . 2]" 1
555 1 43 VAL QG 1 44 TYR HA . . 5.230 3.898 3.674 4.256 . 0 0 "[ . 1 . 2]" 1
556 1 43 VAL QG 1 45 TYR QD . . 4.600 2.911 2.189 4.345 . 0 0 "[ . 1 . 2]" 1
557 1 43 VAL QG 1 58 VAL QG . . 5.240 4.401 4.208 4.583 . 0 0 "[ . 1 . 2]" 1
558 1 43 VAL QG 1 65 THR MG . . 4.100 2.329 2.051 2.653 . 0 0 "[ . 1 . 2]" 1
559 1 43 VAL QG 1 102 ILE HA . . 5.040 2.302 2.018 3.058 . 0 0 "[ . 1 . 2]" 1
560 1 43 VAL QG 1 102 ILE MD . . 4.940 3.924 3.641 4.383 . 0 0 "[ . 1 . 2]" 1
561 1 43 VAL QG 1 102 ILE HG13 . . 5.500 3.764 2.774 4.421 . 0 0 "[ . 1 . 2]" 1
562 1 43 VAL QG 1 102 ILE MG . . 3.210 2.310 1.995 2.750 . 0 0 "[ . 1 . 2]" 1
563 1 43 VAL QG 1 105 MET HA . . 5.500 3.961 3.804 4.278 . 0 0 "[ . 1 . 2]" 1
564 1 43 VAL QG 1 105 MET HB2 . . 4.170 2.262 2.011 3.361 . 0 0 "[ . 1 . 2]" 1
565 1 43 VAL QG 1 105 MET HB3 . . 4.000 2.121 1.949 2.547 . 0 0 "[ . 1 . 2]" 1
566 1 43 VAL QG 1 105 MET ME . . 3.750 2.365 1.929 2.923 . 0 0 "[ . 1 . 2]" 1
567 1 43 VAL QG 1 106 CYS H . . 4.090 2.789 2.499 3.122 . 0 0 "[ . 1 . 2]" 1
568 1 43 VAL QG 1 106 CYS HA . . 3.750 2.562 2.133 3.001 . 0 0 "[ . 1 . 2]" 1
569 1 43 VAL QG 1 106 CYS QB . . 5.500 3.223 2.199 3.483 . 0 0 "[ . 1 . 2]" 1
570 1 43 VAL QG 1 107 VAL H . . 5.500 4.666 4.318 4.891 . 0 0 "[ . 1 . 2]" 1
571 1 43 VAL QG 1 109 GLN QB . . 5.500 3.663 3.171 4.332 . 0 0 "[ . 1 . 2]" 1
572 1 43 VAL QG 1 109 GLN QG . . 5.500 3.512 2.500 4.142 . 0 0 "[ . 1 . 2]" 1
573 1 44 TYR H 1 44 TYR HB2 . . 4.000 2.490 2.360 2.623 . 0 0 "[ . 1 . 2]" 1
574 1 44 TYR H 1 44 TYR HB3 . . 3.870 3.606 3.517 3.705 . 0 0 "[ . 1 . 2]" 1
575 1 44 TYR H 1 44 TYR QD . . 5.500 3.417 3.133 3.791 . 0 0 "[ . 1 . 2]" 1
576 1 44 TYR H 1 61 CYS HA . . 5.460 4.669 4.251 5.452 . 0 0 "[ . 1 . 2]" 1
577 1 44 TYR H 1 64 ILE HB . . 5.500 5.043 4.426 5.453 . 0 0 "[ . 1 . 2]" 1
578 1 44 TYR H 1 65 THR H . . 5.500 3.939 3.675 4.104 . 0 0 "[ . 1 . 2]" 1
579 1 44 TYR H 1 65 THR HA . . 4.100 3.628 3.127 3.913 . 0 0 "[ . 1 . 2]" 1
580 1 44 TYR H 1 65 THR HB . . 4.080 3.866 3.754 3.991 . 0 0 "[ . 1 . 2]" 1
581 1 44 TYR H 1 65 THR HG1 . . 3.170 2.307 2.165 2.423 . 0 0 "[ . 1 . 2]" 1
582 1 44 TYR H 1 65 THR MG . . 4.860 2.917 2.538 3.219 . 0 0 "[ . 1 . 2]" 1
583 1 44 TYR HA 1 45 TYR H . . 3.030 2.274 2.135 2.352 . 0 0 "[ . 1 . 2]" 1
584 1 44 TYR HA 1 45 TYR QD . . 4.990 3.111 2.670 4.212 . 0 0 "[ . 1 . 2]" 1
585 1 44 TYR HB2 1 45 TYR H . . 5.180 4.107 3.834 4.329 . 0 0 "[ . 1 . 2]" 1
586 1 44 TYR HB2 1 64 ILE MG . . 4.130 2.465 2.274 2.854 . 0 0 "[ . 1 . 2]" 1
587 1 44 TYR HB2 1 65 THR HA . . 4.560 2.870 2.357 3.346 . 0 0 "[ . 1 . 2]" 1
588 1 44 TYR HB3 1 64 ILE HB . . 5.090 4.396 3.649 4.931 . 0 0 "[ . 1 . 2]" 1
589 1 44 TYR HB3 1 64 ILE MG . . 4.140 2.523 2.235 2.883 . 0 0 "[ . 1 . 2]" 1
590 1 44 TYR HB3 1 65 THR HA . . 5.480 4.498 3.904 5.074 . 0 0 "[ . 1 . 2]" 1
591 1 44 TYR QD 1 45 TYR H . . 5.500 3.422 2.985 3.951 . 0 0 "[ . 1 . 2]" 1
592 1 44 TYR QD 1 64 ILE MG . . 4.880 3.765 2.808 4.101 . 0 0 "[ . 1 . 2]" 1
593 1 44 TYR QD 1 65 THR HA . . 5.220 3.311 2.488 4.277 . 0 0 "[ . 1 . 2]" 1
594 1 44 TYR QD 1 65 THR MG . . 5.500 3.002 2.359 3.689 . 0 0 "[ . 1 . 2]" 1
595 1 44 TYR QD 1 69 TYR QE . . 4.890 4.194 2.986 4.829 . 0 0 "[ . 1 . 2]" 1
596 1 44 TYR QE 1 45 TYR H . . 5.500 5.527 5.160 5.597 0.097 14 0 "[ . 1 . 2]" 1
597 1 44 TYR QE 1 64 ILE MG . . 5.500 5.248 4.461 5.603 0.103 1 0 "[ . 1 . 2]" 1
598 1 44 TYR QE 1 65 THR HA . . 5.500 5.270 4.541 5.597 0.097 14 0 "[ . 1 . 2]" 1
599 1 44 TYR QE 1 65 THR MG . . 5.500 4.583 4.088 5.149 . 0 0 "[ . 1 . 2]" 1
600 1 44 TYR QE 1 68 GLU HB2 . . 5.500 4.977 3.711 5.593 0.093 5 0 "[ . 1 . 2]" 1
601 1 44 TYR QE 1 68 GLU HB3 . . 5.330 4.493 3.400 5.355 0.025 7 0 "[ . 1 . 2]" 1
602 1 44 TYR QE 1 69 TYR QE . . 5.030 3.886 2.328 5.120 0.090 4 0 "[ . 1 . 2]" 1
603 1 45 TYR H 1 45 TYR QD . . 5.110 2.781 2.017 3.338 . 0 0 "[ . 1 . 2]" 1
604 1 45 TYR H 1 45 TYR QE . . 5.500 4.161 3.781 4.511 . 0 0 "[ . 1 . 2]" 1
605 1 45 TYR H 1 46 ARG H . . 5.230 4.400 4.266 4.506 . 0 0 "[ . 1 . 2]" 1
606 1 45 TYR H 1 46 ARG HA . . 5.500 4.804 4.646 5.008 . 0 0 "[ . 1 . 2]" 1
607 1 45 TYR H 1 64 ILE MG . . 4.750 4.258 3.721 4.832 0.082 8 0 "[ . 1 . 2]" 1
608 1 45 TYR HA 1 46 ARG H . . 3.150 2.328 2.155 2.431 . 0 0 "[ . 1 . 2]" 1
609 1 45 TYR HA 1 61 CYS HA . . 3.030 2.523 2.156 2.793 . 0 0 "[ . 1 . 2]" 1
610 1 45 TYR HA 1 61 CYS HB2 . . 4.440 3.431 2.917 3.779 . 0 0 "[ . 1 . 2]" 1
611 1 45 TYR HA 1 64 ILE HB . . 4.600 4.055 3.444 4.664 0.064 1 0 "[ . 1 . 2]" 1
612 1 45 TYR HA 1 64 ILE MD . . 4.520 3.516 2.818 4.416 . 0 0 "[ . 1 . 2]" 1
613 1 45 TYR HA 1 64 ILE MG . . 4.420 3.925 3.086 4.509 0.089 8 0 "[ . 1 . 2]" 1
614 1 45 TYR HB2 1 46 ARG H . . 3.900 2.735 2.264 3.383 . 0 0 "[ . 1 . 2]" 1
615 1 45 TYR HB2 1 48 TYR H . . 4.930 4.980 4.711 5.016 0.086 18 0 "[ . 1 . 2]" 1
616 1 45 TYR HB2 1 61 CYS HB2 . . 4.020 3.791 3.072 4.103 0.083 4 0 "[ . 1 . 2]" 1
617 1 45 TYR HB3 1 46 ARG H . . 4.890 3.651 2.978 3.963 . 0 0 "[ . 1 . 2]" 1
618 1 45 TYR HB3 1 61 CYS HB2 . . 3.830 2.785 2.272 3.644 . 0 0 "[ . 1 . 2]" 1
619 1 45 TYR QD 1 57 PHE QD . . 5.040 4.978 3.887 5.157 0.117 16 0 "[ . 1 . 2]" 1
620 1 45 TYR QD 1 57 PHE QE . . 5.500 3.239 2.694 4.059 . 0 0 "[ . 1 . 2]" 1
621 1 46 ARG H 1 46 ARG HB3 . . 3.570 3.266 2.653 3.734 0.164 19 0 "[ . 1 . 2]" 1
622 1 46 ARG H 1 46 ARG HE . . 5.500 5.203 4.218 5.569 0.069 4 0 "[ . 1 . 2]" 1
623 1 46 ARG H 1 46 ARG HG3 . . 4.440 2.807 2.239 3.791 . 0 0 "[ . 1 . 2]" 1
624 1 46 ARG H 1 48 TYR QE . . 4.170 3.248 1.898 4.265 0.095 2 0 "[ . 1 . 2]" 1
625 1 46 ARG H 1 64 ILE MD . . 4.170 3.325 2.657 4.218 0.048 2 0 "[ . 1 . 2]" 1
626 1 46 ARG H 1 64 ILE MG . . 5.500 4.702 3.790 5.238 . 0 0 "[ . 1 . 2]" 1
627 1 46 ARG HA 1 46 ARG HD2 . . 4.660 4.790 4.547 5.488 0.828 17 1 "[ . 1 . + 2]" 1
628 1 46 ARG HA 1 46 ARG HG3 . . 3.970 3.590 3.192 3.922 . 0 0 "[ . 1 . 2]" 1
629 1 46 ARG HA 1 47 ASP H . . 3.650 2.541 2.205 3.338 . 0 0 "[ . 1 . 2]" 1
630 1 46 ARG HA 1 64 ILE MD . . 4.710 3.960 3.444 4.686 . 0 0 "[ . 1 . 2]" 1
631 1 46 ARG HB2 1 46 ARG HD2 . . 4.270 3.257 2.551 3.921 . 0 0 "[ . 1 . 2]" 1
632 1 46 ARG HB2 1 46 ARG HD3 . . 4.220 3.117 2.374 3.899 . 0 0 "[ . 1 . 2]" 1
633 1 46 ARG HB2 1 46 ARG HE . . 4.310 3.418 2.212 4.102 . 0 0 "[ . 1 . 2]" 1
634 1 46 ARG HB2 1 47 ASP H . . 4.490 3.055 1.973 4.373 . 0 0 "[ . 1 . 2]" 1
635 1 46 ARG HB2 1 64 ILE MD . . 4.660 3.993 3.438 4.786 0.126 2 0 "[ . 1 . 2]" 1
636 1 46 ARG HB3 1 46 ARG HE . . 4.710 3.120 2.137 4.402 . 0 0 "[ . 1 . 2]" 1
637 1 46 ARG HB3 1 46 ARG HG3 . . 2.810 3.027 2.993 3.054 0.244 14 0 "[ . 1 . 2]" 1
638 1 46 ARG HB3 1 47 ASP H . . 4.500 3.176 2.234 4.514 0.014 15 0 "[ . 1 . 2]" 1
639 1 46 ARG HB3 1 64 ILE MD . . 5.500 3.415 2.059 4.729 . 0 0 "[ . 1 . 2]" 1
640 1 46 ARG HD2 1 48 TYR QE . . 4.770 4.265 2.490 5.196 0.426 18 0 "[ . 1 . 2]" 1
641 1 46 ARG HD2 1 60 ASP QB . . 5.500 4.023 2.965 4.919 . 0 0 "[ . 1 . 2]" 1
642 1 46 ARG HD2 1 64 ILE MD . . 5.230 2.588 2.029 3.827 . 0 0 "[ . 1 . 2]" 1
643 1 46 ARG HD3 1 60 ASP QB . . 4.410 3.719 2.241 4.788 0.378 12 0 "[ . 1 . 2]" 1
644 1 46 ARG HD3 1 64 ILE MD . . 4.900 3.404 2.064 4.372 . 0 0 "[ . 1 . 2]" 1
645 1 46 ARG HE 1 46 ARG HG2 . . 3.920 2.965 2.259 3.615 . 0 0 "[ . 1 . 2]" 1
646 1 46 ARG HE 1 47 ASP H . . 5.500 4.607 3.856 5.570 0.070 17 0 "[ . 1 . 2]" 1
647 1 46 ARG HE 1 64 ILE MD . . 5.500 4.257 2.165 5.538 0.038 5 0 "[ . 1 . 2]" 1
648 1 46 ARG HG2 1 47 ASP H . . 4.200 4.263 3.695 4.949 0.749 17 2 "[ - 1 . + 2]" 1
649 1 46 ARG HG3 1 47 ASP H . . 5.500 4.162 2.998 5.067 . 0 0 "[ . 1 . 2]" 1
650 1 46 ARG HG3 1 48 TYR QD . . 5.190 4.057 2.719 5.071 . 0 0 "[ . 1 . 2]" 1
651 1 46 ARG HG3 1 48 TYR QE . . 5.160 3.520 2.714 4.178 . 0 0 "[ . 1 . 2]" 1
652 1 46 ARG HG3 1 60 ASP QB . . 4.580 4.192 2.907 5.241 0.661 1 2 "[+ . - 1 . 2]" 1
653 1 46 ARG HG3 1 64 ILE MD . . 4.370 3.230 1.987 4.876 0.506 5 1 "[ + 1 . 2]" 1
654 1 47 ASP H 1 48 TYR H . . 4.860 3.850 2.885 4.117 . 0 0 "[ . 1 . 2]" 1
655 1 47 ASP HA 1 48 TYR H . . 3.550 2.297 2.080 2.526 . 0 0 "[ . 1 . 2]" 1
656 1 47 ASP HA 1 48 TYR QD . . 5.500 4.103 3.487 5.025 . 0 0 "[ . 1 . 2]" 1
657 1 48 TYR H 1 48 TYR HB3 . . 3.750 3.617 3.494 3.715 . 0 0 "[ . 1 . 2]" 1
658 1 48 TYR H 1 48 TYR QD . . 4.540 2.378 1.813 3.159 . 0 0 "[ . 1 . 2]" 1
659 1 48 TYR H 1 48 TYR QE . . 5.500 4.274 3.744 5.146 . 0 0 "[ . 1 . 2]" 1
660 1 48 TYR H 1 49 SER H . . 5.380 4.639 4.567 4.714 . 0 0 "[ . 1 . 2]" 1
661 1 48 TYR HA 1 48 TYR QD . . 4.120 2.938 2.313 3.309 . 0 0 "[ . 1 . 2]" 1
662 1 48 TYR HA 1 49 SER H . . 2.960 2.302 2.160 2.488 . 0 0 "[ . 1 . 2]" 1
663 1 48 TYR HA 1 49 SER HA . . 5.500 4.225 4.059 4.397 . 0 0 "[ . 1 . 2]" 1
664 1 48 TYR HA 1 50 SER H . . 5.000 4.497 4.047 4.988 . 0 0 "[ . 1 . 2]" 1
665 1 48 TYR HB2 1 49 SER H . . 3.800 3.796 3.421 4.098 0.298 20 0 "[ . 1 . 2]" 1
666 1 48 TYR HB2 1 50 SER H . . 4.050 3.713 3.132 4.320 0.270 10 0 "[ . 1 . 2]" 1
667 1 48 TYR HB3 1 49 SER H . . 4.260 2.700 2.391 3.229 . 0 0 "[ . 1 . 2]" 1
668 1 48 TYR HB3 1 50 SER H . . 5.030 3.194 2.816 3.620 . 0 0 "[ . 1 . 2]" 1
669 1 48 TYR HB3 1 52 VAL MG1 . . 5.500 2.582 2.155 3.312 . 0 0 "[ . 1 . 2]" 1
670 1 48 TYR HB3 1 52 VAL MG2 . . 4.430 3.410 2.636 3.816 . 0 0 "[ . 1 . 2]" 1
671 1 48 TYR QD 1 49 SER H . . 5.500 3.877 2.759 4.620 . 0 0 "[ . 1 . 2]" 1
672 1 48 TYR QD 1 52 VAL MG1 . . 5.010 2.716 2.006 3.528 . 0 0 "[ . 1 . 2]" 1
673 1 48 TYR QD 1 52 VAL MG2 . . 3.440 2.791 2.296 3.538 0.098 1 0 "[ . 1 . 2]" 1
674 1 48 TYR QE 1 52 VAL MG1 . . 5.020 3.762 3.213 4.566 . 0 0 "[ . 1 . 2]" 1
675 1 48 TYR QE 1 52 VAL MG2 . . 5.410 3.854 2.500 4.624 . 0 0 "[ . 1 . 2]" 1
676 1 48 TYR QE 1 56 VAL QG . . 5.190 3.151 2.136 4.294 . 0 0 "[ . 1 . 2]" 1
677 1 48 TYR QE 1 57 PHE HA . . 4.620 2.942 2.507 3.274 . 0 0 "[ . 1 . 2]" 1
678 1 48 TYR QE 1 57 PHE HB2 . . 4.980 4.422 4.208 4.627 . 0 0 "[ . 1 . 2]" 1
679 1 48 TYR QE 1 57 PHE HB3 . . 5.320 5.291 5.120 5.415 0.095 2 0 "[ . 1 . 2]" 1
680 1 48 TYR QE 1 60 ASP H . . 5.500 4.368 4.006 4.770 . 0 0 "[ . 1 . 2]" 1
681 1 49 SER H 1 49 SER HB2 . . 3.620 2.609 2.257 3.510 . 0 0 "[ . 1 . 2]" 1
682 1 49 SER H 1 49 SER HB3 . . 3.920 3.314 2.545 3.601 . 0 0 "[ . 1 . 2]" 1
683 1 49 SER H 1 50 SER H . . 3.870 2.968 2.731 3.244 . 0 0 "[ . 1 . 2]" 1
684 1 49 SER H 1 50 SER HA . . 5.450 5.207 4.851 5.513 0.063 15 0 "[ . 1 . 2]" 1
685 1 49 SER HB2 1 50 SER H . . 5.090 3.090 2.174 4.109 . 0 0 "[ . 1 . 2]" 1
686 1 49 SER HB3 1 50 SER H . . 5.090 3.739 2.680 4.191 . 0 0 "[ . 1 . 2]" 1
687 1 49 SER HB3 1 51 PRO HD2 . . 3.340 2.986 2.429 3.902 0.562 9 1 "[ . +1 . 2]" 1
688 1 49 SER HB3 1 51 PRO HG2 . . 5.500 4.097 2.352 5.368 . 0 0 "[ . 1 . 2]" 1
689 1 49 SER HB3 1 51 PRO HG3 . . 5.100 4.564 3.799 5.571 0.471 6 0 "[ . 1 . 2]" 1
690 1 50 SER H 1 51 PRO HA . . 5.500 4.890 4.552 5.397 . 0 0 "[ . 1 . 2]" 1
691 1 50 SER H 1 51 PRO HD2 . . 3.770 2.709 2.051 3.216 . 0 0 "[ . 1 . 2]" 1
692 1 50 SER H 1 51 PRO HD3 . . 5.500 3.874 3.111 4.420 . 0 0 "[ . 1 . 2]" 1
693 1 50 SER H 1 52 VAL HA . . 5.500 5.580 5.560 5.595 0.095 14 0 "[ . 1 . 2]" 1
694 1 50 SER H 1 52 VAL MG2 . . 5.010 4.573 4.030 4.896 . 0 0 "[ . 1 . 2]" 1
695 1 50 SER HA 1 51 PRO HD2 . . 3.920 3.996 3.900 4.128 0.208 15 0 "[ . 1 . 2]" 1
696 1 50 SER HB2 1 51 PRO HD3 . . 3.310 2.774 2.022 4.169 0.859 4 4 "[ +- * 1 . *2]" 1
697 1 50 SER HB3 1 51 PRO HD3 . . 5.500 3.023 2.008 4.158 . 0 0 "[ . 1 . 2]" 1
698 1 51 PRO HA 1 52 VAL MG1 . . 5.500 5.156 4.569 5.587 0.087 4 0 "[ . 1 . 2]" 1
699 1 51 PRO HA 1 52 VAL MG2 . . 5.500 5.329 5.013 5.625 0.125 13 0 "[ . 1 . 2]" 1
700 1 51 PRO HB2 1 52 VAL HB . . 5.500 5.418 4.867 5.579 0.079 6 0 "[ . 1 . 2]" 1
701 1 51 PRO HD2 1 52 VAL H . . 5.500 4.380 2.829 5.166 . 0 0 "[ . 1 . 2]" 1
702 1 51 PRO HD2 1 52 VAL HB . . 5.450 4.584 3.446 5.508 0.058 19 0 "[ . 1 . 2]" 1
703 1 51 PRO HG2 1 52 VAL HB . . 5.500 4.737 4.029 5.234 . 0 0 "[ . 1 . 2]" 1
704 1 52 VAL H 1 52 VAL HB . . 3.940 2.777 1.960 3.196 . 0 0 "[ . 1 . 2]" 1
705 1 52 VAL H 1 52 VAL MG1 . . 3.310 3.071 2.445 3.448 0.138 13 0 "[ . 1 . 2]" 1
706 1 52 VAL H 1 52 VAL MG2 . . 4.180 3.797 2.804 4.021 . 0 0 "[ . 1 . 2]" 1
707 1 52 VAL HA 1 52 VAL MG2 . . 3.690 2.161 2.069 2.262 . 0 0 "[ . 1 . 2]" 1
708 1 52 VAL HA 1 53 PRO HD2 . . 3.480 2.587 2.352 3.235 . 0 0 "[ . 1 . 2]" 1
709 1 52 VAL HA 1 53 PRO HD3 . . 3.220 2.203 2.087 2.305 . 0 0 "[ . 1 . 2]" 1
710 1 52 VAL HA 1 53 PRO QG . . 4.380 4.077 3.946 4.239 . 0 0 "[ . 1 . 2]" 1
711 1 52 VAL HA 1 56 VAL QG . . 4.620 3.618 3.176 3.990 . 0 0 "[ . 1 . 2]" 1
712 1 52 VAL HB 1 53 PRO HD2 . . 4.790 4.312 4.175 4.515 . 0 0 "[ . 1 . 2]" 1
713 1 52 VAL HB 1 53 PRO HD3 . . 4.670 4.745 4.585 4.764 0.094 18 0 "[ . 1 . 2]" 1
714 1 52 VAL HB 1 56 VAL QG . . 5.090 3.970 3.631 4.361 . 0 0 "[ . 1 . 2]" 1
715 1 52 VAL MG1 1 53 PRO HD2 . . 4.680 3.038 2.757 3.712 . 0 0 "[ . 1 . 2]" 1
716 1 52 VAL MG1 1 53 PRO HD3 . . 4.970 4.044 3.736 4.496 . 0 0 "[ . 1 . 2]" 1
717 1 52 VAL MG1 1 53 PRO QG . . 5.130 4.165 3.856 4.720 . 0 0 "[ . 1 . 2]" 1
718 1 52 VAL MG1 1 56 VAL H . . 5.390 4.206 3.695 4.727 . 0 0 "[ . 1 . 2]" 1
719 1 52 VAL MG1 1 56 VAL HA . . 5.500 5.210 4.547 5.590 0.090 3 0 "[ . 1 . 2]" 1
720 1 52 VAL MG1 1 56 VAL HB . . 5.010 3.861 2.184 4.724 . 0 0 "[ . 1 . 2]" 1
721 1 52 VAL MG1 1 56 VAL QG . . 3.910 2.371 1.917 3.354 . 0 0 "[ . 1 . 2]" 1
722 1 52 VAL MG1 1 57 PHE H . . 3.710 3.020 2.471 3.776 0.066 3 0 "[ . 1 . 2]" 1
723 1 52 VAL MG1 1 57 PHE HA . . 4.350 3.329 2.677 4.050 . 0 0 "[ . 1 . 2]" 1
724 1 52 VAL MG1 1 57 PHE HB2 . . 4.100 2.511 2.196 3.191 . 0 0 "[ . 1 . 2]" 1
725 1 52 VAL MG1 1 57 PHE HB3 . . 4.390 3.687 3.187 4.485 0.095 3 0 "[ . 1 . 2]" 1
726 1 52 VAL MG1 1 57 PHE QD . . 5.420 3.297 2.742 3.863 . 0 0 "[ . 1 . 2]" 1
727 1 52 VAL MG2 1 53 PRO HD2 . . 4.090 2.151 2.017 2.351 . 0 0 "[ . 1 . 2]" 1
728 1 52 VAL MG2 1 53 PRO HD3 . . 4.550 3.084 2.472 3.253 . 0 0 "[ . 1 . 2]" 1
729 1 52 VAL MG2 1 56 VAL QG . . 2.640 1.985 1.808 2.140 . 0 0 "[ . 1 . 2]" 1
730 1 52 VAL MG2 1 57 PHE H . . 4.940 4.457 3.728 4.949 0.009 18 0 "[ . 1 . 2]" 1
731 1 52 VAL MG2 1 57 PHE QD . . 5.500 5.382 5.010 5.600 0.100 3 0 "[ . 1 . 2]" 1
732 1 53 PRO HA 1 55 ASP H . . 5.500 4.211 3.836 4.472 . 0 0 "[ . 1 . 2]" 1
733 1 53 PRO HB2 1 54 GLN H . . 4.370 2.955 2.397 3.575 . 0 0 "[ . 1 . 2]" 1
734 1 53 PRO HB2 1 55 ASP H . . 4.270 2.534 2.261 2.773 . 0 0 "[ . 1 . 2]" 1
735 1 53 PRO HB2 1 55 ASP HB3 . . 5.500 3.994 2.607 4.949 . 0 0 "[ . 1 . 2]" 1
736 1 53 PRO HB2 1 56 VAL H . . 5.500 3.195 1.909 3.847 . 0 0 "[ . 1 . 2]" 1
737 1 53 PRO HB2 1 56 VAL QG . . 4.620 3.596 2.319 4.244 . 0 0 "[ . 1 . 2]" 1
738 1 53 PRO HB3 1 54 GLN H . . 4.520 3.545 2.852 3.961 . 0 0 "[ . 1 . 2]" 1
739 1 53 PRO HB3 1 55 ASP H . . 4.250 4.002 3.140 4.332 0.082 16 0 "[ . 1 . 2]" 1
740 1 53 PRO HB3 1 56 VAL QG . . 4.470 4.295 3.675 4.617 0.147 10 0 "[ . 1 . 2]" 1
741 1 53 PRO HD2 1 56 VAL H . . 5.500 3.772 3.104 4.226 . 0 0 "[ . 1 . 2]" 1
742 1 53 PRO HD2 1 56 VAL HB . . 3.640 3.244 2.180 3.747 0.107 11 0 "[ . 1 . 2]" 1
743 1 53 PRO HD2 1 56 VAL QG . . 4.070 1.979 1.753 2.300 . 0 0 "[ . 1 . 2]" 1
744 1 53 PRO HD3 1 56 VAL QG . . 4.500 3.241 2.756 3.637 . 0 0 "[ . 1 . 2]" 1
745 1 53 PRO QG 1 56 VAL H . . 3.870 2.584 1.861 3.293 . 0 0 "[ . 1 . 2]" 1
746 1 53 PRO QG 1 56 VAL QG . . 3.600 2.182 1.858 2.494 . 0 0 "[ . 1 . 2]" 1
747 1 53 PRO QG 1 57 PHE H . . 4.710 4.340 3.762 4.815 0.105 6 0 "[ . 1 . 2]" 1
748 1 54 GLN H 1 54 GLN QB . . 3.700 2.244 2.109 2.482 . 0 0 "[ . 1 . 2]" 1
749 1 54 GLN H 1 54 GLN QG . . 5.110 3.457 2.533 4.075 . 0 0 "[ . 1 . 2]" 1
750 1 54 GLN H 1 55 ASP H . . 3.170 2.733 2.293 3.040 . 0 0 "[ . 1 . 2]" 1
751 1 54 GLN H 1 56 VAL H . . 5.400 4.629 4.314 4.884 . 0 0 "[ . 1 . 2]" 1
752 1 54 GLN HA 1 57 PHE HB3 . . 3.970 2.292 1.988 2.895 . 0 0 "[ . 1 . 2]" 1
753 1 54 GLN QB 1 55 ASP H . . 4.880 3.200 2.522 3.834 . 0 0 "[ . 1 . 2]" 1
754 1 54 GLN QB 1 56 VAL H . . 5.500 5.226 4.809 5.560 0.060 20 0 "[ . 1 . 2]" 1
755 1 54 GLN QB 1 57 PHE H . . 4.820 4.870 4.646 4.917 0.097 4 0 "[ . 1 . 2]" 1
756 1 54 GLN QB 1 57 PHE HB3 . . 5.020 3.972 3.300 4.418 . 0 0 "[ . 1 . 2]" 1
757 1 54 GLN QB 1 58 VAL H . . 5.500 4.630 3.719 5.095 . 0 0 "[ . 1 . 2]" 1
758 1 54 GLN QB 1 58 VAL QG . . 4.840 3.468 2.116 4.241 . 0 0 "[ . 1 . 2]" 1
759 1 54 GLN QB 1 110 TYR QE . . 5.500 2.884 2.384 3.564 . 0 0 "[ . 1 . 2]" 1
760 1 54 GLN HE21 1 55 ASP H . . 5.500 4.549 3.417 5.577 0.077 17 0 "[ . 1 . 2]" 1
761 1 54 GLN HE21 1 57 PHE QD . . 4.460 4.468 3.936 4.559 0.099 15 0 "[ . 1 . 2]" 1
762 1 54 GLN HE21 1 58 VAL QG . . 4.060 2.428 1.973 3.049 . 0 0 "[ . 1 . 2]" 1
763 1 54 GLN HE21 1 107 VAL MG1 . . 4.700 3.841 2.506 4.772 0.072 14 0 "[ . 1 . 2]" 1
764 1 54 GLN HE21 1 107 VAL MG2 . . 4.770 3.722 2.748 4.694 . 0 0 "[ . 1 . 2]" 1
765 1 54 GLN HE22 1 58 VAL QG . . 4.130 2.746 1.869 4.124 . 0 0 "[ . 1 . 2]" 1
766 1 54 GLN HE22 1 107 VAL MG1 . . 4.470 3.219 1.977 4.535 0.065 5 0 "[ . 1 . 2]" 1
767 1 54 GLN HE22 1 107 VAL MG2 . . 5.050 3.083 1.997 3.939 . 0 0 "[ . 1 . 2]" 1
768 1 54 GLN QG 1 55 ASP H . . 5.500 3.269 2.300 4.408 . 0 0 "[ . 1 . 2]" 1
769 1 54 GLN QG 1 55 ASP HA . . 5.500 3.721 2.797 4.799 . 0 0 "[ . 1 . 2]" 1
770 1 54 GLN QG 1 58 VAL HB . . 5.430 4.415 3.579 5.073 . 0 0 "[ . 1 . 2]" 1
771 1 54 GLN QG 1 58 VAL QG . . 3.940 2.911 2.248 3.686 . 0 0 "[ . 1 . 2]" 1
772 1 54 GLN QG 1 107 VAL MG1 . . 4.400 3.933 3.618 4.223 . 0 0 "[ . 1 . 2]" 1
773 1 54 GLN QG 1 107 VAL MG2 . . 5.330 4.321 3.734 4.828 . 0 0 "[ . 1 . 2]" 1
774 1 55 ASP H 1 55 ASP HB3 . . 3.630 3.099 2.330 3.651 0.021 17 0 "[ . 1 . 2]" 1
775 1 55 ASP H 1 56 VAL H . . 3.380 2.865 2.580 3.001 . 0 0 "[ . 1 . 2]" 1
776 1 55 ASP H 1 56 VAL QG . . 4.820 4.188 3.670 4.584 . 0 0 "[ . 1 . 2]" 1
777 1 55 ASP H 1 57 PHE H . . 5.320 4.065 3.824 4.259 . 0 0 "[ . 1 . 2]" 1
778 1 55 ASP HA 1 58 VAL H . . 4.600 3.743 3.247 4.254 . 0 0 "[ . 1 . 2]" 1
779 1 55 ASP HA 1 58 VAL HB . . 4.460 3.413 2.779 4.556 0.096 18 0 "[ . 1 . 2]" 1
780 1 55 ASP HA 1 58 VAL QG . . 4.560 3.435 1.931 3.961 . 0 0 "[ . 1 . 2]" 1
781 1 55 ASP HA 1 59 ALA H . . 4.310 3.989 3.719 4.362 0.052 1 0 "[ . 1 . 2]" 1
782 1 55 ASP HA 1 59 ALA MB . . 4.320 4.335 4.125 4.412 0.092 3 0 "[ . 1 . 2]" 1
783 1 55 ASP HB2 1 56 VAL H . . 5.400 3.465 2.372 3.999 . 0 0 "[ . 1 . 2]" 1
784 1 55 ASP HB3 1 56 VAL H . . 4.270 2.982 2.435 3.709 . 0 0 "[ . 1 . 2]" 1
785 1 56 VAL H 1 56 VAL HB . . 3.640 2.636 2.359 3.695 0.055 11 0 "[ . 1 . 2]" 1
786 1 56 VAL H 1 56 VAL QG . . 3.460 2.226 1.877 2.552 . 0 0 "[ . 1 . 2]" 1
787 1 56 VAL H 1 57 PHE H . . 3.340 2.548 2.362 2.723 . 0 0 "[ . 1 . 2]" 1
788 1 56 VAL H 1 57 PHE HB3 . . 5.500 4.668 4.395 5.008 . 0 0 "[ . 1 . 2]" 1
789 1 56 VAL H 1 58 VAL H . . 5.060 4.333 4.113 4.568 . 0 0 "[ . 1 . 2]" 1
790 1 56 VAL H 1 59 ALA H . . 5.500 4.642 4.487 4.813 . 0 0 "[ . 1 . 2]" 1
791 1 56 VAL H 1 59 ALA MB . . 5.500 4.601 4.373 4.909 . 0 0 "[ . 1 . 2]" 1
792 1 56 VAL HA 1 56 VAL QG . . 3.180 2.279 2.160 2.529 . 0 0 "[ . 1 . 2]" 1
793 1 56 VAL HA 1 59 ALA H . . 4.400 3.353 2.983 3.916 . 0 0 "[ . 1 . 2]" 1
794 1 56 VAL HA 1 59 ALA MB . . 3.810 2.459 2.048 3.077 . 0 0 "[ . 1 . 2]" 1
795 1 56 VAL HA 1 60 ASP H . . 5.190 3.632 3.178 4.201 . 0 0 "[ . 1 . 2]" 1
796 1 56 VAL HB 1 57 PHE H . . 4.460 3.527 2.329 4.151 . 0 0 "[ . 1 . 2]" 1
797 1 56 VAL HB 1 59 ALA MB . . 5.500 4.724 4.147 5.550 0.050 16 0 "[ . 1 . 2]" 1
798 1 56 VAL QG 1 57 PHE H . . 4.260 2.652 2.101 3.351 . 0 0 "[ . 1 . 2]" 1
799 1 56 VAL QG 1 57 PHE HA . . 5.250 3.225 2.749 3.735 . 0 0 "[ . 1 . 2]" 1
800 1 56 VAL QG 1 59 ALA MB . . 5.030 3.473 2.986 4.031 . 0 0 "[ . 1 . 2]" 1
801 1 56 VAL QG 1 60 ASP H . . 5.000 3.695 3.236 4.433 . 0 0 "[ . 1 . 2]" 1
802 1 56 VAL QG 1 60 ASP QB . . 4.720 3.156 2.595 4.333 . 0 0 "[ . 1 . 2]" 1
803 1 57 PHE H 1 57 PHE HB3 . . 3.620 2.418 2.254 2.670 . 0 0 "[ . 1 . 2]" 1
804 1 57 PHE H 1 57 PHE QD . . 4.230 4.203 4.067 4.278 0.048 19 0 "[ . 1 . 2]" 1
805 1 57 PHE H 1 58 VAL H . . 3.790 2.817 2.589 2.954 . 0 0 "[ . 1 . 2]" 1
806 1 57 PHE H 1 58 VAL HB . . 5.500 5.009 4.605 5.581 0.081 13 0 "[ . 1 . 2]" 1
807 1 57 PHE H 1 59 ALA H . . 5.280 4.142 3.958 4.368 . 0 0 "[ . 1 . 2]" 1
808 1 57 PHE HA 1 59 ALA H . . 5.500 4.646 4.465 4.852 . 0 0 "[ . 1 . 2]" 1
809 1 57 PHE HA 1 60 ASP H . . 5.490 3.908 3.487 4.178 . 0 0 "[ . 1 . 2]" 1
810 1 57 PHE HA 1 60 ASP QB . . 5.500 3.261 2.626 3.912 . 0 0 "[ . 1 . 2]" 1
811 1 57 PHE HA 1 61 CYS H . . 5.500 4.008 3.770 4.285 . 0 0 "[ . 1 . 2]" 1
812 1 57 PHE HB2 1 58 VAL H . . 4.010 3.895 3.764 4.058 0.048 2 0 "[ . 1 . 2]" 1
813 1 57 PHE HB2 1 110 TYR QD . . 5.500 4.686 3.973 5.579 0.079 20 0 "[ . 1 . 2]" 1
814 1 57 PHE HB3 1 58 VAL H . . 3.610 2.522 2.367 2.724 . 0 0 "[ . 1 . 2]" 1
815 1 57 PHE HB3 1 58 VAL QG . . 4.480 3.245 2.907 3.756 . 0 0 "[ . 1 . 2]" 1
816 1 57 PHE HB3 1 59 ALA H . . 5.270 5.030 4.800 5.171 . 0 0 "[ . 1 . 2]" 1
817 1 57 PHE HB3 1 110 TYR QE . . 5.500 3.845 2.867 5.562 0.062 20 0 "[ . 1 . 2]" 1
818 1 57 PHE QD 1 58 VAL H . . 4.200 2.949 2.701 3.281 . 0 0 "[ . 1 . 2]" 1
819 1 57 PHE QD 1 58 VAL HA . . 4.290 3.075 2.623 4.000 . 0 0 "[ . 1 . 2]" 1
820 1 57 PHE QD 1 58 VAL QG . . 4.270 2.444 2.118 3.397 . 0 0 "[ . 1 . 2]" 1
821 1 57 PHE QD 1 61 CYS H . . 5.500 5.018 4.618 5.331 . 0 0 "[ . 1 . 2]" 1
822 1 57 PHE QD 1 110 TYR H . . 5.500 5.067 4.422 5.565 0.065 14 0 "[ . 1 . 2]" 1
823 1 57 PHE QD 1 110 TYR QD . . 5.500 3.184 2.626 4.181 . 0 0 "[ . 1 . 2]" 1
824 1 57 PHE QD 1 110 TYR QE . . 5.500 3.954 3.019 5.394 . 0 0 "[ . 1 . 2]" 1
825 1 57 PHE QE 1 109 GLN H . . 5.500 5.151 4.410 5.593 0.093 5 0 "[ . 1 . 2]" 1
826 1 57 PHE QE 1 110 TYR H . . 5.500 3.785 2.755 4.477 . 0 0 "[ . 1 . 2]" 1
827 1 57 PHE QE 1 110 TYR HA . . 4.920 4.311 3.294 4.997 0.077 16 0 "[ . 1 . 2]" 1
828 1 58 VAL H 1 58 VAL HB . . 3.280 2.469 2.276 2.954 . 0 0 "[ . 1 . 2]" 1
829 1 58 VAL H 1 58 VAL QG . . 3.300 2.193 1.912 2.368 . 0 0 "[ . 1 . 2]" 1
830 1 58 VAL H 1 59 ALA H . . 3.710 2.749 2.667 2.872 . 0 0 "[ . 1 . 2]" 1
831 1 58 VAL H 1 59 ALA MB . . 5.430 4.438 4.358 4.543 . 0 0 "[ . 1 . 2]" 1
832 1 58 VAL H 1 60 ASP H . . 5.190 4.415 4.259 4.566 . 0 0 "[ . 1 . 2]" 1
833 1 58 VAL HA 1 61 CYS H . . 4.100 3.583 3.342 3.774 . 0 0 "[ . 1 . 2]" 1
834 1 58 VAL HA 1 61 CYS HB2 . . 4.770 3.428 3.132 3.622 . 0 0 "[ . 1 . 2]" 1
835 1 58 VAL HA 1 61 CYS HB3 . . 3.850 2.305 2.114 2.494 . 0 0 "[ . 1 . 2]" 1
836 1 58 VAL HA 1 62 PHE H . . 4.280 3.842 3.637 4.032 . 0 0 "[ . 1 . 2]" 1
837 1 58 VAL HA 1 106 CYS HA . . 5.500 4.681 4.388 5.043 . 0 0 "[ . 1 . 2]" 1
838 1 58 VAL HA 1 106 CYS QB . . 3.650 2.155 1.946 2.373 . 0 0 "[ . 1 . 2]" 1
839 1 58 VAL HA 1 107 VAL HA . . 5.380 5.386 5.123 5.462 0.082 19 0 "[ . 1 . 2]" 1
840 1 58 VAL HB 1 59 ALA H . . 4.180 3.005 2.584 4.261 0.081 8 0 "[ . 1 . 2]" 1
841 1 58 VAL HB 1 107 VAL MG1 . . 5.500 5.312 4.475 5.573 0.073 17 0 "[ . 1 . 2]" 1
842 1 58 VAL QG 1 59 ALA H . . 4.220 3.120 2.387 3.387 . 0 0 "[ . 1 . 2]" 1
843 1 58 VAL QG 1 59 ALA HA . . 4.950 3.296 3.119 3.474 . 0 0 "[ . 1 . 2]" 1
844 1 58 VAL QG 1 59 ALA MB . . 4.720 3.725 3.212 3.925 . 0 0 "[ . 1 . 2]" 1
845 1 58 VAL QG 1 61 CYS H . . 5.500 4.497 4.309 4.616 . 0 0 "[ . 1 . 2]" 1
846 1 58 VAL QG 1 61 CYS HB2 . . 5.070 4.502 4.304 4.706 . 0 0 "[ . 1 . 2]" 1
847 1 58 VAL QG 1 62 PHE H . . 4.630 3.876 3.613 4.046 . 0 0 "[ . 1 . 2]" 1
848 1 58 VAL QG 1 62 PHE HB2 . . 4.550 3.702 3.364 3.910 . 0 0 "[ . 1 . 2]" 1
849 1 58 VAL QG 1 103 ARG HA . . 4.230 2.409 2.218 2.740 . 0 0 "[ . 1 . 2]" 1
850 1 58 VAL QG 1 103 ARG HB2 . . 5.230 4.090 3.779 4.423 . 0 0 "[ . 1 . 2]" 1
851 1 58 VAL QG 1 103 ARG HB3 . . 5.360 2.957 2.531 3.359 . 0 0 "[ . 1 . 2]" 1
852 1 58 VAL QG 1 103 ARG QD . . 4.450 3.941 3.491 4.374 . 0 0 "[ . 1 . 2]" 1
853 1 58 VAL QG 1 103 ARG HG2 . . 4.000 2.467 2.118 3.229 . 0 0 "[ . 1 . 2]" 1
854 1 58 VAL QG 1 103 ARG HG3 . . 4.620 3.074 2.293 3.864 . 0 0 "[ . 1 . 2]" 1
855 1 58 VAL QG 1 106 CYS QB . . 4.010 1.869 1.755 2.006 . 0 0 "[ . 1 . 2]" 1
856 1 58 VAL QG 1 107 VAL H . . 5.500 2.917 2.637 3.265 . 0 0 "[ . 1 . 2]" 1
857 1 58 VAL QG 1 107 VAL HA . . 3.740 2.641 2.343 3.371 . 0 0 "[ . 1 . 2]" 1
858 1 58 VAL QG 1 107 VAL HB . . 5.250 3.912 3.761 4.116 . 0 0 "[ . 1 . 2]" 1
859 1 58 VAL QG 1 107 VAL MG1 . . 3.420 3.184 2.906 3.369 . 0 0 "[ . 1 . 2]" 1
860 1 58 VAL QG 1 107 VAL MG2 . . 2.810 1.870 1.786 1.970 . 0 0 "[ . 1 . 2]" 1
861 1 58 VAL QG 1 110 TYR H . . 5.500 4.448 4.062 5.202 . 0 0 "[ . 1 . 2]" 1
862 1 58 VAL QG 1 110 TYR HB2 . . 5.120 3.518 3.110 4.385 . 0 0 "[ . 1 . 2]" 1
863 1 58 VAL QG 1 110 TYR HB3 . . 4.450 3.917 3.551 4.576 0.126 18 0 "[ . 1 . 2]" 1
864 1 59 ALA H 1 60 ASP H . . 3.300 2.785 2.585 2.896 . 0 0 "[ . 1 . 2]" 1
865 1 59 ALA H 1 60 ASP QB . . 5.080 4.602 4.283 4.946 . 0 0 "[ . 1 . 2]" 1
866 1 59 ALA H 1 61 CYS H . . 5.250 4.107 3.960 4.311 . 0 0 "[ . 1 . 2]" 1
867 1 59 ALA H 1 62 PHE H . . 5.500 4.666 4.557 4.775 . 0 0 "[ . 1 . 2]" 1
868 1 59 ALA HA 1 62 PHE H . . 4.380 3.535 3.318 3.728 . 0 0 "[ . 1 . 2]" 1
869 1 59 ALA HA 1 62 PHE HB2 . . 4.960 4.167 3.852 4.443 . 0 0 "[ . 1 . 2]" 1
870 1 59 ALA HA 1 62 PHE HB3 . . 4.450 2.619 2.342 2.927 . 0 0 "[ . 1 . 2]" 1
871 1 59 ALA HA 1 63 ASN H . . 4.770 4.006 3.813 4.190 . 0 0 "[ . 1 . 2]" 1
872 1 59 ALA MB 1 60 ASP H . . 3.350 2.608 2.444 2.844 . 0 0 "[ . 1 . 2]" 1
873 1 59 ALA MB 1 60 ASP HA . . 5.220 3.962 3.849 4.136 . 0 0 "[ . 1 . 2]" 1
874 1 59 ALA MB 1 61 CYS H . . 5.500 4.531 4.375 4.734 . 0 0 "[ . 1 . 2]" 1
875 1 59 ALA MB 1 63 ASN H . . 5.500 4.513 4.291 4.788 . 0 0 "[ . 1 . 2]" 1
876 1 59 ALA MB 1 63 ASN HD21 . . 5.500 4.000 3.129 5.566 0.066 17 0 "[ . 1 . 2]" 1
877 1 59 ALA MB 1 103 ARG HG2 . . 4.720 4.725 4.409 4.813 0.093 4 0 "[ . 1 . 2]" 1
878 1 59 ALA MB 1 103 ARG HG3 . . 5.460 5.244 4.841 5.555 0.095 16 0 "[ . 1 . 2]" 1
879 1 60 ASP H 1 60 ASP QB . . 3.180 2.229 2.132 2.430 . 0 0 "[ . 1 . 2]" 1
880 1 60 ASP H 1 61 CYS H . . 3.410 2.553 2.414 2.661 . 0 0 "[ . 1 . 2]" 1
881 1 60 ASP H 1 61 CYS HB3 . . 5.500 4.416 4.137 4.567 . 0 0 "[ . 1 . 2]" 1
882 1 60 ASP H 1 62 PHE H . . 5.070 4.055 3.845 4.186 . 0 0 "[ . 1 . 2]" 1
883 1 60 ASP H 1 63 ASN HD21 . . 4.890 4.705 4.262 4.957 0.067 16 0 "[ . 1 . 2]" 1
884 1 60 ASP HA 1 62 PHE H . . 5.430 4.357 4.035 4.537 . 0 0 "[ . 1 . 2]" 1
885 1 60 ASP HA 1 63 ASN H . . 4.090 3.161 2.915 3.290 . 0 0 "[ . 1 . 2]" 1
886 1 60 ASP HA 1 63 ASN HA . . 5.040 5.061 4.752 5.128 0.088 4 0 "[ . 1 . 2]" 1
887 1 60 ASP HA 1 63 ASN QB . . 3.950 2.285 2.137 2.456 . 0 0 "[ . 1 . 2]" 1
888 1 60 ASP HA 1 63 ASN HD21 . . 4.510 2.691 2.038 3.226 . 0 0 "[ . 1 . 2]" 1
889 1 60 ASP HA 1 64 ILE H . . 4.520 3.832 3.585 3.959 . 0 0 "[ . 1 . 2]" 1
890 1 60 ASP HA 1 64 ILE MD . . 5.500 3.975 3.255 4.338 . 0 0 "[ . 1 . 2]" 1
891 1 60 ASP QB 1 61 CYS H . . 3.160 2.684 2.382 3.030 . 0 0 "[ . 1 . 2]" 1
892 1 60 ASP QB 1 63 ASN QB . . 5.090 4.144 3.776 4.426 . 0 0 "[ . 1 . 2]" 1
893 1 60 ASP QB 1 64 ILE MD . . 4.250 3.247 2.502 4.051 . 0 0 "[ . 1 . 2]" 1
894 1 61 CYS H 1 61 CYS HB2 . . 4.070 2.543 2.366 2.752 . 0 0 "[ . 1 . 2]" 1
895 1 61 CYS H 1 61 CYS HB3 . . 3.340 2.258 2.153 2.351 . 0 0 "[ . 1 . 2]" 1
896 1 61 CYS H 1 62 PHE H . . 3.670 2.647 2.554 2.727 . 0 0 "[ . 1 . 2]" 1
897 1 61 CYS H 1 62 PHE HB2 . . 5.500 5.572 5.549 5.581 0.081 4 0 "[ . 1 . 2]" 1
898 1 61 CYS H 1 63 ASN QB . . 5.320 4.910 4.773 5.022 . 0 0 "[ . 1 . 2]" 1
899 1 61 CYS HA 1 64 ILE HB . . 4.400 3.200 2.774 3.708 . 0 0 "[ . 1 . 2]" 1
900 1 61 CYS HA 1 64 ILE MD . . 4.440 3.414 2.720 3.940 . 0 0 "[ . 1 . 2]" 1
901 1 61 CYS HA 1 64 ILE MG . . 4.930 4.214 3.680 4.577 . 0 0 "[ . 1 . 2]" 1
902 1 61 CYS HA 1 65 THR H . . 4.740 4.067 3.894 4.238 . 0 0 "[ . 1 . 2]" 1
903 1 61 CYS HB2 1 62 PHE H . . 4.350 3.853 3.745 3.958 . 0 0 "[ . 1 . 2]" 1
904 1 61 CYS HB2 1 106 CYS QB . . 5.500 3.568 3.283 4.082 . 0 0 "[ . 1 . 2]" 1
905 1 61 CYS HB3 1 62 PHE H . . 4.380 2.488 2.328 2.680 . 0 0 "[ . 1 . 2]" 1
906 1 61 CYS HB3 1 63 ASN H . . 5.500 5.047 4.902 5.215 . 0 0 "[ . 1 . 2]" 1
907 1 61 CYS HB3 1 106 CYS QB . . 3.900 2.749 2.495 3.076 . 0 0 "[ . 1 . 2]" 1
908 1 62 PHE H 1 62 PHE HB2 . . 3.440 2.979 2.884 3.109 . 0 0 "[ . 1 . 2]" 1
909 1 62 PHE H 1 62 PHE HB3 . . 2.950 2.143 2.078 2.219 . 0 0 "[ . 1 . 2]" 1
910 1 62 PHE H 1 62 PHE QD . . 5.420 3.850 3.776 3.934 . 0 0 "[ . 1 . 2]" 1
911 1 62 PHE H 1 63 ASN H . . 3.790 2.754 2.655 2.864 . 0 0 "[ . 1 . 2]" 1
912 1 62 PHE H 1 63 ASN HA . . 5.280 5.315 5.264 5.345 0.065 5 0 "[ . 1 . 2]" 1
913 1 62 PHE H 1 63 ASN QB . . 4.640 4.563 4.537 4.576 . 0 0 "[ . 1 . 2]" 1
914 1 62 PHE H 1 102 ILE MG . . 5.500 3.941 3.811 4.090 . 0 0 "[ . 1 . 2]" 1
915 1 62 PHE HA 1 65 THR H . . 3.770 3.518 3.340 3.611 . 0 0 "[ . 1 . 2]" 1
916 1 62 PHE HA 1 65 THR HA . . 5.500 5.485 5.348 5.566 0.066 5 0 "[ . 1 . 2]" 1
917 1 62 PHE HA 1 65 THR HB . . 4.500 2.763 2.645 2.924 . 0 0 "[ . 1 . 2]" 1
918 1 62 PHE HA 1 66 VAL H . . 5.500 3.844 3.703 4.082 . 0 0 "[ . 1 . 2]" 1
919 1 62 PHE HA 1 66 VAL QG . . 4.600 3.611 3.248 4.372 . 0 0 "[ . 1 . 2]" 1
920 1 62 PHE HA 1 102 ILE MD . . 4.580 4.213 4.018 4.687 0.107 6 0 "[ . 1 . 2]" 1
921 1 62 PHE HA 1 102 ILE MG . . 3.800 1.877 1.838 1.920 . 0 0 "[ . 1 . 2]" 1
922 1 62 PHE HA 1 103 ARG HA . . 5.110 4.524 4.224 4.764 . 0 0 "[ . 1 . 2]" 1
923 1 62 PHE HB2 1 63 ASN H . . 4.360 4.094 4.013 4.255 . 0 0 "[ . 1 . 2]" 1
924 1 62 PHE HB2 1 102 ILE H . . 5.500 5.564 5.355 5.587 0.087 5 0 "[ . 1 . 2]" 1
925 1 62 PHE HB2 1 102 ILE MG . . 4.590 2.259 2.099 2.596 . 0 0 "[ . 1 . 2]" 1
926 1 62 PHE HB2 1 103 ARG HA . . 4.520 2.810 2.365 3.370 . 0 0 "[ . 1 . 2]" 1
927 1 62 PHE HB2 1 103 ARG QD . . 4.110 3.496 2.444 4.189 0.079 17 0 "[ . 1 . 2]" 1
928 1 62 PHE HB3 1 63 ASN H . . 3.470 2.880 2.749 3.047 . 0 0 "[ . 1 . 2]" 1
929 1 62 PHE HB3 1 102 ILE MG . . 5.380 3.660 3.525 3.875 . 0 0 "[ . 1 . 2]" 1
930 1 62 PHE HB3 1 103 ARG QD . . 4.770 3.929 2.972 4.844 0.074 17 0 "[ . 1 . 2]" 1
931 1 62 PHE QD 1 63 ASN H . . 5.230 2.784 2.609 3.152 . 0 0 "[ . 1 . 2]" 1
932 1 62 PHE QD 1 63 ASN HA . . 5.500 3.660 3.299 4.020 . 0 0 "[ . 1 . 2]" 1
933 1 62 PHE QD 1 66 VAL QG . . 5.500 2.516 2.236 2.948 . 0 0 "[ . 1 . 2]" 1
934 1 62 PHE QD 1 98 VAL QG . . 5.500 4.689 4.335 4.948 . 0 0 "[ . 1 . 2]" 1
935 1 62 PHE QD 1 99 THR H . . 5.500 5.462 4.783 5.588 0.088 8 0 "[ . 1 . 2]" 1
936 1 62 PHE QD 1 99 THR HA . . 5.310 2.743 2.466 2.891 . 0 0 "[ . 1 . 2]" 1
937 1 62 PHE QD 1 102 ILE HB . . 4.180 2.495 2.077 2.706 . 0 0 "[ . 1 . 2]" 1
938 1 62 PHE QD 1 102 ILE MG . . 4.530 2.277 2.175 2.458 . 0 0 "[ . 1 . 2]" 1
939 1 62 PHE QD 1 103 ARG HA . . 4.630 4.503 4.168 4.725 0.095 9 0 "[ . 1 . 2]" 1
940 1 62 PHE QD 1 103 ARG HE . . 4.740 3.538 2.463 4.821 0.081 3 0 "[ . 1 . 2]" 1
941 1 62 PHE QE 1 66 VAL QG . . 4.960 2.077 1.929 2.246 . 0 0 "[ . 1 . 2]" 1
942 1 62 PHE QE 1 99 THR H . . 4.230 4.228 3.558 4.322 0.092 4 0 "[ . 1 . 2]" 1
943 1 62 PHE QE 1 99 THR HA . . 4.360 2.155 2.012 2.327 . 0 0 "[ . 1 . 2]" 1
944 1 62 PHE QE 1 99 THR HB . . 5.500 2.973 2.371 3.958 . 0 0 "[ . 1 . 2]" 1
945 1 62 PHE QE 1 99 THR MG . . 4.440 2.202 2.076 2.432 . 0 0 "[ . 1 . 2]" 1
946 1 62 PHE QE 1 102 ILE HB . . 5.160 4.097 3.787 4.303 . 0 0 "[ . 1 . 2]" 1
947 1 62 PHE QE 1 102 ILE MG . . 5.120 4.064 3.953 4.278 . 0 0 "[ . 1 . 2]" 1
948 1 62 PHE HZ 1 66 VAL QG . . 4.240 3.008 2.454 3.432 . 0 0 "[ . 1 . 2]" 1
949 1 62 PHE HZ 1 99 THR HA . . 5.230 4.362 4.019 4.530 . 0 0 "[ . 1 . 2]" 1
950 1 62 PHE HZ 1 99 THR HB . . 5.500 3.790 3.218 5.038 . 0 0 "[ . 1 . 2]" 1
951 1 62 PHE HZ 1 99 THR MG . . 4.300 2.450 2.178 2.936 . 0 0 "[ . 1 . 2]" 1
952 1 63 ASN H 1 63 ASN QB . . 3.060 2.265 2.059 2.488 . 0 0 "[ . 1 . 2]" 1
953 1 63 ASN H 1 63 ASN HD21 . . 4.240 3.430 2.515 4.063 . 0 0 "[ . 1 . 2]" 1
954 1 63 ASN H 1 63 ASN HD22 . . 4.610 4.479 4.097 4.688 0.078 17 0 "[ . 1 . 2]" 1
955 1 63 ASN H 1 64 ILE H . . 3.510 2.921 2.752 3.080 . 0 0 "[ . 1 . 2]" 1
956 1 63 ASN H 1 65 THR H . . 5.460 4.380 4.266 4.545 . 0 0 "[ . 1 . 2]" 1
957 1 63 ASN HA 1 65 THR H . . 5.500 4.728 4.622 4.879 . 0 0 "[ . 1 . 2]" 1
958 1 63 ASN HA 1 66 VAL HB . . 4.970 4.502 2.776 5.056 0.086 4 0 "[ . 1 . 2]" 1
959 1 63 ASN HA 1 66 VAL QG . . 3.650 2.354 2.020 3.318 . 0 0 "[ . 1 . 2]" 1
960 1 63 ASN HA 1 67 THR H . . 4.600 4.125 3.910 4.353 . 0 0 "[ . 1 . 2]" 1
961 1 63 ASN HA 1 67 THR HB . . 5.500 4.987 4.535 5.509 0.009 4 0 "[ . 1 . 2]" 1
962 1 63 ASN QB 1 64 ILE H . . 4.280 2.721 2.291 3.313 . 0 0 "[ . 1 . 2]" 1
963 1 64 ILE H 1 64 ILE HB . . 3.290 2.211 2.067 2.363 . 0 0 "[ . 1 . 2]" 1
964 1 64 ILE H 1 64 ILE MD . . 4.130 3.185 2.593 3.497 . 0 0 "[ . 1 . 2]" 1
965 1 64 ILE H 1 64 ILE HG13 . . 3.870 2.588 2.238 3.263 . 0 0 "[ . 1 . 2]" 1
966 1 64 ILE H 1 64 ILE MG . . 4.750 3.694 3.572 3.770 . 0 0 "[ . 1 . 2]" 1
967 1 64 ILE H 1 65 THR H . . 3.630 2.747 2.607 2.852 . 0 0 "[ . 1 . 2]" 1
968 1 64 ILE H 1 66 VAL H . . 4.840 4.268 4.021 4.409 . 0 0 "[ . 1 . 2]" 1
969 1 64 ILE HA 1 64 ILE MD . . 4.100 3.758 3.434 3.865 . 0 0 "[ . 1 . 2]" 1
970 1 64 ILE HA 1 64 ILE HG13 . . 3.990 2.507 2.090 2.714 . 0 0 "[ . 1 . 2]" 1
971 1 64 ILE HA 1 67 THR H . . 4.620 3.318 2.976 3.518 . 0 0 "[ . 1 . 2]" 1
972 1 64 ILE HA 1 67 THR HA . . 5.500 5.125 4.898 5.315 . 0 0 "[ . 1 . 2]" 1
973 1 64 ILE HA 1 67 THR HB . . 3.710 2.269 2.040 3.273 . 0 0 "[ . 1 . 2]" 1
974 1 64 ILE HA 1 67 THR MG . . 4.930 3.016 2.147 3.240 . 0 0 "[ . 1 . 2]" 1
975 1 64 ILE HB 1 65 THR H . . 3.820 2.762 2.536 3.027 . 0 0 "[ . 1 . 2]" 1
976 1 64 ILE HB 1 67 THR MG . . 5.500 5.434 4.640 5.623 0.123 5 0 "[ . 1 . 2]" 1
977 1 64 ILE MD 1 64 ILE MG . . 2.600 2.207 2.074 2.700 0.100 13 0 "[ . 1 . 2]" 1
978 1 64 ILE MD 1 65 THR H . . 5.310 4.581 4.337 4.875 . 0 0 "[ . 1 . 2]" 1
979 1 64 ILE MD 1 67 THR HB . . 5.500 5.520 5.285 5.618 0.118 14 0 "[ . 1 . 2]" 1
980 1 64 ILE HG12 1 67 THR MG . . 4.510 4.069 3.171 4.437 . 0 0 "[ . 1 . 2]" 1
981 1 64 ILE HG13 1 64 ILE MG . . 3.660 3.212 3.031 3.268 . 0 0 "[ . 1 . 2]" 1
982 1 64 ILE MG 1 65 THR H . . 3.990 3.134 2.797 3.295 . 0 0 "[ . 1 . 2]" 1
983 1 64 ILE MG 1 65 THR HA . . 4.940 3.257 3.126 3.381 . 0 0 "[ . 1 . 2]" 1
984 1 64 ILE MG 1 65 THR MG . . 4.570 4.618 4.388 4.693 0.123 4 0 "[ . 1 . 2]" 1
985 1 64 ILE MG 1 68 GLU H . . 5.500 3.976 3.684 4.410 . 0 0 "[ . 1 . 2]" 1
986 1 64 ILE MG 1 68 GLU HB2 . . 5.240 3.834 3.501 4.375 . 0 0 "[ . 1 . 2]" 1
987 1 65 THR H 1 65 THR HB . . 3.370 2.567 2.448 2.662 . 0 0 "[ . 1 . 2]" 1
988 1 65 THR H 1 65 THR HG1 . . 3.780 1.992 1.904 2.076 . 0 0 "[ . 1 . 2]" 1
989 1 65 THR H 1 65 THR MG . . 3.660 3.737 3.715 3.752 0.092 1 0 "[ . 1 . 2]" 1
990 1 65 THR H 1 66 VAL H . . 3.170 2.844 2.706 2.945 . 0 0 "[ . 1 . 2]" 1
991 1 65 THR H 1 66 VAL HA . . 5.500 5.364 5.297 5.423 . 0 0 "[ . 1 . 2]" 1
992 1 65 THR H 1 66 VAL QG . . 5.450 4.082 3.781 4.805 . 0 0 "[ . 1 . 2]" 1
993 1 65 THR H 1 102 ILE MG . . 5.420 3.857 3.741 3.982 . 0 0 "[ . 1 . 2]" 1
994 1 65 THR HA 1 65 THR MG . . 3.590 2.354 2.308 2.406 . 0 0 "[ . 1 . 2]" 1
995 1 65 THR HA 1 66 VAL HA . . 4.790 4.693 4.599 4.851 0.061 5 0 "[ . 1 . 2]" 1
996 1 65 THR HA 1 68 GLU H . . 3.650 3.533 3.288 3.698 0.048 13 0 "[ . 1 . 2]" 1
997 1 65 THR HA 1 68 GLU HB3 . . 4.510 4.086 3.319 4.643 0.133 10 0 "[ . 1 . 2]" 1
998 1 65 THR HA 1 69 TYR H . . 4.480 4.189 3.792 4.538 0.058 19 0 "[ . 1 . 2]" 1
999 1 65 THR HA 1 69 TYR QD . . 5.240 4.241 3.611 4.785 . 0 0 "[ . 1 . 2]" 1
1000 1 65 THR HB 1 66 VAL H . . 4.380 2.630 2.445 2.828 . 0 0 "[ . 1 . 2]" 1
1001 1 65 THR HB 1 66 VAL QG . . 5.500 3.349 3.004 4.110 . 0 0 "[ . 1 . 2]" 1
1002 1 65 THR HB 1 67 THR H . . 5.500 4.960 4.809 5.132 . 0 0 "[ . 1 . 2]" 1
1003 1 65 THR HB 1 102 ILE MD . . 4.980 3.002 2.679 3.937 . 0 0 "[ . 1 . 2]" 1
1004 1 65 THR HB 1 102 ILE HG12 . . 5.000 3.689 2.645 4.094 . 0 0 "[ . 1 . 2]" 1
1005 1 65 THR HB 1 102 ILE MG . . 3.780 2.031 1.928 2.147 . 0 0 "[ . 1 . 2]" 1
1006 1 65 THR HG1 1 66 VAL H . . 4.840 4.096 3.965 4.259 . 0 0 "[ . 1 . 2]" 1
1007 1 65 THR MG 1 66 VAL H . . 5.390 3.621 3.466 3.767 . 0 0 "[ . 1 . 2]" 1
1008 1 65 THR MG 1 66 VAL HA . . 5.000 3.654 3.478 3.968 . 0 0 "[ . 1 . 2]" 1
1009 1 65 THR MG 1 69 TYR H . . 5.150 4.283 3.912 4.645 . 0 0 "[ . 1 . 2]" 1
1010 1 65 THR MG 1 69 TYR HB3 . . 5.500 5.142 4.764 5.606 0.106 16 0 "[ . 1 . 2]" 1
1011 1 65 THR MG 1 69 TYR QD . . 3.970 2.683 2.101 3.800 . 0 0 "[ . 1 . 2]" 1
1012 1 65 THR MG 1 69 TYR QE . . 3.990 2.800 2.122 4.089 0.099 15 0 "[ . 1 . 2]" 1
1013 1 65 THR MG 1 71 ILE MD . . 5.500 3.609 3.130 4.032 . 0 0 "[ . 1 . 2]" 1
1014 1 65 THR MG 1 71 ILE HG13 . . 5.500 5.360 5.075 5.581 0.081 8 0 "[ . 1 . 2]" 1
1015 1 65 THR MG 1 102 ILE HA . . 5.500 3.928 3.692 4.328 . 0 0 "[ . 1 . 2]" 1
1016 1 65 THR MG 1 102 ILE MD . . 4.020 2.380 2.138 3.021 . 0 0 "[ . 1 . 2]" 1
1017 1 65 THR MG 1 102 ILE HG12 . . 2.910 2.345 2.001 2.775 . 0 0 "[ . 1 . 2]" 1
1018 1 65 THR MG 1 102 ILE HG13 . . 5.500 3.736 3.002 4.266 . 0 0 "[ . 1 . 2]" 1
1019 1 65 THR MG 1 102 ILE MG . . 3.470 2.308 2.158 2.658 . 0 0 "[ . 1 . 2]" 1
1020 1 66 VAL H 1 66 VAL HB . . 3.550 3.225 2.013 3.629 0.079 2 0 "[ . 1 . 2]" 1
1021 1 66 VAL H 1 66 VAL QG . . 3.540 2.202 1.894 2.880 . 0 0 "[ . 1 . 2]" 1
1022 1 66 VAL H 1 67 THR H . . 3.400 2.610 2.533 2.735 . 0 0 "[ . 1 . 2]" 1
1023 1 66 VAL H 1 67 THR HA . . 5.180 5.219 5.187 5.243 0.063 2 0 "[ . 1 . 2]" 1
1024 1 66 VAL H 1 71 ILE MD . . 5.500 4.395 4.145 4.741 . 0 0 "[ . 1 . 2]" 1
1025 1 66 VAL H 1 102 ILE MD . . 4.360 3.578 3.186 4.390 0.030 6 0 "[ . 1 . 2]" 1
1026 1 66 VAL HA 1 67 THR HA . . 5.500 4.824 4.661 4.959 . 0 0 "[ . 1 . 2]" 1
1027 1 66 VAL HA 1 69 TYR H . . 5.500 3.472 3.152 3.941 . 0 0 "[ . 1 . 2]" 1
1028 1 66 VAL HA 1 69 TYR HB2 . . 4.860 2.865 2.480 3.279 . 0 0 "[ . 1 . 2]" 1
1029 1 66 VAL HA 1 71 ILE H . . 4.820 3.696 3.488 4.047 . 0 0 "[ . 1 . 2]" 1
1030 1 66 VAL HA 1 71 ILE HB . . 4.690 4.632 4.399 4.756 0.066 17 0 "[ . 1 . 2]" 1
1031 1 66 VAL HA 1 71 ILE MD . . 4.390 2.237 2.005 2.538 . 0 0 "[ . 1 . 2]" 1
1032 1 66 VAL HA 1 71 ILE HG12 . . 4.290 2.945 2.409 3.473 . 0 0 "[ . 1 . 2]" 1
1033 1 66 VAL HA 1 71 ILE HG13 . . 4.320 2.248 2.074 2.465 . 0 0 "[ . 1 . 2]" 1
1034 1 66 VAL HA 1 71 ILE MG . . 5.500 4.647 4.270 4.919 . 0 0 "[ . 1 . 2]" 1
1035 1 66 VAL HA 1 98 VAL QG . . 5.500 4.242 3.969 4.583 . 0 0 "[ . 1 . 2]" 1
1036 1 66 VAL HA 1 102 ILE MD . . 4.210 3.064 2.785 3.668 . 0 0 "[ . 1 . 2]" 1
1037 1 66 VAL HA 1 102 ILE MG . . 4.300 4.376 4.257 4.412 0.112 19 0 "[ . 1 . 2]" 1
1038 1 66 VAL HB 1 67 THR H . . 4.440 3.729 2.763 4.091 . 0 0 "[ . 1 . 2]" 1
1039 1 66 VAL HB 1 74 ALA MB . . 4.900 3.722 2.381 4.688 . 0 0 "[ . 1 . 2]" 1
1040 1 66 VAL HB 1 98 VAL QG . . 5.500 4.397 3.847 5.258 . 0 0 "[ . 1 . 2]" 1
1041 1 66 VAL QG 1 67 THR H . . 3.660 2.519 2.184 3.025 . 0 0 "[ . 1 . 2]" 1
1042 1 66 VAL QG 1 67 THR HA . . 5.500 3.500 3.225 3.816 . 0 0 "[ . 1 . 2]" 1
1043 1 66 VAL QG 1 67 THR MG . . 4.470 4.486 4.290 4.524 0.054 14 0 "[ . 1 . 2]" 1
1044 1 66 VAL QG 1 71 ILE H . . 4.840 3.717 3.190 4.053 . 0 0 "[ . 1 . 2]" 1
1045 1 66 VAL QG 1 71 ILE HB . . 4.710 3.661 3.114 4.116 . 0 0 "[ . 1 . 2]" 1
1046 1 66 VAL QG 1 71 ILE MD . . 3.890 2.080 1.906 2.630 . 0 0 "[ . 1 . 2]" 1
1047 1 66 VAL QG 1 71 ILE HG12 . . 3.810 3.659 3.248 4.156 0.346 3 0 "[ . 1 . 2]" 1
1048 1 66 VAL QG 1 71 ILE MG . . 4.970 4.284 3.993 4.478 . 0 0 "[ . 1 . 2]" 1
1049 1 66 VAL QG 1 73 PRO HD2 . . 4.650 2.874 2.103 4.146 . 0 0 "[ . 1 . 2]" 1
1050 1 66 VAL QG 1 73 PRO HG2 . . 5.500 3.729 2.732 4.620 . 0 0 "[ . 1 . 2]" 1
1051 1 66 VAL QG 1 74 ALA H . . 5.060 3.400 2.655 4.114 . 0 0 "[ . 1 . 2]" 1
1052 1 66 VAL QG 1 74 ALA MB . . 4.310 2.132 1.836 2.601 . 0 0 "[ . 1 . 2]" 1
1053 1 66 VAL QG 1 98 VAL QG . . 2.960 2.723 2.302 2.918 . 0 0 "[ . 1 . 2]" 1
1054 1 66 VAL QG 1 99 THR HB . . 5.500 4.265 4.007 4.751 . 0 0 "[ . 1 . 2]" 1
1055 1 66 VAL QG 1 99 THR MG . . 4.360 3.067 2.735 3.595 . 0 0 "[ . 1 . 2]" 1
1056 1 66 VAL QG 1 101 VAL QG . . 5.340 4.910 4.628 5.196 . 0 0 "[ . 1 . 2]" 1
1057 1 66 VAL QG 1 102 ILE HB . . 5.320 3.347 3.117 3.527 . 0 0 "[ . 1 . 2]" 1
1058 1 66 VAL QG 1 102 ILE MD . . 2.500 1.972 1.823 2.132 . 0 0 "[ . 1 . 2]" 1
1059 1 66 VAL QG 1 102 ILE HG12 . . 5.150 4.075 3.167 4.381 . 0 0 "[ . 1 . 2]" 1
1060 1 66 VAL QG 1 102 ILE MG . . 3.730 2.502 2.224 3.196 . 0 0 "[ . 1 . 2]" 1
1061 1 67 THR H 1 67 THR HB . . 3.270 2.159 1.975 2.355 . 0 0 "[ . 1 . 2]" 1
1062 1 67 THR H 1 67 THR MG . . 3.920 3.468 2.742 3.671 . 0 0 "[ . 1 . 2]" 1
1063 1 67 THR H 1 68 GLU H . . 3.520 2.801 2.653 2.984 . 0 0 "[ . 1 . 2]" 1
1064 1 67 THR H 1 69 TYR H . . 4.360 4.240 3.922 4.416 0.056 8 0 "[ . 1 . 2]" 1
1065 1 67 THR H 1 74 ALA MB . . 5.500 3.476 2.842 4.037 . 0 0 "[ . 1 . 2]" 1
1066 1 67 THR HA 1 67 THR MG . . 3.470 2.758 2.521 3.232 . 0 0 "[ . 1 . 2]" 1
1067 1 67 THR HA 1 70 SER H . . 5.140 3.524 3.176 3.767 . 0 0 "[ . 1 . 2]" 1
1068 1 67 THR HA 1 74 ALA MB . . 3.650 2.862 1.929 3.747 0.097 18 0 "[ . 1 . 2]" 1
1069 1 67 THR MG 1 68 GLU H . . 4.390 2.998 2.234 3.495 . 0 0 "[ . 1 . 2]" 1
1070 1 67 THR MG 1 74 ALA MB . . 4.150 3.563 2.777 4.265 0.115 15 0 "[ . 1 . 2]" 1
1071 1 68 GLU H 1 68 GLU HB2 . . 3.750 2.243 2.029 2.718 . 0 0 "[ . 1 . 2]" 1
1072 1 68 GLU H 1 68 GLU HB3 . . 3.340 3.224 2.401 3.599 0.259 11 0 "[ . 1 . 2]" 1
1073 1 68 GLU H 1 68 GLU QG . . 3.830 3.178 2.434 3.929 0.099 15 0 "[ . 1 . 2]" 1
1074 1 68 GLU H 1 69 TYR H . . 3.660 2.723 2.568 2.926 . 0 0 "[ . 1 . 2]" 1
1075 1 68 GLU H 1 70 SER H . . 4.050 3.924 3.621 4.122 0.072 7 0 "[ . 1 . 2]" 1
1076 1 68 GLU HB3 1 69 TYR H . . 3.690 3.101 2.497 3.783 0.093 7 0 "[ . 1 . 2]" 1
1077 1 69 TYR H 1 69 TYR HB3 . . 3.790 3.562 3.474 3.668 . 0 0 "[ . 1 . 2]" 1
1078 1 69 TYR H 1 69 TYR QD . . 4.970 3.064 2.464 3.555 . 0 0 "[ . 1 . 2]" 1
1079 1 69 TYR H 1 69 TYR QE . . 5.500 4.907 4.464 5.218 . 0 0 "[ . 1 . 2]" 1
1080 1 69 TYR H 1 70 SER H . . 3.430 2.673 2.460 2.810 . 0 0 "[ . 1 . 2]" 1
1081 1 69 TYR H 1 71 ILE H . . 4.860 4.377 4.044 4.794 . 0 0 "[ . 1 . 2]" 1
1082 1 69 TYR HA 1 69 TYR QD . . 3.850 2.478 2.067 3.086 . 0 0 "[ . 1 . 2]" 1
1083 1 69 TYR HA 1 71 ILE H . . 5.500 5.245 4.796 5.514 0.014 14 0 "[ . 1 . 2]" 1
1084 1 69 TYR HA 1 71 ILE MG . . 5.500 4.577 4.164 5.087 . 0 0 "[ . 1 . 2]" 1
1085 1 69 TYR HB2 1 70 SER H . . 5.500 3.705 3.437 3.901 . 0 0 "[ . 1 . 2]" 1
1086 1 69 TYR HB2 1 71 ILE MD . . 4.780 2.467 2.323 2.672 . 0 0 "[ . 1 . 2]" 1
1087 1 69 TYR HB2 1 71 ILE HG13 . . 5.010 3.349 2.752 3.869 . 0 0 "[ . 1 . 2]" 1
1088 1 69 TYR HB2 1 71 ILE MG . . 4.640 3.736 3.025 4.448 . 0 0 "[ . 1 . 2]" 1
1089 1 69 TYR HB3 1 70 SER H . . 5.500 4.222 3.817 4.438 . 0 0 "[ . 1 . 2]" 1
1090 1 69 TYR HB3 1 71 ILE MD . . 4.820 2.887 2.453 3.439 . 0 0 "[ . 1 . 2]" 1
1091 1 69 TYR HB3 1 71 ILE HG13 . . 4.700 4.124 3.300 4.845 0.145 14 0 "[ . 1 . 2]" 1
1092 1 69 TYR HB3 1 71 ILE MG . . 5.320 3.003 2.284 3.942 . 0 0 "[ . 1 . 2]" 1
1093 1 69 TYR QD 1 70 SER H . . 5.500 4.845 4.635 5.033 . 0 0 "[ . 1 . 2]" 1
1094 1 69 TYR QD 1 71 ILE MD . . 5.090 2.997 2.322 3.632 . 0 0 "[ . 1 . 2]" 1
1095 1 69 TYR QD 1 71 ILE HG13 . . 5.500 4.913 4.292 5.489 . 0 0 "[ . 1 . 2]" 1
1096 1 69 TYR QE 1 71 ILE MD . . 4.730 4.673 4.133 4.848 0.118 16 0 "[ . 1 . 2]" 1
1097 1 70 SER H 1 70 SER QB . . 3.140 3.118 2.862 3.245 0.105 8 0 "[ . 1 . 2]" 1
1098 1 70 SER H 1 71 ILE H . . 4.020 3.007 2.726 3.236 . 0 0 "[ . 1 . 2]" 1
1099 1 70 SER H 1 71 ILE HG12 . . 5.500 3.803 3.481 4.146 . 0 0 "[ . 1 . 2]" 1
1100 1 70 SER H 1 75 ALA HA . . 5.300 4.620 3.968 5.229 . 0 0 "[ . 1 . 2]" 1
1101 1 70 SER H 1 75 ALA MB . . 5.310 4.805 4.034 5.400 0.090 6 0 "[ . 1 . 2]" 1
1102 1 70 SER HA 1 70 SER QB . . 2.790 2.304 2.127 2.500 . 0 0 "[ . 1 . 2]" 1
1103 1 70 SER HA 1 71 ILE H . . 3.490 2.471 2.276 2.754 . 0 0 "[ . 1 . 2]" 1
1104 1 70 SER HA 1 75 ALA HA . . 3.300 2.615 2.053 3.208 . 0 0 "[ . 1 . 2]" 1
1105 1 70 SER HA 1 75 ALA MB . . 4.910 3.077 2.308 3.955 . 0 0 "[ . 1 . 2]" 1
1106 1 70 SER QB 1 75 ALA HA . . 4.080 3.332 2.126 4.172 0.092 7 0 "[ . 1 . 2]" 1
1107 1 70 SER QB 1 75 ALA MB . . 4.240 2.885 2.218 4.120 . 0 0 "[ . 1 . 2]" 1
1108 1 71 ILE H 1 71 ILE HB . . 4.130 3.735 3.629 3.806 . 0 0 "[ . 1 . 2]" 1
1109 1 71 ILE H 1 71 ILE MD . . 5.500 3.828 3.703 3.971 . 0 0 "[ . 1 . 2]" 1
1110 1 71 ILE H 1 71 ILE HG12 . . 3.610 2.509 2.160 2.938 . 0 0 "[ . 1 . 2]" 1
1111 1 71 ILE H 1 71 ILE HG13 . . 3.980 2.360 2.055 2.841 . 0 0 "[ . 1 . 2]" 1
1112 1 71 ILE H 1 72 GLY H . . 5.210 4.406 4.109 4.543 . 0 0 "[ . 1 . 2]" 1
1113 1 71 ILE HA 1 71 ILE MD . . 4.700 4.248 4.188 4.310 . 0 0 "[ . 1 . 2]" 1
1114 1 71 ILE HA 1 71 ILE MG . . 3.710 2.226 2.114 2.322 . 0 0 "[ . 1 . 2]" 1
1115 1 71 ILE HA 1 72 GLY H . . 3.130 2.450 2.115 2.626 . 0 0 "[ . 1 . 2]" 1
1116 1 71 ILE HA 1 72 GLY HA3 . . 5.500 4.571 4.364 4.661 . 0 0 "[ . 1 . 2]" 1
1117 1 71 ILE HA 1 75 ALA HA . . 5.500 4.957 4.010 5.588 0.088 18 0 "[ . 1 . 2]" 1
1118 1 71 ILE HA 1 75 ALA MB . . 3.940 2.886 2.108 3.320 . 0 0 "[ . 1 . 2]" 1
1119 1 71 ILE HB 1 71 ILE MD . . 3.510 2.366 2.161 2.524 . 0 0 "[ . 1 . 2]" 1
1120 1 71 ILE HB 1 72 GLY H . . 3.740 2.566 2.238 3.809 0.069 20 0 "[ . 1 . 2]" 1
1121 1 71 ILE HB 1 75 ALA MB . . 5.350 4.903 4.299 5.426 0.076 9 0 "[ . 1 . 2]" 1
1122 1 71 ILE HB 1 98 VAL QG . . 3.840 2.482 2.130 2.737 . 0 0 "[ . 1 . 2]" 1
1123 1 71 ILE MD 1 71 ILE MG . . 2.440 2.221 2.091 2.435 . 0 0 "[ . 1 . 2]" 1
1124 1 71 ILE MD 1 72 GLY H . . 5.500 4.330 3.730 5.517 0.017 20 0 "[ . 1 . 2]" 1
1125 1 71 ILE MD 1 102 ILE HB . . 5.250 4.773 4.522 5.263 0.013 19 0 "[ . 1 . 2]" 1
1126 1 71 ILE MD 1 102 ILE MD . . 4.150 2.170 1.997 2.449 . 0 0 "[ . 1 . 2]" 1
1127 1 71 ILE MD 1 102 ILE HG12 . . 4.430 4.320 3.764 4.539 0.109 19 0 "[ . 1 . 2]" 1
1128 1 71 ILE HG12 1 71 ILE MG . . 3.690 2.300 2.202 2.429 . 0 0 "[ . 1 . 2]" 1
1129 1 71 ILE HG12 1 72 GLY H . . 5.500 4.994 4.601 5.390 . 0 0 "[ . 1 . 2]" 1
1130 1 71 ILE HG12 1 98 VAL QG . . 5.500 3.885 3.690 4.066 . 0 0 "[ . 1 . 2]" 1
1131 1 71 ILE HG13 1 71 ILE MG . . 3.450 3.189 3.152 3.251 . 0 0 "[ . 1 . 2]" 1
1132 1 71 ILE MG 1 72 GLY H . . 4.120 3.441 2.909 3.818 . 0 0 "[ . 1 . 2]" 1
1133 1 71 ILE MG 1 72 GLY HA3 . . 5.500 5.213 4.935 5.466 . 0 0 "[ . 1 . 2]" 1
1134 1 71 ILE MG 1 75 ALA MB . . 4.370 4.186 3.672 4.469 0.099 20 0 "[ . 1 . 2]" 1
1135 1 71 ILE MG 1 98 VAL HB . . 5.500 4.675 4.283 5.003 . 0 0 "[ . 1 . 2]" 1
1136 1 71 ILE MG 1 98 VAL QG . . 3.120 2.817 2.492 2.988 . 0 0 "[ . 1 . 2]" 1
1137 1 71 ILE MG 1 102 ILE MD . . 5.500 4.637 4.302 4.938 . 0 0 "[ . 1 . 2]" 1
1138 1 72 GLY H 1 73 PRO HD2 . . 4.740 4.844 4.629 5.311 0.571 12 1 "[ . 1 + . 2]" 1
1139 1 72 GLY H 1 75 ALA MB . . 4.980 3.856 2.716 4.725 . 0 0 "[ . 1 . 2]" 1
1140 1 72 GLY HA2 1 73 PRO HD3 . . 3.110 2.753 2.390 3.191 0.081 14 0 "[ . 1 . 2]" 1
1141 1 72 GLY HA2 1 74 ALA H . . 4.550 4.307 4.009 4.506 . 0 0 "[ . 1 . 2]" 1
1142 1 72 GLY HA3 1 73 PRO HD2 . . 2.450 2.189 2.050 2.599 0.149 12 0 "[ . 1 . 2]" 1
1143 1 72 GLY HA3 1 73 PRO HD3 . . 3.700 2.831 2.323 3.428 . 0 0 "[ . 1 . 2]" 1
1144 1 72 GLY HA3 1 73 PRO HG2 . . 5.500 4.361 4.152 4.682 . 0 0 "[ . 1 . 2]" 1
1145 1 72 GLY HA3 1 73 PRO HG3 . . 5.090 4.716 4.467 5.023 . 0 0 "[ . 1 . 2]" 1
1146 1 72 GLY HA3 1 74 ALA H . . 5.240 3.462 2.857 3.964 . 0 0 "[ . 1 . 2]" 1
1147 1 73 PRO HA 1 74 ALA HA . . 4.990 4.572 4.262 4.779 . 0 0 "[ . 1 . 2]" 1
1148 1 73 PRO HA 1 75 ALA H . . 5.500 4.165 3.336 5.220 . 0 0 "[ . 1 . 2]" 1
1149 1 73 PRO HD2 1 74 ALA H . . 4.980 3.418 2.830 4.193 . 0 0 "[ . 1 . 2]" 1
1150 1 73 PRO HD3 1 74 ALA H . . 5.500 4.308 3.978 4.734 . 0 0 "[ . 1 . 2]" 1
1151 1 74 ALA H 1 75 ALA H . . 3.140 2.448 1.682 3.217 0.077 15 0 "[ . 1 . 2]" 1
1152 1 74 ALA H 1 75 ALA HA . . 4.870 4.500 4.159 4.936 0.066 2 0 "[ . 1 . 2]" 1
1153 1 75 ALA H 1 75 ALA MB . . 2.850 2.348 2.161 2.771 . 0 0 "[ . 1 . 2]" 1
1154 1 75 ALA H 1 76 LYS H . . 4.120 3.388 2.424 4.216 0.096 11 0 "[ . 1 . 2]" 1
1155 1 75 ALA HA 1 76 LYS H . . 3.600 3.177 2.162 3.615 0.015 13 0 "[ . 1 . 2]" 1
1156 1 75 ALA HA 1 76 LYS HA . . 4.530 4.515 4.227 4.618 0.088 18 0 "[ . 1 . 2]" 1
1157 1 75 ALA MB 1 76 LYS H . . 3.560 2.248 1.856 3.593 0.033 6 0 "[ . 1 . 2]" 1
1158 1 75 ALA MB 1 76 LYS HA . . 3.950 4.024 3.923 4.071 0.121 20 0 "[ . 1 . 2]" 1
1159 1 75 ALA MB 1 76 LYS HG2 . . 5.310 4.461 2.815 5.399 0.089 20 0 "[ . 1 . 2]" 1
1160 1 76 LYS H 1 76 LYS HB2 . . 4.180 3.206 2.434 3.990 . 0 0 "[ . 1 . 2]" 1
1161 1 76 LYS H 1 76 LYS HB3 . . 3.690 3.520 2.673 4.111 0.421 7 0 "[ . 1 . 2]" 1
1162 1 76 LYS H 1 76 LYS HG2 . . 4.720 3.578 2.235 4.761 0.041 20 0 "[ . 1 . 2]" 1
1163 1 76 LYS H 1 76 LYS HG3 . . 4.410 3.446 2.300 4.768 0.358 17 0 "[ . 1 . 2]" 1
1164 1 76 LYS H 1 77 LYS H . . 5.500 3.852 2.081 4.644 . 0 0 "[ . 1 . 2]" 1
1165 1 76 LYS HA 1 77 LYS H . . 3.270 2.542 2.056 3.351 0.081 8 0 "[ . 1 . 2]" 1
1166 1 76 LYS HB2 1 76 LYS QE . . 4.330 3.497 2.040 4.216 . 0 0 "[ . 1 . 2]" 1
1167 1 76 LYS HB3 1 76 LYS QE . . 4.600 3.494 2.139 4.225 . 0 0 "[ . 1 . 2]" 1
1168 1 76 LYS QD 1 76 LYS HG2 . . 2.510 2.318 2.153 2.516 0.006 18 0 "[ . 1 . 2]" 1
1169 1 77 LYS H 1 77 LYS HA . . 2.870 2.679 2.177 2.945 0.075 8 0 "[ . 1 . 2]" 1
1170 1 77 LYS H 1 77 LYS HB2 . . 3.060 3.140 2.498 3.750 0.690 6 4 "[ - .+ 1 * *]" 1
1171 1 77 LYS H 1 78 ASN H . . 4.900 3.881 2.347 4.722 . 0 0 "[ . 1 . 2]" 1
1172 1 77 LYS H 1 78 ASN HA . . 5.500 5.293 4.512 5.596 0.096 10 0 "[ . 1 . 2]" 1
1173 1 77 LYS HA 1 77 LYS QD . . 4.450 3.322 2.085 4.527 0.077 15 0 "[ . 1 . 2]" 1
1174 1 77 LYS HA 1 77 LYS QG . . 3.700 3.081 2.614 3.518 . 0 0 "[ . 1 . 2]" 1
1175 1 77 LYS HA 1 78 ASN H . . 3.540 3.013 2.018 3.593 0.053 1 0 "[ . 1 . 2]" 1
1176 1 77 LYS HA 1 78 ASN HA . . 5.500 4.611 4.142 5.115 . 0 0 "[ . 1 . 2]" 1
1177 1 77 LYS HB2 1 77 LYS QD . . 3.670 2.623 2.139 3.494 . 0 0 "[ . 1 . 2]" 1
1178 1 77 LYS HB2 1 77 LYS QE . . 3.940 3.567 2.120 4.173 0.233 2 0 "[ . 1 . 2]" 1
1179 1 77 LYS HB2 1 78 ASN H . . 3.830 3.681 2.321 4.214 0.384 3 0 "[ . 1 . 2]" 1
1180 1 77 LYS HB3 1 77 LYS QE . . 4.280 3.651 1.969 4.188 . 0 0 "[ . 1 . 2]" 1
1181 1 77 LYS HB3 1 78 ASN H . . 4.750 3.225 2.059 4.198 . 0 0 "[ . 1 . 2]" 1
1182 1 77 LYS QE 1 78 ASN QB . . 2.930 2.743 2.158 2.986 0.056 19 0 "[ . 1 . 2]" 1
1183 1 77 LYS QG 1 78 ASN H . . 5.500 2.461 1.674 3.802 . 0 0 "[ . 1 . 2]" 1
1184 1 77 LYS QG 1 78 ASN QB . . 4.400 3.235 2.140 4.220 . 0 0 "[ . 1 . 2]" 1
1185 1 77 LYS QG 1 79 THR H . . 4.650 4.103 2.095 4.598 . 0 0 "[ . 1 . 2]" 1
1186 1 78 ASN H 1 78 ASN QB . . 3.620 2.887 2.185 3.451 . 0 0 "[ . 1 . 2]" 1
1187 1 78 ASN H 1 78 ASN HD21 . . 4.990 4.751 3.807 5.070 0.080 17 0 "[ . 1 . 2]" 1
1188 1 78 ASN H 1 79 THR H . . 4.440 2.707 1.957 4.279 . 0 0 "[ . 1 . 2]" 1
1189 1 78 ASN H 1 79 THR HA . . 4.610 4.426 3.355 4.700 0.090 3 0 "[ . 1 . 2]" 1
1190 1 78 ASN HA 1 79 THR H . . 3.280 2.929 2.167 3.383 0.103 14 0 "[ . 1 . 2]" 1
1191 1 78 ASN HA 1 79 THR HA . . 5.500 4.513 4.033 5.239 . 0 0 "[ . 1 . 2]" 1
1192 1 78 ASN QB 1 79 THR H . . 5.030 3.351 2.071 4.072 . 0 0 "[ . 1 . 2]" 1
1193 1 78 ASN QB 1 79 THR HA . . 4.530 4.329 3.885 4.456 . 0 0 "[ . 1 . 2]" 1
1194 1 79 THR H 1 79 THR MG . . 3.720 3.214 2.119 3.837 0.117 2 0 "[ . 1 . 2]" 1
1195 1 79 THR H 1 80 SER H . . 4.210 3.863 2.083 4.299 0.089 14 0 "[ . 1 . 2]" 1
1196 1 79 THR HA 1 79 THR MG . . 3.680 2.811 2.289 3.304 . 0 0 "[ . 1 . 2]" 1
1197 1 79 THR HA 1 80 SER H . . 3.350 2.387 2.067 3.179 . 0 0 "[ . 1 . 2]" 1
1198 1 79 THR HA 1 80 SER HA . . 4.260 4.318 4.203 4.359 0.099 12 0 "[ . 1 . 2]" 1
1199 1 79 THR MG 1 80 SER H . . 5.130 3.530 1.695 4.459 . 0 0 "[ . 1 . 2]" 1
1200 1 79 THR MG 1 80 SER HA . . 4.590 4.223 3.308 4.694 0.104 5 0 "[ . 1 . 2]" 1
1201 1 80 SER H 1 80 SER HB2 . . 3.640 3.006 2.315 4.027 0.387 5 0 "[ . 1 . 2]" 1
1202 1 80 SER HA 1 81 GLU H . . 3.530 2.587 2.067 3.583 0.053 12 0 "[ . 1 . 2]" 1
1203 1 80 SER HA 1 82 ALA H . . 5.500 4.201 3.440 5.570 0.070 12 0 "[ . 1 . 2]" 1
1204 1 80 SER HB2 1 81 GLU H . . 4.540 3.864 2.200 4.659 0.119 10 0 "[ . 1 . 2]" 1
1205 1 81 GLU H 1 81 GLU HB2 . . 4.010 2.957 2.304 3.978 . 0 0 "[ . 1 . 2]" 1
1206 1 81 GLU H 1 81 GLU HG3 . . 5.480 4.108 3.026 5.130 . 0 0 "[ . 1 . 2]" 1
1207 1 81 GLU H 1 82 ALA H . . 4.560 2.354 1.668 3.756 . 0 0 "[ . 1 . 2]" 1
1208 1 81 GLU H 1 83 VAL H . . 5.400 5.157 3.788 5.484 0.084 5 0 "[ . 1 . 2]" 1
1209 1 81 GLU HA 1 81 GLU HG2 . . 4.040 3.001 2.190 3.699 . 0 0 "[ . 1 . 2]" 1
1210 1 81 GLU HA 1 81 GLU HG3 . . 3.860 2.985 2.085 3.965 0.105 13 0 "[ . 1 . 2]" 1
1211 1 81 GLU HB2 1 82 ALA H . . 4.340 3.506 2.123 4.622 0.282 18 0 "[ . 1 . 2]" 1
1212 1 81 GLU HB2 1 82 ALA MB . . 5.010 4.688 3.386 5.461 0.451 4 0 "[ . 1 . 2]" 1
1213 1 81 GLU HB3 1 82 ALA H . . 5.500 3.713 2.726 4.577 . 0 0 "[ . 1 . 2]" 1
1214 1 82 ALA H 1 82 ALA MB . . 3.660 2.697 2.260 3.042 . 0 0 "[ . 1 . 2]" 1
1215 1 82 ALA H 1 83 VAL H . . 3.810 3.343 1.936 3.891 0.081 12 0 "[ . 1 . 2]" 1
1216 1 82 ALA H 1 83 VAL MG1 . . 5.500 4.621 3.295 5.589 0.089 17 0 "[ . 1 . 2]" 1
1217 1 82 ALA H 1 83 VAL MG2 . . 5.500 5.362 4.317 5.606 0.106 1 0 "[ . 1 . 2]" 1
1218 1 82 ALA HA 1 83 VAL H . . 3.290 2.631 2.149 3.378 0.088 3 0 "[ . 1 . 2]" 1
1219 1 82 ALA MB 1 83 VAL H . . 4.160 3.074 1.811 3.775 . 0 0 "[ . 1 . 2]" 1
1220 1 82 ALA MB 1 83 VAL HB . . 5.350 4.676 3.560 5.388 0.038 6 0 "[ . 1 . 2]" 1
1221 1 82 ALA MB 1 83 VAL MG1 . . 5.500 4.562 3.121 5.447 . 0 0 "[ . 1 . 2]" 1
1222 1 83 VAL H 1 83 VAL HB . . 3.460 3.090 2.331 3.508 0.048 15 0 "[ . 1 . 2]" 1
1223 1 83 VAL H 1 83 VAL MG1 . . 3.510 2.774 2.034 3.935 0.425 20 0 "[ . 1 . 2]" 1
1224 1 83 VAL H 1 84 ALA H . . 4.430 4.157 2.155 4.460 0.030 20 0 "[ . 1 . 2]" 1
1225 1 83 VAL H 1 84 ALA MB . . 5.450 4.808 3.971 5.564 0.114 14 0 "[ . 1 . 2]" 1
1226 1 83 VAL HA 1 83 VAL MG2 . . 3.360 2.276 2.122 2.460 . 0 0 "[ . 1 . 2]" 1
1227 1 83 VAL HA 1 84 ALA MB . . 4.240 4.178 3.615 4.349 0.109 10 0 "[ . 1 . 2]" 1
1228 1 83 VAL HB 1 84 ALA H . . 4.800 4.153 3.793 4.684 . 0 0 "[ . 1 . 2]" 1
1229 1 83 VAL MG1 1 84 ALA HA . . 4.230 3.979 3.282 4.340 0.110 8 0 "[ . 1 . 2]" 1
1230 1 83 VAL MG1 1 84 ALA MB . . 4.980 3.708 2.154 4.862 . 0 0 "[ . 1 . 2]" 1
1231 1 83 VAL MG1 1 85 ALA H . . 5.500 4.458 2.323 5.595 0.095 9 0 "[ . 1 . 2]" 1
1232 1 83 VAL MG2 1 84 ALA H . . 4.500 2.540 1.805 4.395 . 0 0 "[ . 1 . 2]" 1
1233 1 83 VAL MG2 1 84 ALA MB . . 4.730 3.809 3.021 4.864 0.134 8 0 "[ . 1 . 2]" 1
1234 1 83 VAL MG2 1 85 ALA H . . 5.500 4.508 2.258 5.540 0.040 2 0 "[ . 1 . 2]" 1
1235 1 84 ALA H 1 84 ALA MB . . 3.590 2.610 2.227 3.132 . 0 0 "[ . 1 . 2]" 1
1236 1 84 ALA HA 1 86 ALA H . . 4.330 4.162 3.604 4.418 0.088 16 0 "[ . 1 . 2]" 1
1237 1 84 ALA HA 1 87 ASN H . . 4.290 4.054 3.460 4.366 0.076 4 0 "[ . 1 . 2]" 1
1238 1 84 ALA HA 1 87 ASN HA . . 5.480 4.939 3.786 5.564 0.084 8 0 "[ . 1 . 2]" 1
1239 1 84 ALA MB 1 85 ALA H . . 3.430 2.973 2.082 3.547 0.117 7 0 "[ . 1 . 2]" 1
1240 1 84 ALA MB 1 87 ASN HA . . 5.120 3.877 2.471 5.006 . 0 0 "[ . 1 . 2]" 1
1241 1 84 ALA MB 1 88 GLN QB . . 4.710 3.052 2.023 4.382 . 0 0 "[ . 1 . 2]" 1
1242 1 84 ALA MB 1 88 GLN HE22 . . 5.500 3.491 2.068 4.728 . 0 0 "[ . 1 . 2]" 1
1243 1 84 ALA MB 1 88 GLN QG . . 5.500 4.165 2.454 5.392 . 0 0 "[ . 1 . 2]" 1
1244 1 85 ALA H 1 85 ALA HA . . 2.800 2.589 2.190 2.885 0.085 4 0 "[ . 1 . 2]" 1
1245 1 85 ALA MB 1 86 ALA H . . 4.260 2.293 1.899 2.694 . 0 0 "[ . 1 . 2]" 1
1246 1 86 ALA H 1 86 ALA MB . . 3.480 2.639 2.206 2.919 . 0 0 "[ . 1 . 2]" 1
1247 1 86 ALA H 1 88 GLN H . . 5.500 5.231 4.565 5.571 0.071 11 0 "[ . 1 . 2]" 1
1248 1 86 ALA H 1 91 VAL QG . . 5.500 2.934 1.990 3.311 . 0 0 "[ . 1 . 2]" 1
1249 1 86 ALA HA 1 87 ASN H . . 3.120 2.875 2.195 3.219 0.099 8 0 "[ . 1 . 2]" 1
1250 1 86 ALA HA 1 87 ASN HA . . 5.480 4.541 4.201 4.916 . 0 0 "[ . 1 . 2]" 1
1251 1 86 ALA MB 1 87 ASN H . . 5.500 3.606 3.304 3.797 . 0 0 "[ . 1 . 2]" 1
1252 1 86 ALA MB 1 87 ASN HA . . 5.170 4.869 4.229 5.174 0.004 13 0 "[ . 1 . 2]" 1
1253 1 86 ALA MB 1 87 ASN HB2 . . 5.280 4.218 3.518 4.970 . 0 0 "[ . 1 . 2]" 1
1254 1 86 ALA MB 1 87 ASN HB3 . . 5.500 4.770 3.418 5.519 0.019 10 0 "[ . 1 . 2]" 1
1255 1 86 ALA MB 1 90 GLU QB . . 5.300 4.419 3.434 5.376 0.076 5 0 "[ . 1 . 2]" 1
1256 1 86 ALA MB 1 91 VAL QG . . 5.360 3.397 1.960 4.739 . 0 0 "[ . 1 . 2]" 1
1257 1 87 ASN H 1 87 ASN HB2 . . 3.600 3.230 2.684 3.753 0.153 15 0 "[ . 1 . 2]" 1
1258 1 87 ASN H 1 87 ASN HD21 . . 4.530 4.421 4.095 4.616 0.086 1 0 "[ . 1 . 2]" 1
1259 1 87 ASN H 1 87 ASN HD22 . . 5.500 5.445 4.434 5.599 0.099 2 0 "[ . 1 . 2]" 1
1260 1 87 ASN H 1 88 GLN H . . 4.140 3.596 3.236 4.090 . 0 0 "[ . 1 . 2]" 1
1261 1 87 ASN H 1 88 GLN HE21 . . 5.500 5.659 5.368 6.457 0.957 5 2 "[ + 1 . - 2]" 1
1262 1 87 ASN H 1 90 GLU QB . . 4.820 4.532 3.792 4.921 0.101 14 0 "[ . 1 . 2]" 1
1263 1 87 ASN H 1 91 VAL QG . . 4.630 3.474 2.684 4.413 . 0 0 "[ . 1 . 2]" 1
1264 1 87 ASN HA 1 88 GLN H . . 3.390 2.185 2.126 2.259 . 0 0 "[ . 1 . 2]" 1
1265 1 87 ASN HA 1 89 THR H . . 4.130 3.862 3.516 4.172 0.042 8 0 "[ . 1 . 2]" 1
1266 1 87 ASN HA 1 89 THR MG . . 5.500 4.656 4.188 5.183 . 0 0 "[ . 1 . 2]" 1
1267 1 87 ASN HA 1 90 GLU H . . 5.500 4.340 4.057 4.550 . 0 0 "[ . 1 . 2]" 1
1268 1 87 ASN HA 1 90 GLU QB . . 4.370 4.405 4.240 4.466 0.096 9 0 "[ . 1 . 2]" 1
1269 1 87 ASN HA 1 91 VAL QG . . 5.500 4.288 4.037 4.499 . 0 0 "[ . 1 . 2]" 1
1270 1 87 ASN HB2 1 88 GLN H . . 4.940 4.525 3.855 4.665 . 0 0 "[ . 1 . 2]" 1
1271 1 87 ASN HB2 1 90 GLU QB . . 4.830 2.780 2.076 3.251 . 0 0 "[ . 1 . 2]" 1
1272 1 87 ASN HB2 1 91 VAL QG . . 5.500 4.337 3.631 4.940 . 0 0 "[ . 1 . 2]" 1
1273 1 87 ASN HB3 1 88 GLN H . . 4.310 4.029 3.780 4.444 0.134 8 0 "[ . 1 . 2]" 1
1274 1 87 ASN HB3 1 89 THR H . . 4.830 3.633 2.936 5.554 0.724 8 1 "[ . + 1 . 2]" 1
1275 1 87 ASN HB3 1 90 GLU QB . . 5.060 2.190 1.937 3.508 . 0 0 "[ . 1 . 2]" 1
1276 1 87 ASN HB3 1 91 VAL QG . . 4.790 3.936 3.654 4.652 . 0 0 "[ . 1 . 2]" 1
1277 1 88 GLN H 1 88 GLN QB . . 3.310 2.452 1.974 2.989 . 0 0 "[ . 1 . 2]" 1
1278 1 88 GLN H 1 88 GLN HE21 . . 4.950 3.344 2.084 4.584 . 0 0 "[ . 1 . 2]" 1
1279 1 88 GLN H 1 88 GLN QG . . 4.010 3.163 1.872 4.077 0.067 20 0 "[ . 1 . 2]" 1
1280 1 88 GLN H 1 89 THR H . . 3.510 2.952 2.793 3.106 . 0 0 "[ . 1 . 2]" 1
1281 1 88 GLN H 1 90 GLU H . . 5.360 4.341 4.227 4.433 . 0 0 "[ . 1 . 2]" 1
1282 1 88 GLN H 1 90 GLU QB . . 5.500 5.139 4.992 5.305 . 0 0 "[ . 1 . 2]" 1
1283 1 88 GLN H 1 91 VAL QG . . 4.370 3.873 3.754 3.993 . 0 0 "[ . 1 . 2]" 1
1284 1 88 GLN HA 1 89 THR HA . . 5.380 4.731 4.636 4.828 . 0 0 "[ . 1 . 2]" 1
1285 1 88 GLN HA 1 89 THR MG . . 5.500 5.458 5.008 5.594 0.094 18 0 "[ . 1 . 2]" 1
1286 1 88 GLN HA 1 91 VAL H . . 3.770 3.652 3.513 3.815 0.045 7 0 "[ . 1 . 2]" 1
1287 1 88 GLN HA 1 91 VAL HB . . 5.140 4.939 4.792 5.175 0.035 8 0 "[ . 1 . 2]" 1
1288 1 88 GLN HA 1 91 VAL QG . . 4.200 2.032 1.937 2.224 . 0 0 "[ . 1 . 2]" 1
1289 1 88 GLN HA 1 92 GLU H . . 5.500 3.746 3.484 3.903 . 0 0 "[ . 1 . 2]" 1
1290 1 88 GLN QB 1 89 THR H . . 3.610 3.339 2.710 3.693 0.083 13 0 "[ . 1 . 2]" 1
1291 1 88 GLN QB 1 89 THR HA . . 4.410 4.314 4.029 4.485 0.075 12 0 "[ . 1 . 2]" 1
1292 1 88 GLN QB 1 89 THR HB . . 5.410 4.625 3.922 4.970 . 0 0 "[ . 1 . 2]" 1
1293 1 88 GLN QB 1 89 THR MG . . 5.370 5.210 4.565 5.494 0.124 9 0 "[ . 1 . 2]" 1
1294 1 88 GLN QB 1 90 GLU H . . 5.500 5.005 4.690 5.241 . 0 0 "[ . 1 . 2]" 1
1295 1 88 GLN QB 1 91 VAL QG . . 4.480 3.416 3.154 3.742 . 0 0 "[ . 1 . 2]" 1
1296 1 88 GLN QG 1 89 THR H . . 4.650 3.096 2.093 4.223 . 0 0 "[ . 1 . 2]" 1
1297 1 88 GLN QG 1 89 THR HB . . 5.090 3.989 2.978 5.185 0.095 20 0 "[ . 1 . 2]" 1
1298 1 88 GLN QG 1 91 VAL QG . . 5.220 4.040 3.182 4.597 . 0 0 "[ . 1 . 2]" 1
1299 1 88 GLN QG 1 92 GLU H . . 5.500 5.123 3.957 5.606 0.106 11 0 "[ . 1 . 2]" 1
1300 1 89 THR H 1 89 THR HB . . 3.320 2.142 2.013 2.320 . 0 0 "[ . 1 . 2]" 1
1301 1 89 THR H 1 89 THR MG . . 3.890 2.649 2.244 2.874 . 0 0 "[ . 1 . 2]" 1
1302 1 89 THR H 1 90 GLU H . . 3.310 2.496 2.363 2.746 . 0 0 "[ . 1 . 2]" 1
1303 1 89 THR H 1 90 GLU QB . . 5.230 4.260 4.031 4.498 . 0 0 "[ . 1 . 2]" 1
1304 1 89 THR H 1 91 VAL H . . 4.700 4.348 4.166 4.556 . 0 0 "[ . 1 . 2]" 1
1305 1 89 THR HA 1 89 THR MG . . 3.670 3.236 3.135 3.315 . 0 0 "[ . 1 . 2]" 1
1306 1 89 THR HA 1 92 GLU H . . 4.090 3.663 3.418 3.890 . 0 0 "[ . 1 . 2]" 1
1307 1 89 THR HA 1 92 GLU HA . . 5.500 5.332 5.045 5.582 0.082 4 0 "[ . 1 . 2]" 1
1308 1 89 THR HA 1 92 GLU HB2 . . 4.350 3.574 3.112 4.767 0.417 4 0 "[ . 1 . 2]" 1
1309 1 89 THR HA 1 93 MET H . . 4.470 4.086 3.800 4.477 0.007 6 0 "[ . 1 . 2]" 1
1310 1 89 THR HB 1 90 GLU H . . 3.520 3.603 3.592 3.620 0.100 15 0 "[ . 1 . 2]" 1
1311 1 89 THR MG 1 90 GLU H . . 4.260 2.308 2.028 2.533 . 0 0 "[ . 1 . 2]" 1
1312 1 89 THR MG 1 91 VAL QG . . 5.500 4.790 4.578 4.934 . 0 0 "[ . 1 . 2]" 1
1313 1 89 THR MG 1 93 MET H . . 5.500 4.747 4.340 5.182 . 0 0 "[ . 1 . 2]" 1
1314 1 89 THR MG 1 93 MET HB2 . . 4.900 4.459 3.776 5.246 0.346 6 0 "[ . 1 . 2]" 1
1315 1 89 THR MG 1 93 MET QG . . 5.500 4.819 3.669 5.595 0.095 6 0 "[ . 1 . 2]" 1
1316 1 90 GLU H 1 90 GLU QB . . 2.920 2.259 2.143 2.371 . 0 0 "[ . 1 . 2]" 1
1317 1 90 GLU H 1 90 GLU QG . . 4.570 4.025 3.961 4.119 . 0 0 "[ . 1 . 2]" 1
1318 1 90 GLU H 1 91 VAL H . . 3.400 2.675 2.472 2.881 . 0 0 "[ . 1 . 2]" 1
1319 1 90 GLU H 1 91 VAL QG . . 5.460 3.593 3.319 3.739 . 0 0 "[ . 1 . 2]" 1
1320 1 90 GLU QB 1 91 VAL H . . 3.240 2.369 2.232 2.537 . 0 0 "[ . 1 . 2]" 1
1321 1 90 GLU QG 1 91 VAL H . . 4.260 3.670 3.183 4.069 . 0 0 "[ . 1 . 2]" 1
1322 1 90 GLU QG 1 91 VAL HA . . 4.870 3.904 3.244 4.591 . 0 0 "[ . 1 . 2]" 1
1323 1 90 GLU QG 1 91 VAL QG . . 5.390 3.784 3.118 4.210 . 0 0 "[ . 1 . 2]" 1
1324 1 91 VAL H 1 91 VAL HB . . 3.700 3.658 3.600 3.691 . 0 0 "[ . 1 . 2]" 1
1325 1 91 VAL H 1 91 VAL QG . . 3.380 1.937 1.831 2.029 . 0 0 "[ . 1 . 2]" 1
1326 1 91 VAL H 1 92 GLU H . . 3.160 2.677 2.555 2.930 . 0 0 "[ . 1 . 2]" 1
1327 1 91 VAL HA 1 93 MET H . . 5.500 4.460 4.058 4.684 . 0 0 "[ . 1 . 2]" 1
1328 1 91 VAL HA 1 95 ASN H . . 5.350 3.885 3.696 4.143 . 0 0 "[ . 1 . 2]" 1
1329 1 91 VAL HB 1 92 GLU H . . 5.500 3.883 3.749 3.970 . 0 0 "[ . 1 . 2]" 1
1330 1 91 VAL HB 1 95 ASN H . . 5.200 4.887 4.659 5.252 0.052 20 0 "[ . 1 . 2]" 1
1331 1 91 VAL HB 1 95 ASN HD21 . . 4.280 3.814 3.244 4.409 0.129 3 0 "[ . 1 . 2]" 1
1332 1 91 VAL QG 1 92 GLU H . . 3.530 2.075 1.963 2.171 . 0 0 "[ . 1 . 2]" 1
1333 1 91 VAL QG 1 92 GLU HA . . 4.690 3.101 2.834 3.217 . 0 0 "[ . 1 . 2]" 1
1334 1 91 VAL QG 1 93 MET H . . 4.950 4.292 4.153 4.412 . 0 0 "[ . 1 . 2]" 1
1335 1 91 VAL QG 1 94 GLU QB . . 4.510 3.924 3.620 4.221 . 0 0 "[ . 1 . 2]" 1
1336 1 91 VAL QG 1 95 ASN H . . 5.500 4.473 4.355 4.609 . 0 0 "[ . 1 . 2]" 1
1337 1 91 VAL QG 1 95 ASN HB2 . . 3.950 3.988 3.969 4.002 0.052 15 0 "[ . 1 . 2]" 1
1338 1 91 VAL QG 1 95 ASN HD21 . . 5.500 4.001 3.346 4.619 . 0 0 "[ . 1 . 2]" 1
1339 1 91 VAL QG 1 95 ASN HD22 . . 5.140 4.415 3.825 4.892 . 0 0 "[ . 1 . 2]" 1
1340 1 92 GLU H 1 92 GLU HB2 . . 3.300 2.721 2.530 3.421 0.121 4 0 "[ . 1 . 2]" 1
1341 1 92 GLU H 1 92 GLU HB3 . . 3.320 2.560 2.315 2.864 . 0 0 "[ . 1 . 2]" 1
1342 1 92 GLU H 1 92 GLU HG2 . . 5.500 4.499 3.076 4.718 . 0 0 "[ . 1 . 2]" 1
1343 1 92 GLU H 1 92 GLU HG3 . . 5.500 4.514 3.962 4.646 . 0 0 "[ . 1 . 2]" 1
1344 1 92 GLU H 1 93 MET H . . 3.210 2.928 2.757 3.086 . 0 0 "[ . 1 . 2]" 1
1345 1 92 GLU HA 1 92 GLU HG2 . . 3.910 3.531 2.905 3.981 0.071 4 0 "[ . 1 . 2]" 1
1346 1 92 GLU HA 1 92 GLU HG3 . . 3.900 2.811 2.350 3.677 . 0 0 "[ . 1 . 2]" 1
1347 1 92 GLU HA 1 95 ASN HA . . 5.500 5.150 4.848 5.388 . 0 0 "[ . 1 . 2]" 1
1348 1 92 GLU HA 1 95 ASN HB2 . . 4.160 2.222 2.019 2.434 . 0 0 "[ . 1 . 2]" 1
1349 1 92 GLU HA 1 95 ASN HB3 . . 4.540 3.314 2.856 3.590 . 0 0 "[ . 1 . 2]" 1
1350 1 92 GLU HA 1 96 LYS H . . 5.500 4.045 3.911 4.326 . 0 0 "[ . 1 . 2]" 1
1351 1 92 GLU HA 1 96 LYS HB2 . . 5.500 5.486 5.200 5.576 0.076 10 0 "[ . 1 . 2]" 1
1352 1 92 GLU HB3 1 93 MET H . . 3.760 2.804 2.543 3.808 0.048 4 0 "[ . 1 . 2]" 1
1353 1 92 GLU HB3 1 93 MET HA . . 5.090 4.462 4.122 5.426 0.336 4 0 "[ . 1 . 2]" 1
1354 1 92 GLU HG2 1 93 MET H . . 5.260 3.941 2.625 5.009 . 0 0 "[ . 1 . 2]" 1
1355 1 92 GLU HG2 1 93 MET ME . . 5.500 4.841 3.701 5.607 0.107 10 0 "[ . 1 . 2]" 1
1356 1 92 GLU HG3 1 93 MET H . . 5.040 4.146 2.585 4.851 . 0 0 "[ . 1 . 2]" 1
1357 1 92 GLU HG3 1 93 MET ME . . 4.710 4.875 3.974 5.578 0.868 2 7 "[ + .** 1 * .* *-]" 1
1358 1 92 GLU HG3 1 96 LYS QE . . 5.500 2.970 2.222 4.772 . 0 0 "[ . 1 . 2]" 1
1359 1 93 MET H 1 93 MET ME . . 5.500 4.286 4.065 4.478 . 0 0 "[ . 1 . 2]" 1
1360 1 93 MET H 1 93 MET QG . . 3.550 3.501 2.859 3.676 0.126 17 0 "[ . 1 . 2]" 1
1361 1 93 MET H 1 94 GLU QB . . 4.260 4.260 4.028 4.353 0.093 18 0 "[ . 1 . 2]" 1
1362 1 93 MET H 1 95 ASN H . . 4.140 3.888 3.732 4.064 . 0 0 "[ . 1 . 2]" 1
1363 1 93 MET H 1 96 LYS QD . . 4.320 4.406 4.384 4.436 0.116 18 0 "[ . 1 . 2]" 1
1364 1 93 MET HA 1 93 MET ME . . 4.020 1.927 1.839 2.050 . 0 0 "[ . 1 . 2]" 1
1365 1 93 MET HA 1 96 LYS HB2 . . 5.200 2.702 2.470 2.957 . 0 0 "[ . 1 . 2]" 1
1366 1 93 MET HA 1 96 LYS QD . . 4.130 2.847 2.609 3.263 . 0 0 "[ . 1 . 2]" 1
1367 1 93 MET HB2 1 93 MET ME . . 4.330 3.564 2.539 4.003 . 0 0 "[ . 1 . 2]" 1
1368 1 93 MET HB3 1 93 MET ME . . 4.110 3.496 2.179 3.928 . 0 0 "[ . 1 . 2]" 1
1369 1 93 MET ME 1 95 ASN HB2 . . 5.500 5.598 5.557 5.630 0.130 4 0 "[ . 1 . 2]" 1
1370 1 93 MET ME 1 95 ASN HB3 . . 5.500 5.578 5.232 5.626 0.126 17 0 "[ . 1 . 2]" 1
1371 1 93 MET ME 1 96 LYS HA . . 4.450 4.391 4.086 4.536 0.086 14 0 "[ . 1 . 2]" 1
1372 1 93 MET ME 1 96 LYS QD . . 3.310 2.886 2.313 3.413 0.103 4 0 "[ . 1 . 2]" 1
1373 1 93 MET ME 1 96 LYS QE . . 5.500 4.099 2.524 4.662 . 0 0 "[ . 1 . 2]" 1
1374 1 93 MET ME 1 96 LYS HG2 . . 5.500 3.751 3.307 4.122 . 0 0 "[ . 1 . 2]" 1
1375 1 93 MET ME 1 97 VAL QG . . 5.500 2.199 1.835 3.132 . 0 0 "[ . 1 . 2]" 1
1376 1 93 MET QG 1 96 LYS QD . . 5.500 4.527 3.710 5.339 . 0 0 "[ . 1 . 2]" 1
1377 1 94 GLU H 1 95 ASN H . . 3.800 2.719 2.619 2.800 . 0 0 "[ . 1 . 2]" 1
1378 1 94 GLU H 1 96 LYS QD . . 5.500 5.490 5.357 5.591 0.091 3 0 "[ . 1 . 2]" 1
1379 1 94 GLU QB 1 95 ASN H . . 4.620 2.690 2.519 2.835 . 0 0 "[ . 1 . 2]" 1
1380 1 95 ASN H 1 95 ASN HB2 . . 3.260 2.112 2.027 2.188 . 0 0 "[ . 1 . 2]" 1
1381 1 95 ASN H 1 95 ASN HB3 . . 3.660 3.276 3.095 3.359 . 0 0 "[ . 1 . 2]" 1
1382 1 95 ASN H 1 95 ASN HD22 . . 5.170 4.633 4.368 5.160 . 0 0 "[ . 1 . 2]" 1
1383 1 95 ASN H 1 96 LYS H . . 2.940 2.764 2.548 2.822 . 0 0 "[ . 1 . 2]" 1
1384 1 95 ASN H 1 96 LYS HA . . 5.310 5.364 5.215 5.386 0.076 15 0 "[ . 1 . 2]" 1
1385 1 95 ASN H 1 97 VAL HB . . 5.500 4.831 4.495 5.591 0.091 19 0 "[ . 1 . 2]" 1
1386 1 95 ASN HA 1 95 ASN HD22 . . 5.100 3.530 3.255 3.902 . 0 0 "[ . 1 . 2]" 1
1387 1 95 ASN HA 1 98 VAL HB . . 4.330 4.153 3.641 4.420 0.090 19 0 "[ . 1 . 2]" 1
1388 1 95 ASN HA 1 98 VAL QG . . 4.640 2.261 1.856 2.605 . 0 0 "[ . 1 . 2]" 1
1389 1 95 ASN HB2 1 95 ASN HD22 . . 4.010 3.659 3.548 3.785 . 0 0 "[ . 1 . 2]" 1
1390 1 95 ASN HB2 1 96 LYS H . . 4.700 2.955 2.865 3.145 . 0 0 "[ . 1 . 2]" 1
1391 1 95 ASN HB3 1 96 LYS H . . 4.400 2.649 2.359 3.021 . 0 0 "[ . 1 . 2]" 1
1392 1 95 ASN HB3 1 96 LYS HG2 . . 5.500 5.444 5.020 5.579 0.079 12 0 "[ . 1 . 2]" 1
1393 1 95 ASN HD21 1 98 VAL QG . . 4.910 4.099 3.272 4.692 . 0 0 "[ . 1 . 2]" 1
1394 1 96 LYS H 1 96 LYS HB2 . . 3.810 2.287 2.159 2.395 . 0 0 "[ . 1 . 2]" 1
1395 1 96 LYS H 1 96 LYS HB3 . . 3.840 3.577 3.497 3.646 . 0 0 "[ . 1 . 2]" 1
1396 1 96 LYS H 1 96 LYS HG2 . . 5.170 4.282 4.124 4.370 . 0 0 "[ . 1 . 2]" 1
1397 1 96 LYS H 1 96 LYS HG3 . . 4.720 3.487 2.875 3.845 . 0 0 "[ . 1 . 2]" 1
1398 1 96 LYS H 1 97 VAL H . . 4.390 2.677 2.600 2.761 . 0 0 "[ . 1 . 2]" 1
1399 1 96 LYS HA 1 96 LYS QD . . 4.140 3.410 2.975 3.782 . 0 0 "[ . 1 . 2]" 1
1400 1 96 LYS HA 1 96 LYS QE . . 4.820 4.562 3.987 4.891 0.071 17 0 "[ . 1 . 2]" 1
1401 1 96 LYS HA 1 96 LYS HG2 . . 3.830 3.277 2.780 3.567 . 0 0 "[ . 1 . 2]" 1
1402 1 96 LYS HA 1 96 LYS HG3 . . 3.740 2.145 2.035 2.281 . 0 0 "[ . 1 . 2]" 1
1403 1 96 LYS HA 1 97 VAL QG . . 5.500 4.868 4.537 5.016 . 0 0 "[ . 1 . 2]" 1
1404 1 96 LYS HA 1 98 VAL QG . . 5.500 4.686 4.509 4.869 . 0 0 "[ . 1 . 2]" 1
1405 1 96 LYS HA 1 99 THR MG . . 5.350 3.056 2.228 3.424 . 0 0 "[ . 1 . 2]" 1
1406 1 96 LYS HB2 1 96 LYS QD . . 2.960 2.147 2.058 2.320 . 0 0 "[ . 1 . 2]" 1
1407 1 96 LYS HB2 1 96 LYS QE . . 3.840 3.786 2.956 3.943 0.103 12 0 "[ . 1 . 2]" 1
1408 1 96 LYS HB2 1 97 VAL H . . 4.440 2.907 2.499 3.110 . 0 0 "[ . 1 . 2]" 1
1409 1 96 LYS HB2 1 97 VAL QG . . 3.850 3.764 3.601 3.893 0.043 19 0 "[ . 1 . 2]" 1
1410 1 96 LYS HB3 1 96 LYS QE . . 4.260 4.032 2.916 4.349 0.089 10 0 "[ . 1 . 2]" 1
1411 1 96 LYS HB3 1 97 VAL H . . 4.290 3.454 3.137 3.617 . 0 0 "[ . 1 . 2]" 1
1412 1 96 LYS HB3 1 97 VAL HA . . 4.180 4.222 4.011 4.266 0.086 19 0 "[ . 1 . 2]" 1
1413 1 96 LYS HB3 1 100 LYS H . . 4.960 4.782 4.527 5.023 0.063 11 0 "[ . 1 . 2]" 1
1414 1 96 LYS QE 1 96 LYS HG2 . . 3.670 2.269 2.069 2.468 . 0 0 "[ . 1 . 2]" 1
1415 1 96 LYS QE 1 96 LYS HG3 . . 3.350 2.811 2.138 3.335 . 0 0 "[ . 1 . 2]" 1
1416 1 96 LYS HG3 1 99 THR HB . . 5.500 5.286 4.085 5.586 0.086 3 0 "[ . 1 . 2]" 1
1417 1 96 LYS HG3 1 99 THR MG . . 3.920 3.963 3.337 4.040 0.120 14 0 "[ . 1 . 2]" 1
1418 1 97 VAL H 1 98 VAL H . . 5.500 2.876 2.774 2.960 . 0 0 "[ . 1 . 2]" 1
1419 1 97 VAL HA 1 98 VAL HA . . 5.500 4.600 4.427 4.656 . 0 0 "[ . 1 . 2]" 1
1420 1 97 VAL HB 1 98 VAL HA . . 5.150 4.492 3.549 5.251 0.101 20 0 "[ . 1 . 2]" 1
1421 1 97 VAL QG 1 98 VAL HA . . 5.030 3.139 2.917 3.724 . 0 0 "[ . 1 . 2]" 1
1422 1 97 VAL QG 1 98 VAL HB . . 5.500 3.503 2.594 5.008 . 0 0 "[ . 1 . 2]" 1
1423 1 97 VAL QG 1 101 VAL QG . . 4.670 3.234 2.301 3.569 . 0 0 "[ . 1 . 2]" 1
1424 1 98 VAL HA 1 99 THR HA . . 5.130 4.834 4.721 4.987 . 0 0 "[ . 1 . 2]" 1
1425 1 98 VAL HA 1 101 VAL HA . . 5.500 5.317 4.922 5.578 0.078 19 0 "[ . 1 . 2]" 1
1426 1 98 VAL HA 1 101 VAL HB . . 3.870 3.328 2.697 3.953 0.083 10 0 "[ . 1 . 2]" 1
1427 1 98 VAL HA 1 101 VAL QG . . 4.300 2.089 1.855 2.350 . 0 0 "[ . 1 . 2]" 1
1428 1 98 VAL HA 1 102 ILE H . . 4.920 3.882 3.572 4.185 . 0 0 "[ . 1 . 2]" 1
1429 1 98 VAL QG 1 99 THR HA . . 4.400 3.334 3.061 3.618 . 0 0 "[ . 1 . 2]" 1
1430 1 98 VAL QG 1 101 VAL QG . . 5.090 2.517 2.190 3.090 . 0 0 "[ . 1 . 2]" 1
1431 1 98 VAL QG 1 102 ILE H . . 5.500 3.860 3.540 4.575 . 0 0 "[ . 1 . 2]" 1
1432 1 98 VAL QG 1 102 ILE HB . . 5.500 3.930 3.668 4.558 . 0 0 "[ . 1 . 2]" 1
1433 1 98 VAL QG 1 102 ILE MD . . 3.000 2.024 1.903 2.574 . 0 0 "[ . 1 . 2]" 1
1434 1 98 VAL QG 1 102 ILE HG12 . . 5.500 3.913 3.626 4.491 . 0 0 "[ . 1 . 2]" 1
1435 1 98 VAL QG 1 102 ILE MG . . 5.500 4.284 4.140 4.652 . 0 0 "[ . 1 . 2]" 1
1436 1 99 THR H 1 100 LYS H . . 5.500 2.865 2.691 3.005 . 0 0 "[ . 1 . 2]" 1
1437 1 99 THR HA 1 99 THR MG . . 3.570 2.553 2.414 2.727 . 0 0 "[ . 1 . 2]" 1
1438 1 99 THR HA 1 102 ILE H . . 5.500 3.827 3.560 3.972 . 0 0 "[ . 1 . 2]" 1
1439 1 99 THR HA 1 102 ILE HB . . 4.400 2.983 2.819 3.186 . 0 0 "[ . 1 . 2]" 1
1440 1 99 THR HA 1 102 ILE MD . . 4.970 3.203 2.850 3.548 . 0 0 "[ . 1 . 2]" 1
1441 1 99 THR HA 1 102 ILE MG . . 5.500 4.014 3.821 4.161 . 0 0 "[ . 1 . 2]" 1
1442 1 99 THR HA 1 103 ARG H . . 5.500 3.897 3.532 4.045 . 0 0 "[ . 1 . 2]" 1
1443 1 99 THR HA 1 103 ARG QD . . 3.740 3.665 3.163 3.841 0.101 7 0 "[ . 1 . 2]" 1
1444 1 99 THR HB 1 100 LYS H . . 5.500 3.574 2.681 4.015 . 0 0 "[ . 1 . 2]" 1
1445 1 99 THR MG 1 100 LYS HG2 . . 5.500 5.631 3.771 6.412 0.912 1 9 "[+ * .* ***- ** 2]" 1
1446 1 99 THR MG 1 102 ILE MD . . 4.670 4.356 3.844 4.809 0.139 5 0 "[ . 1 . 2]" 1
1447 1 99 THR MG 1 102 ILE MG . . 5.130 5.123 4.755 5.248 0.118 16 0 "[ . 1 . 2]" 1
1448 1 99 THR MG 1 103 ARG QD . . 4.310 3.783 2.095 4.406 0.096 15 0 "[ . 1 . 2]" 1
1449 1 99 THR MG 1 103 ARG HE . . 5.500 4.335 2.921 5.236 . 0 0 "[ . 1 . 2]" 1
1450 1 100 LYS H 1 101 VAL HA . . 5.500 5.348 5.255 5.484 . 0 0 "[ . 1 . 2]" 1
1451 1 100 LYS H 1 103 ARG HB2 . . 4.800 4.857 4.748 4.883 0.083 2 0 "[ . 1 . 2]" 1
1452 1 100 LYS HA 1 100 LYS QD . . 4.560 3.670 2.253 4.269 . 0 0 "[ . 1 . 2]" 1
1453 1 100 LYS HA 1 100 LYS QE . . 4.630 4.186 3.426 4.573 . 0 0 "[ . 1 . 2]" 1
1454 1 100 LYS HB2 1 100 LYS QE . . 5.010 3.052 2.296 3.988 . 0 0 "[ . 1 . 2]" 1
1455 1 100 LYS HB2 1 101 VAL HB . . 5.500 4.965 4.282 5.883 0.383 20 0 "[ . 1 . 2]" 1
1456 1 100 LYS HB3 1 100 LYS QD . . 3.100 2.733 2.242 3.144 0.044 10 0 "[ . 1 . 2]" 1
1457 1 100 LYS HB3 1 100 LYS QE . . 3.310 2.554 2.033 3.635 0.325 20 0 "[ . 1 . 2]" 1
1458 1 100 LYS QD 1 100 LYS HG2 . . 2.590 2.301 2.139 2.560 . 0 0 "[ . 1 . 2]" 1
1459 1 100 LYS QE 1 100 LYS HG2 . . 3.570 2.946 2.113 3.496 . 0 0 "[ . 1 . 2]" 1
1460 1 100 LYS QE 1 100 LYS HG3 . . 3.490 2.923 2.186 3.560 0.070 14 0 "[ . 1 . 2]" 1
1461 1 101 VAL H 1 102 ILE H . . 4.800 2.818 2.605 2.939 . 0 0 "[ . 1 . 2]" 1
1462 1 101 VAL H 1 104 GLU H . . 5.020 4.748 4.624 4.905 . 0 0 "[ . 1 . 2]" 1
1463 1 101 VAL HA 1 105 MET H . . 5.500 3.973 3.656 4.394 . 0 0 "[ . 1 . 2]" 1
1464 1 101 VAL HB 1 102 ILE H . . 4.570 3.432 2.097 3.998 . 0 0 "[ . 1 . 2]" 1
1465 1 101 VAL HB 1 102 ILE MD . . 5.500 5.068 3.153 5.615 0.115 13 0 "[ . 1 . 2]" 1
1466 1 101 VAL HB 1 105 MET ME . . 5.500 4.031 2.316 5.029 . 0 0 "[ . 1 . 2]" 1
1467 1 101 VAL QG 1 102 ILE H . . 4.240 2.413 2.128 3.018 . 0 0 "[ . 1 . 2]" 1
1468 1 101 VAL QG 1 102 ILE HA . . 5.400 3.345 3.048 4.171 . 0 0 "[ . 1 . 2]" 1
1469 1 101 VAL QG 1 102 ILE MD . . 3.910 3.264 2.965 3.869 . 0 0 "[ . 1 . 2]" 1
1470 1 101 VAL QG 1 102 ILE HG13 . . 5.500 2.440 2.034 4.033 . 0 0 "[ . 1 . 2]" 1
1471 1 101 VAL QG 1 105 MET ME . . 3.920 2.061 1.768 2.906 . 0 0 "[ . 1 . 2]" 1
1472 1 102 ILE H 1 102 ILE HB . . 3.660 2.160 2.032 2.301 . 0 0 "[ . 1 . 2]" 1
1473 1 102 ILE H 1 102 ILE MD . . 4.490 3.236 2.400 3.453 . 0 0 "[ . 1 . 2]" 1
1474 1 102 ILE H 1 102 ILE HG12 . . 4.080 3.687 3.501 3.908 . 0 0 "[ . 1 . 2]" 1
1475 1 102 ILE H 1 102 ILE HG13 . . 3.830 2.399 2.141 2.919 . 0 0 "[ . 1 . 2]" 1
1476 1 102 ILE H 1 102 ILE MG . . 4.420 3.607 3.519 3.692 . 0 0 "[ . 1 . 2]" 1
1477 1 102 ILE H 1 103 ARG HA . . 5.390 5.326 5.176 5.412 0.022 6 0 "[ . 1 . 2]" 1
1478 1 102 ILE H 1 103 ARG HB2 . . 5.460 4.683 4.519 4.860 . 0 0 "[ . 1 . 2]" 1
1479 1 102 ILE H 1 105 MET ME . . 5.500 3.909 3.528 4.177 . 0 0 "[ . 1 . 2]" 1
1480 1 102 ILE HA 1 102 ILE MD . . 4.470 3.821 3.572 3.934 . 0 0 "[ . 1 . 2]" 1
1481 1 102 ILE HA 1 102 ILE HG12 . . 4.230 2.640 2.440 3.196 . 0 0 "[ . 1 . 2]" 1
1482 1 102 ILE HA 1 103 ARG HA . . 4.720 4.775 4.738 4.789 0.069 4 0 "[ . 1 . 2]" 1
1483 1 102 ILE HA 1 105 MET HB2 . . 5.100 2.723 2.321 3.486 . 0 0 "[ . 1 . 2]" 1
1484 1 102 ILE HA 1 105 MET ME . . 4.110 2.382 2.082 3.079 . 0 0 "[ . 1 . 2]" 1
1485 1 102 ILE HA 1 106 CYS H . . 4.320 4.153 3.930 4.393 0.073 12 0 "[ . 1 . 2]" 1
1486 1 102 ILE HB 1 103 ARG HG3 . . 5.050 4.652 3.865 5.128 0.078 18 0 "[ . 1 . 2]" 1
1487 1 102 ILE MD 1 102 ILE MG . . 3.720 2.160 2.061 2.654 . 0 0 "[ . 1 . 2]" 1
1488 1 102 ILE MD 1 105 MET ME . . 4.600 4.389 3.845 4.737 0.137 16 0 "[ . 1 . 2]" 1
1489 1 102 ILE HG13 1 105 MET ME . . 5.500 3.422 2.881 3.725 . 0 0 "[ . 1 . 2]" 1
1490 1 102 ILE MG 1 103 ARG HA . . 4.820 3.413 3.217 3.702 . 0 0 "[ . 1 . 2]" 1
1491 1 102 ILE MG 1 103 ARG HE . . 5.500 5.468 4.945 5.602 0.102 5 0 "[ . 1 . 2]" 1
1492 1 102 ILE MG 1 105 MET HB3 . . 5.500 5.117 4.109 5.586 0.086 14 0 "[ . 1 . 2]" 1
1493 1 102 ILE MG 1 105 MET ME . . 5.330 4.110 3.769 4.872 . 0 0 "[ . 1 . 2]" 1
1494 1 102 ILE MG 1 106 CYS H . . 4.600 4.296 4.060 4.540 . 0 0 "[ . 1 . 2]" 1
1495 1 103 ARG H 1 103 ARG HG3 . . 5.500 3.123 2.557 3.590 . 0 0 "[ . 1 . 2]" 1
1496 1 103 ARG H 1 104 GLU H . . 3.540 2.869 2.746 2.953 . 0 0 "[ . 1 . 2]" 1
1497 1 103 ARG H 1 105 MET ME . . 5.500 5.247 4.934 5.481 . 0 0 "[ . 1 . 2]" 1
1498 1 103 ARG HA 1 103 ARG QD . . 5.090 3.836 3.385 4.082 . 0 0 "[ . 1 . 2]" 1
1499 1 103 ARG HA 1 106 CYS H . . 3.300 3.362 3.287 3.387 0.087 12 0 "[ . 1 . 2]" 1
1500 1 103 ARG HA 1 107 VAL H . . 4.890 4.242 4.058 4.502 . 0 0 "[ . 1 . 2]" 1
1501 1 103 ARG HA 1 107 VAL MG2 . . 5.500 3.934 3.719 4.106 . 0 0 "[ . 1 . 2]" 1
1502 1 103 ARG HB2 1 103 ARG HE . . 5.460 3.752 1.969 4.733 . 0 0 "[ . 1 . 2]" 1
1503 1 103 ARG HB3 1 103 ARG HE . . 5.500 4.352 3.062 5.096 . 0 0 "[ . 1 . 2]" 1
1504 1 103 ARG HB3 1 104 GLU H . . 3.730 3.213 2.926 3.727 . 0 0 "[ . 1 . 2]" 1
1505 1 103 ARG HB3 1 107 VAL MG2 . . 5.500 3.466 3.193 3.989 . 0 0 "[ . 1 . 2]" 1
1506 1 103 ARG QD 1 107 VAL MG2 . . 5.500 5.468 5.026 5.637 0.137 18 0 "[ . 1 . 2]" 1
1507 1 103 ARG HG2 1 107 VAL MG2 . . 5.500 4.527 4.257 4.776 . 0 0 "[ . 1 . 2]" 1
1508 1 103 ARG HG3 1 107 VAL MG2 . . 5.500 5.207 4.582 5.617 0.117 19 0 "[ . 1 . 2]" 1
1509 1 104 GLU H 1 104 GLU QG . . 4.750 3.980 3.878 4.106 . 0 0 "[ . 1 . 2]" 1
1510 1 104 GLU H 1 105 MET HA . . 5.500 5.372 5.119 5.471 . 0 0 "[ . 1 . 2]" 1
1511 1 104 GLU H 1 105 MET HB2 . . 5.500 4.748 4.538 4.920 . 0 0 "[ . 1 . 2]" 1
1512 1 104 GLU H 1 105 MET ME . . 5.500 5.269 4.925 5.574 0.074 5 0 "[ . 1 . 2]" 1
1513 1 104 GLU H 1 106 CYS H . . 4.410 4.291 4.058 4.419 0.009 7 0 "[ . 1 . 2]" 1
1514 1 104 GLU H 1 107 VAL HB . . 5.500 5.518 5.300 5.594 0.094 10 0 "[ . 1 . 2]" 1
1515 1 104 GLU HA 1 106 CYS H . . 5.500 4.501 4.282 4.775 . 0 0 "[ . 1 . 2]" 1
1516 1 104 GLU HA 1 107 VAL H . . 4.080 3.372 2.978 3.669 . 0 0 "[ . 1 . 2]" 1
1517 1 104 GLU HA 1 107 VAL HB . . 4.090 2.902 2.590 3.133 . 0 0 "[ . 1 . 2]" 1
1518 1 104 GLU HA 1 107 VAL MG2 . . 4.260 2.657 2.218 3.085 . 0 0 "[ . 1 . 2]" 1
1519 1 104 GLU QG 1 107 VAL HB . . 5.000 3.732 3.025 4.551 . 0 0 "[ . 1 . 2]" 1
1520 1 104 GLU QG 1 108 GLN QE . . 3.800 2.433 1.875 3.294 . 0 0 "[ . 1 . 2]" 1
1521 1 105 MET H 1 105 MET ME . . 5.500 3.547 3.118 3.812 . 0 0 "[ . 1 . 2]" 1
1522 1 105 MET H 1 105 MET HG3 . . 5.500 3.515 2.278 4.219 . 0 0 "[ . 1 . 2]" 1
1523 1 105 MET H 1 106 CYS H . . 5.500 2.834 2.602 2.942 . 0 0 "[ . 1 . 2]" 1
1524 1 105 MET H 1 106 CYS QB . . 5.500 4.816 4.467 5.064 . 0 0 "[ . 1 . 2]" 1
1525 1 105 MET HA 1 105 MET ME . . 5.500 4.301 4.023 4.442 . 0 0 "[ . 1 . 2]" 1
1526 1 105 MET HA 1 107 VAL H . . 5.490 4.185 3.731 4.463 . 0 0 "[ . 1 . 2]" 1
1527 1 105 MET HA 1 107 VAL MG2 . . 5.500 5.534 5.364 5.608 0.108 12 0 "[ . 1 . 2]" 1
1528 1 105 MET HA 1 108 GLN H . . 4.990 3.096 2.727 3.396 . 0 0 "[ . 1 . 2]" 1
1529 1 105 MET HA 1 108 GLN QB . . 3.870 2.128 1.963 2.411 . 0 0 "[ . 1 . 2]" 1
1530 1 105 MET HA 1 108 GLN HG2 . . 3.820 3.481 2.147 3.980 0.160 12 0 "[ . 1 . 2]" 1
1531 1 105 MET HA 1 109 GLN H . . 5.500 3.966 3.608 4.299 . 0 0 "[ . 1 . 2]" 1
1532 1 105 MET HB2 1 105 MET ME . . 3.950 2.292 2.129 2.540 . 0 0 "[ . 1 . 2]" 1
1533 1 105 MET HB2 1 106 CYS H . . 3.840 3.039 2.693 3.769 . 0 0 "[ . 1 . 2]" 1
1534 1 105 MET HB2 1 108 GLN H . . 5.500 5.458 5.258 5.572 0.072 5 0 "[ . 1 . 2]" 1
1535 1 105 MET HB3 1 106 CYS H . . 4.240 3.284 2.787 3.912 . 0 0 "[ . 1 . 2]" 1
1536 1 105 MET HB3 1 109 GLN QB . . 5.500 4.805 3.938 5.428 . 0 0 "[ . 1 . 2]" 1
1537 1 105 MET ME 1 105 MET HG3 . . 3.940 3.116 2.164 3.357 . 0 0 "[ . 1 . 2]" 1
1538 1 105 MET ME 1 108 GLN QB . . 5.500 5.609 5.517 5.641 0.141 9 0 "[ . 1 . 2]" 1
1539 1 106 CYS H 1 106 CYS QB . . 3.750 2.389 2.038 2.590 . 0 0 "[ . 1 . 2]" 1
1540 1 106 CYS H 1 107 VAL H . . 3.520 2.681 2.529 2.791 . 0 0 "[ . 1 . 2]" 1
1541 1 106 CYS H 1 107 VAL HB . . 5.240 5.161 4.959 5.279 0.039 18 0 "[ . 1 . 2]" 1
1542 1 106 CYS H 1 107 VAL MG2 . . 4.540 4.147 3.911 4.265 . 0 0 "[ . 1 . 2]" 1
1543 1 106 CYS H 1 108 GLN H . . 5.230 4.123 4.000 4.291 . 0 0 "[ . 1 . 2]" 1
1544 1 106 CYS HA 1 109 GLN H . . 4.120 3.391 2.805 3.597 . 0 0 "[ . 1 . 2]" 1
1545 1 106 CYS HA 1 109 GLN QB . . 3.650 3.229 2.589 3.739 0.089 20 0 "[ . 1 . 2]" 1
1546 1 106 CYS HA 1 110 TYR H . . 5.500 4.095 3.670 4.505 . 0 0 "[ . 1 . 2]" 1
1547 1 106 CYS QB 1 107 VAL H . . 4.380 2.787 2.453 3.104 . 0 0 "[ . 1 . 2]" 1
1548 1 106 CYS QB 1 107 VAL HA . . 4.540 4.094 3.902 4.444 . 0 0 "[ . 1 . 2]" 1
1549 1 106 CYS QB 1 109 GLN H . . 5.500 4.880 4.707 5.045 . 0 0 "[ . 1 . 2]" 1
1550 1 107 VAL H 1 107 VAL HB . . 3.060 2.718 2.612 2.847 . 0 0 "[ . 1 . 2]" 1
1551 1 107 VAL H 1 107 VAL MG1 . . 3.930 3.854 3.816 3.893 . 0 0 "[ . 1 . 2]" 1
1552 1 107 VAL H 1 107 VAL MG2 . . 3.080 2.231 2.051 2.505 . 0 0 "[ . 1 . 2]" 1
1553 1 107 VAL H 1 108 GLN H . . 3.850 2.534 2.247 2.818 . 0 0 "[ . 1 . 2]" 1
1554 1 107 VAL H 1 109 GLN QB . . 5.500 5.409 4.920 5.601 0.101 17 0 "[ . 1 . 2]" 1
1555 1 107 VAL HA 1 107 VAL MG1 . . 3.690 2.349 2.261 2.425 . 0 0 "[ . 1 . 2]" 1
1556 1 107 VAL HA 1 107 VAL MG2 . . 3.240 2.589 2.505 2.693 . 0 0 "[ . 1 . 2]" 1
1557 1 107 VAL HA 1 110 TYR H . . 4.620 3.397 3.170 3.732 . 0 0 "[ . 1 . 2]" 1
1558 1 107 VAL HA 1 110 TYR HB2 . . 3.820 3.190 2.442 3.736 . 0 0 "[ . 1 . 2]" 1
1559 1 107 VAL HA 1 110 TYR HB3 . . 4.440 2.774 2.348 3.193 . 0 0 "[ . 1 . 2]" 1
1560 1 107 VAL HA 1 111 ARG H . . 5.500 4.026 3.835 4.269 . 0 0 "[ . 1 . 2]" 1
1561 1 107 VAL HB 1 108 GLN H . . 3.760 2.624 2.449 2.974 . 0 0 "[ . 1 . 2]" 1
1562 1 107 VAL HB 1 108 GLN QE . . 4.580 4.036 2.409 4.519 . 0 0 "[ . 1 . 2]" 1
1563 1 107 VAL HB 1 109 GLN H . . 5.500 5.089 4.855 5.425 . 0 0 "[ . 1 . 2]" 1
1564 1 107 VAL HB 1 111 ARG HB3 . . 5.310 5.380 5.275 5.405 0.095 10 0 "[ . 1 . 2]" 1
1565 1 107 VAL HB 1 111 ARG QD . . 5.500 4.574 4.154 4.982 . 0 0 "[ . 1 . 2]" 1
1566 1 107 VAL MG1 1 108 GLN H . . 4.310 3.707 3.541 3.912 . 0 0 "[ . 1 . 2]" 1
1567 1 107 VAL MG1 1 109 GLN H . . 5.500 5.148 4.926 5.309 . 0 0 "[ . 1 . 2]" 1
1568 1 107 VAL MG1 1 111 ARG QD . . 4.710 3.290 2.711 3.792 . 0 0 "[ . 1 . 2]" 1
1569 1 107 VAL MG1 1 111 ARG HG2 . . 5.080 4.110 3.600 4.805 . 0 0 "[ . 1 . 2]" 1
1570 1 107 VAL MG2 1 108 GLN H . . 4.110 3.795 3.702 4.037 . 0 0 "[ . 1 . 2]" 1
1571 1 108 GLN H 1 108 GLN HG2 . . 4.880 3.164 2.318 4.408 . 0 0 "[ . 1 . 2]" 1
1572 1 108 GLN H 1 108 GLN HG3 . . 4.190 3.890 3.199 4.280 0.090 18 0 "[ . 1 . 2]" 1
1573 1 108 GLN H 1 109 GLN H . . 3.530 2.802 2.693 2.919 . 0 0 "[ . 1 . 2]" 1
1574 1 108 GLN H 1 109 GLN QB . . 5.500 4.796 4.573 4.931 . 0 0 "[ . 1 . 2]" 1
1575 1 108 GLN H 1 109 GLN QG . . 5.500 4.732 4.400 5.541 0.041 10 0 "[ . 1 . 2]" 1
1576 1 108 GLN H 1 110 TYR H . . 5.500 4.269 4.046 4.494 . 0 0 "[ . 1 . 2]" 1
1577 1 108 GLN H 1 111 ARG HG2 . . 5.500 4.616 4.209 5.364 . 0 0 "[ . 1 . 2]" 1
1578 1 108 GLN HA 1 108 GLN HG3 . . 3.690 3.266 2.410 3.817 0.127 8 0 "[ . 1 . 2]" 1
1579 1 108 GLN HA 1 109 GLN QB . . 5.500 5.362 5.177 5.515 0.015 4 0 "[ . 1 . 2]" 1
1580 1 108 GLN HA 1 109 GLN QG . . 5.500 5.439 4.893 5.612 0.112 7 0 "[ . 1 . 2]" 1
1581 1 108 GLN HA 1 110 TYR H . . 4.960 4.582 4.162 4.924 . 0 0 "[ . 1 . 2]" 1
1582 1 108 GLN HA 1 111 ARG H . . 4.500 3.500 3.227 3.773 . 0 0 "[ . 1 . 2]" 1
1583 1 108 GLN HA 1 111 ARG HB3 . . 5.480 3.867 3.467 4.153 . 0 0 "[ . 1 . 2]" 1
1584 1 108 GLN HA 1 111 ARG QD . . 4.340 2.264 2.078 2.732 . 0 0 "[ . 1 . 2]" 1
1585 1 108 GLN HA 1 111 ARG HG2 . . 5.500 2.179 1.957 2.715 . 0 0 "[ . 1 . 2]" 1
1586 1 108 GLN HA 1 111 ARG HG3 . . 5.500 3.574 3.091 4.268 . 0 0 "[ . 1 . 2]" 1
1587 1 108 GLN QB 1 108 GLN HG3 . . 2.710 2.223 2.124 2.365 . 0 0 "[ . 1 . 2]" 1
1588 1 108 GLN QB 1 109 GLN H . . 3.620 2.883 2.603 3.190 . 0 0 "[ . 1 . 2]" 1
1589 1 108 GLN QB 1 111 ARG QD . . 5.440 3.804 3.253 4.597 . 0 0 "[ . 1 . 2]" 1
1590 1 108 GLN QB 1 111 ARG HG2 . . 5.500 4.057 3.822 4.384 . 0 0 "[ . 1 . 2]" 1
1591 1 108 GLN QB 1 112 GLU H . . 5.380 5.134 4.714 5.454 0.074 18 0 "[ . 1 . 2]" 1
1592 1 108 GLN QB 1 112 GLU QG . . 5.130 4.277 3.308 5.237 0.107 10 0 "[ . 1 . 2]" 1
1593 1 108 GLN QE 1 111 ARG QD . . 4.890 3.391 2.396 4.382 . 0 0 "[ . 1 . 2]" 1
1594 1 109 GLN H 1 109 GLN QB . . 2.980 2.316 2.126 2.467 . 0 0 "[ . 1 . 2]" 1
1595 1 109 GLN H 1 110 TYR H . . 3.920 2.570 2.386 2.662 . 0 0 "[ . 1 . 2]" 1
1596 1 109 GLN H 1 110 TYR HA . . 5.050 5.112 4.974 5.134 0.084 17 0 "[ . 1 . 2]" 1
1597 1 109 GLN H 1 111 ARG H . . 4.960 4.158 3.836 4.338 . 0 0 "[ . 1 . 2]" 1
1598 1 109 GLN H 1 111 ARG HG2 . . 5.000 4.585 4.254 5.046 0.046 7 0 "[ . 1 . 2]" 1
1599 1 109 GLN HA 1 111 ARG HG2 . . 4.790 4.698 4.338 4.867 0.077 17 0 "[ . 1 . 2]" 1
1600 1 109 GLN HA 1 112 GLU H . . 4.380 3.494 3.184 3.757 . 0 0 "[ . 1 . 2]" 1
1601 1 109 GLN HA 1 112 GLU HB2 . . 5.500 3.232 2.397 5.128 . 0 0 "[ . 1 . 2]" 1
1602 1 109 GLN HA 1 112 GLU HB3 . . 5.500 4.109 2.308 4.966 . 0 0 "[ . 1 . 2]" 1
1603 1 109 GLN QB 1 110 TYR H . . 4.000 3.141 2.246 3.553 . 0 0 "[ . 1 . 2]" 1
1604 1 109 GLN QB 1 112 GLU QG . . 5.500 4.692 3.250 5.592 0.092 19 0 "[ . 1 . 2]" 1
1605 1 109 GLN QG 1 111 ARG H . . 5.490 5.097 4.592 5.597 0.107 2 0 "[ . 1 . 2]" 1
1606 1 109 GLN QG 1 112 GLU H . . 5.500 5.262 4.816 5.579 0.079 18 0 "[ . 1 . 2]" 1
1607 1 109 GLN QG 1 113 TYR H . . 5.500 5.379 4.852 5.596 0.096 4 0 "[ . 1 . 2]" 1
1608 1 110 TYR H 1 110 TYR HB2 . . 3.980 2.280 2.072 2.632 . 0 0 "[ . 1 . 2]" 1
1609 1 110 TYR H 1 110 TYR HB3 . . 4.010 2.695 2.308 3.056 . 0 0 "[ . 1 . 2]" 1
1610 1 110 TYR H 1 110 TYR QD . . 4.200 4.032 3.613 4.234 0.034 9 0 "[ . 1 . 2]" 1
1611 1 110 TYR H 1 111 ARG H . . 3.710 2.890 2.662 3.049 . 0 0 "[ . 1 . 2]" 1
1612 1 110 TYR H 1 113 TYR QD . . 4.920 4.974 4.756 5.026 0.106 4 0 "[ . 1 . 2]" 1
1613 1 110 TYR HA 1 110 TYR QD . . 4.440 2.878 2.073 3.145 . 0 0 "[ . 1 . 2]" 1
1614 1 110 TYR HA 1 112 GLU H . . 5.180 4.344 4.106 4.643 . 0 0 "[ . 1 . 2]" 1
1615 1 110 TYR HA 1 113 TYR QB . . 4.020 2.611 2.251 3.599 . 0 0 "[ . 1 . 2]" 1
1616 1 110 TYR HA 1 113 TYR QD . . 3.800 2.299 2.180 2.422 . 0 0 "[ . 1 . 2]" 1
1617 1 110 TYR HA 1 113 TYR QE . . 5.500 4.260 2.447 4.685 . 0 0 "[ . 1 . 2]" 1
1618 1 110 TYR HB2 1 111 ARG H . . 4.830 3.824 3.641 4.030 . 0 0 "[ . 1 . 2]" 1
1619 1 110 TYR HB2 1 113 TYR QD . . 5.500 4.297 3.782 4.736 . 0 0 "[ . 1 . 2]" 1
1620 1 110 TYR HB3 1 111 ARG H . . 4.540 2.684 2.503 2.867 . 0 0 "[ . 1 . 2]" 1
1621 1 110 TYR QD 1 111 ARG H . . 5.500 3.829 2.759 4.428 . 0 0 "[ . 1 . 2]" 1
1622 1 110 TYR QD 1 113 TYR QD . . 5.500 3.151 2.450 3.618 . 0 0 "[ . 1 . 2]" 1
1623 1 110 TYR QE 1 113 TYR QD . . 3.900 3.900 3.584 4.011 0.111 14 0 "[ . 1 . 2]" 1
1624 1 110 TYR QE 1 114 ARG QD . . 5.500 2.758 2.275 3.899 . 0 0 "[ . 1 . 2]" 1
1625 1 110 TYR QE 1 114 ARG QG . . 5.500 3.168 2.304 4.429 . 0 0 "[ . 1 . 2]" 1
1626 1 111 ARG H 1 111 ARG HB2 . . 3.780 3.599 3.512 3.682 . 0 0 "[ . 1 . 2]" 1
1627 1 111 ARG H 1 111 ARG HB3 . . 3.600 2.441 2.244 2.652 . 0 0 "[ . 1 . 2]" 1
1628 1 111 ARG H 1 111 ARG QD . . 3.790 3.773 3.572 3.897 0.107 3 0 "[ . 1 . 2]" 1
1629 1 111 ARG H 1 111 ARG HE . . 5.120 5.108 3.750 5.209 0.089 16 0 "[ . 1 . 2]" 1
1630 1 111 ARG H 1 111 ARG HG2 . . 4.410 2.316 1.993 2.715 . 0 0 "[ . 1 . 2]" 1
1631 1 111 ARG H 1 111 ARG HG3 . . 5.430 3.540 3.115 3.935 . 0 0 "[ . 1 . 2]" 1
1632 1 111 ARG H 1 112 GLU H . . 3.650 2.667 2.462 2.838 . 0 0 "[ . 1 . 2]" 1
1633 1 111 ARG H 1 113 TYR H . . 5.500 4.127 3.820 4.553 . 0 0 "[ . 1 . 2]" 1
1634 1 111 ARG H 1 113 TYR QB . . 5.500 4.927 4.391 5.406 . 0 0 "[ . 1 . 2]" 1
1635 1 111 ARG H 1 114 ARG H . . 5.500 4.776 4.608 5.036 . 0 0 "[ . 1 . 2]" 1
1636 1 111 ARG HA 1 111 ARG QD . . 4.580 4.466 4.286 4.644 0.064 3 0 "[ . 1 . 2]" 1
1637 1 111 ARG HA 1 111 ARG HG2 . . 3.830 3.758 3.700 3.842 0.012 10 0 "[ . 1 . 2]" 1
1638 1 111 ARG HA 1 111 ARG HG3 . . 3.880 3.730 3.574 3.804 . 0 0 "[ . 1 . 2]" 1
1639 1 111 ARG HA 1 114 ARG H . . 5.460 3.388 3.011 3.640 . 0 0 "[ . 1 . 2]" 1
1640 1 111 ARG HA 1 114 ARG HB2 . . 5.500 2.571 2.035 3.594 . 0 0 "[ . 1 . 2]" 1
1641 1 111 ARG HA 1 114 ARG HB3 . . 4.960 4.125 3.625 5.014 0.054 6 0 "[ . 1 . 2]" 1
1642 1 111 ARG HB2 1 111 ARG QD . . 3.870 2.778 2.396 3.119 . 0 0 "[ . 1 . 2]" 1
1643 1 111 ARG HB2 1 111 ARG HE . . 5.500 2.924 2.189 4.871 . 0 0 "[ . 1 . 2]" 1
1644 1 111 ARG HB3 1 111 ARG QD . . 3.370 2.458 2.284 3.106 . 0 0 "[ . 1 . 2]" 1
1645 1 111 ARG HB3 1 111 ARG HE . . 5.500 3.654 1.824 4.542 . 0 0 "[ . 1 . 2]" 1
1646 1 111 ARG HB3 1 111 ARG HG3 . . 3.020 3.049 3.029 3.067 0.047 15 0 "[ . 1 . 2]" 1
1647 1 111 ARG QD 1 112 GLU H . . 5.500 4.347 4.095 4.791 . 0 0 "[ . 1 . 2]" 1
1648 1 111 ARG HG3 1 112 GLU HA . . 5.500 3.581 3.331 3.931 . 0 0 "[ . 1 . 2]" 1
1649 1 112 GLU H 1 112 GLU HB2 . . 3.420 2.577 1.978 3.675 0.255 2 0 "[ . 1 . 2]" 1
1650 1 112 GLU H 1 112 GLU QG . . 4.380 2.725 2.176 3.950 . 0 0 "[ . 1 . 2]" 1
1651 1 112 GLU H 1 113 TYR H . . 3.390 2.561 2.330 2.880 . 0 0 "[ . 1 . 2]" 1
1652 1 112 GLU H 1 113 TYR HA . . 5.500 5.176 4.965 5.353 . 0 0 "[ . 1 . 2]" 1
1653 1 112 GLU H 1 113 TYR QB . . 5.500 4.231 3.890 4.802 . 0 0 "[ . 1 . 2]" 1
1654 1 112 GLU H 1 114 ARG H . . 5.480 4.047 3.829 4.221 . 0 0 "[ . 1 . 2]" 1
1655 1 112 GLU HA 1 112 GLU QG . . 3.830 2.877 2.346 3.487 . 0 0 "[ . 1 . 2]" 1
1656 1 112 GLU HA 1 113 TYR HA . . 4.690 4.759 4.710 4.781 0.091 2 0 "[ . 1 . 2]" 1
1657 1 112 GLU HA 1 114 ARG HB2 . . 5.000 4.975 4.525 5.091 0.091 5 0 "[ . 1 . 2]" 1
1658 1 112 GLU HA 1 115 LEU H . . 5.440 3.327 2.999 3.742 . 0 0 "[ . 1 . 2]" 1
1659 1 112 GLU HA 1 115 LEU HB3 . . 5.500 3.112 2.548 3.882 . 0 0 "[ . 1 . 2]" 1
1660 1 112 GLU HB2 1 113 TYR H . . 3.930 3.210 2.497 4.348 0.418 11 0 "[ . 1 . 2]" 1
1661 1 113 TYR H 1 113 TYR QB . . 3.310 2.081 1.947 2.505 . 0 0 "[ . 1 . 2]" 1
1662 1 113 TYR H 1 113 TYR QD . . 4.040 3.619 2.784 4.087 0.047 2 0 "[ . 1 . 2]" 1
1663 1 113 TYR H 1 114 ARG H . . 2.640 2.566 2.311 2.726 0.086 4 0 "[ . 1 . 2]" 1
1664 1 113 TYR H 1 114 ARG QD . . 5.500 5.516 4.903 5.603 0.103 11 0 "[ . 1 . 2]" 1
1665 1 113 TYR H 1 115 LEU H . . 5.500 4.094 3.907 4.442 . 0 0 "[ . 1 . 2]" 1
1666 1 113 TYR HA 1 113 TYR QD . . 4.570 2.942 2.206 3.319 . 0 0 "[ . 1 . 2]" 1
1667 1 113 TYR HA 1 115 LEU H . . 5.500 4.199 3.521 4.942 . 0 0 "[ . 1 . 2]" 1
1668 1 113 TYR HA 1 116 ALA H . . 4.500 3.552 2.882 4.045 . 0 0 "[ . 1 . 2]" 1
1669 1 113 TYR HA 1 116 ALA MB . . 3.980 3.065 2.081 4.046 0.066 18 0 "[ . 1 . 2]" 1
1670 1 113 TYR QB 1 114 ARG H . . 3.790 2.900 2.103 3.235 . 0 0 "[ . 1 . 2]" 1
1671 1 113 TYR QD 1 114 ARG H . . 3.700 3.366 2.749 3.790 0.090 4 0 "[ . 1 . 2]" 1
1672 1 113 TYR QD 1 114 ARG HA . . 5.500 4.315 3.840 5.605 0.105 5 0 "[ . 1 . 2]" 1
1673 1 113 TYR QD 1 114 ARG QG . . 5.130 3.363 2.366 5.097 . 0 0 "[ . 1 . 2]" 1
1674 1 113 TYR QD 1 115 LEU H . . 5.500 5.426 5.046 5.582 0.082 10 0 "[ . 1 . 2]" 1
1675 1 113 TYR QE 1 114 ARG H . . 5.500 4.876 4.225 5.610 0.110 15 0 "[ . 1 . 2]" 1
1676 1 114 ARG H 1 114 ARG HB2 . . 3.450 2.377 2.034 2.676 . 0 0 "[ . 1 . 2]" 1
1677 1 114 ARG H 1 114 ARG HB3 . . 3.740 3.580 3.340 3.737 . 0 0 "[ . 1 . 2]" 1
1678 1 114 ARG H 1 114 ARG QD . . 4.830 3.510 2.743 3.865 . 0 0 "[ . 1 . 2]" 1
1679 1 114 ARG H 1 114 ARG QG . . 3.520 2.580 2.242 3.618 0.098 4 0 "[ . 1 . 2]" 1
1680 1 114 ARG H 1 115 LEU H . . 3.490 2.831 2.654 2.973 . 0 0 "[ . 1 . 2]" 1
1681 1 114 ARG H 1 115 LEU HB2 . . 5.500 4.956 4.488 5.462 . 0 0 "[ . 1 . 2]" 1
1682 1 114 ARG H 1 115 LEU HB3 . . 5.500 5.323 4.667 5.563 0.063 9 0 "[ . 1 . 2]" 1
1683 1 114 ARG H 1 116 ALA MB . . 5.170 5.064 4.658 5.261 0.091 14 0 "[ . 1 . 2]" 1
1684 1 114 ARG HA 1 114 ARG QD . . 3.800 2.552 2.082 3.913 0.113 14 0 "[ . 1 . 2]" 1
1685 1 114 ARG HA 1 114 ARG HE . . 4.100 3.332 1.847 4.196 0.096 2 0 "[ . 1 . 2]" 1
1686 1 114 ARG HA 1 114 ARG QG . . 3.970 2.749 2.003 3.184 . 0 0 "[ . 1 . 2]" 1
1687 1 114 ARG HA 1 115 LEU H . . 3.590 3.541 3.448 3.633 0.043 14 0 "[ . 1 . 2]" 1
1688 1 114 ARG HB2 1 114 ARG HE . . 4.090 3.370 1.813 3.868 . 0 0 "[ . 1 . 2]" 1
1689 1 114 ARG HB2 1 115 LEU H . . 4.330 2.930 2.401 3.726 . 0 0 "[ . 1 . 2]" 1
1690 1 114 ARG HB2 1 115 LEU HB2 . . 5.130 4.232 3.672 4.711 . 0 0 "[ . 1 . 2]" 1
1691 1 114 ARG HB3 1 114 ARG HE . . 5.050 2.165 1.865 3.181 . 0 0 "[ . 1 . 2]" 1
1692 1 114 ARG HB3 1 115 LEU H . . 4.530 3.626 2.882 4.121 . 0 0 "[ . 1 . 2]" 1
1693 1 114 ARG HB3 1 115 LEU HB2 . . 5.450 4.740 3.941 5.300 . 0 0 "[ . 1 . 2]" 1
1694 1 114 ARG HE 1 115 LEU H . . 5.500 5.424 4.785 5.576 0.076 10 0 "[ . 1 . 2]" 1
1695 1 114 ARG QG 1 115 LEU H . . 5.230 4.386 4.063 4.773 . 0 0 "[ . 1 . 2]" 1
1696 1 115 LEU H 1 115 LEU HB2 . . 2.960 2.430 2.057 2.821 . 0 0 "[ . 1 . 2]" 1
1697 1 115 LEU H 1 115 LEU HB3 . . 3.800 2.702 2.199 3.132 . 0 0 "[ . 1 . 2]" 1
1698 1 115 LEU H 1 115 LEU QD . . 5.080 3.699 3.121 3.883 . 0 0 "[ . 1 . 2]" 1
1699 1 115 LEU H 1 115 LEU HG . . 4.300 4.348 4.199 4.387 0.087 8 0 "[ . 1 . 2]" 1
1700 1 115 LEU H 1 116 ALA H . . 3.430 2.434 2.061 2.705 . 0 0 "[ . 1 . 2]" 1
1701 1 115 LEU H 1 116 ALA HA . . 4.810 4.734 4.339 4.893 0.083 1 0 "[ . 1 . 2]" 1
1702 1 115 LEU H 1 116 ALA MB . . 5.500 4.173 3.767 4.619 . 0 0 "[ . 1 . 2]" 1
1703 1 115 LEU HA 1 115 LEU QD . . 3.360 2.312 1.944 2.934 . 0 0 "[ . 1 . 2]" 1
1704 1 115 LEU HA 1 116 ALA HA . . 5.500 5.171 4.688 5.377 . 0 0 "[ . 1 . 2]" 1
1705 1 115 LEU HB2 1 115 LEU HG . . 2.400 2.571 2.302 3.061 0.661 20 5 "[ *.* -* . +]" 1
1706 1 115 LEU HB2 1 116 ALA H . . 3.810 3.592 3.192 4.228 0.418 4 0 "[ . 1 . 2]" 1
1707 1 115 LEU HB3 1 116 ALA H . . 4.740 2.551 2.134 3.282 . 0 0 "[ . 1 . 2]" 1
1708 1 115 LEU QD 1 116 ALA H . . 4.430 3.661 3.105 4.218 . 0 0 "[ . 1 . 2]" 1
1709 1 115 LEU QD 1 117 SER H . . 5.500 3.612 2.487 4.866 . 0 0 "[ . 1 . 2]" 1
1710 1 115 LEU HG 1 116 ALA H . . 5.240 4.580 3.223 5.296 0.056 1 0 "[ . 1 . 2]" 1
1711 1 116 ALA H 1 116 ALA MB . . 3.250 2.590 2.142 2.930 . 0 0 "[ . 1 . 2]" 1
1712 1 116 ALA MB 1 117 SER H . . 4.270 3.488 2.468 3.811 . 0 0 "[ . 1 . 2]" 1
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