NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517969 |
2l1d   |
17081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l1d
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 2859
_Distance_constraint_stats_list.Viol_count 6175
_Distance_constraint_stats_list.Viol_total 9234.423
_Distance_constraint_stats_list.Viol_max 0.947
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0748
_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 1.616 0.117 14 0 "[ . 1 . 2]"
1 2 SER 3.012 0.104 3 0 "[ . 1 . 2]"
1 3 VAL 3.312 0.097 16 0 "[ . 1 . 2]"
1 4 VAL 7.632 0.146 1 0 "[ . 1 . 2]"
1 5 GLY 2.031 0.102 18 0 "[ . 1 . 2]"
1 6 GLY 0.670 0.078 6 0 "[ . 1 . 2]"
1 7 LEU 9.415 0.104 19 0 "[ . 1 . 2]"
1 8 GLY 9.351 0.317 16 0 "[ . 1 . 2]"
1 9 GLY 9.291 0.317 16 0 "[ . 1 . 2]"
1 10 TYR 25.595 0.609 2 7 "[*+* . * - *.* 2]"
1 11 MET 6.882 0.412 1 0 "[ . 1 . 2]"
1 12 LEU 5.289 0.146 1 0 "[ . 1 . 2]"
1 13 GLY 4.171 0.659 9 2 "[ . +1 - 2]"
1 14 SER 7.078 0.147 13 0 "[ . 1 . 2]"
1 15 ALA 6.036 0.173 11 0 "[ . 1 . 2]"
1 16 MET 13.341 0.341 3 0 "[ . 1 . 2]"
1 17 SER 4.666 0.341 3 0 "[ . 1 . 2]"
1 18 ARG 4.466 0.508 8 1 "[ . + 1 . 2]"
1 19 PRO 4.108 0.118 12 0 "[ . 1 . 2]"
1 20 MET 12.924 0.449 13 0 "[ . 1 . 2]"
1 21 ILE 12.531 0.638 1 2 "[+ . 1 -. 2]"
1 22 HIS 6.082 0.122 7 0 "[ . 1 . 2]"
1 23 PHE 9.504 0.408 1 0 "[ . 1 . 2]"
1 24 GLY 1.854 0.079 18 0 "[ . 1 . 2]"
1 25 ASN 7.705 0.309 3 0 "[ . 1 . 2]"
1 26 ASP 2.349 0.091 20 0 "[ . 1 . 2]"
1 27 TRP 14.381 0.309 3 0 "[ . 1 . 2]"
1 28 GLU 10.388 0.101 16 0 "[ . 1 . 2]"
1 29 ASP 2.015 0.099 4 0 "[ . 1 . 2]"
1 30 ARG 9.297 0.109 4 0 "[ . 1 . 2]"
1 31 TYR 9.177 0.628 13 1 "[ . 1 + . 2]"
1 32 TYR 14.570 0.709 4 2 "[ +. 1 . - 2]"
1 33 ARG 5.970 0.122 17 0 "[ . 1 . 2]"
1 34 GLU 5.189 0.093 4 0 "[ . 1 . 2]"
1 35 ASN 10.092 0.709 4 3 "[ +. 1 * . - 2]"
1 36 MET 5.491 0.816 20 1 "[ . 1 . +]"
1 37 TYR 9.121 0.816 20 3 "[ . - * . +]"
1 38 ARG 3.592 0.517 10 1 "[ . + . 2]"
1 39 TYR 6.402 0.809 3 1 "[ + . 1 . 2]"
1 40 PRO 1.335 0.111 12 0 "[ . 1 . 2]"
1 41 ASN 3.252 0.191 1 0 "[ . 1 . 2]"
1 42 GLN 9.603 0.191 1 0 "[ . 1 . 2]"
1 43 VAL 2.480 0.122 18 0 "[ . 1 . 2]"
1 44 TYR 7.813 0.106 10 0 "[ . 1 . 2]"
1 45 TYR 7.474 0.412 1 0 "[ . 1 . 2]"
1 46 ARG 12.121 0.609 2 7 "[*+* . * - *.* 2]"
1 47 PRO 4.327 0.122 11 0 "[ . 1 . 2]"
1 48 VAL 4.203 0.307 19 0 "[ . 1 . 2]"
1 49 ASP 21.779 0.853 11 9 "[ *- * ** *+* . * 2]"
1 50 GLN 19.149 0.853 11 9 "[ *- * ** *+* . * 2]"
1 51 GLY 3.190 0.087 11 0 "[ . 1 . 2]"
1 52 SER 1.824 0.439 3 0 "[ . 1 . 2]"
1 53 ASN 3.899 0.103 3 0 "[ . 1 . 2]"
1 54 GLN 3.831 0.096 4 0 "[ . 1 . 2]"
1 55 ASN 5.790 0.114 19 0 "[ . 1 . 2]"
1 56 ASN 4.595 0.090 7 0 "[ . 1 . 2]"
1 57 PHE 9.065 0.752 3 1 "[ + . 1 . 2]"
1 58 VAL 1.988 0.114 19 0 "[ . 1 . 2]"
1 59 HIS 2.377 0.089 4 0 "[ . 1 . 2]"
1 60 ASP 2.008 0.088 17 0 "[ . 1 . 2]"
1 61 CYS 2.767 0.100 8 0 "[ . 1 . 2]"
1 62 VAL 14.805 0.427 6 0 "[ . 1 . 2]"
1 63 ASN 17.463 0.121 2 0 "[ . 1 . 2]"
1 64 ILE 17.629 0.125 10 0 "[ . 1 . 2]"
1 65 THR 7.971 0.133 20 0 "[ . 1 . 2]"
1 66 ILE 14.370 0.148 6 0 "[ . 1 . 2]"
1 67 LYS 12.115 0.136 17 0 "[ . 1 . 2]"
1 68 GLN 8.571 0.820 16 2 "[ .- 1 .+ 2]"
1 69 HIS 9.128 0.118 20 0 "[ . 1 . 2]"
1 70 THR 6.603 0.141 11 0 "[ . 1 . 2]"
1 71 VAL 16.399 0.820 16 2 "[ .- 1 .+ 2]"
1 72 THR 7.454 0.115 11 0 "[ . 1 . 2]"
1 73 THR 9.228 0.127 19 0 "[ . 1 . 2]"
1 74 THR 3.813 0.128 15 0 "[ . 1 . 2]"
1 75 THR 3.492 0.123 17 0 "[ . 1 . 2]"
1 76 LYS 7.073 0.104 19 0 "[ . 1 . 2]"
1 77 GLY 2.372 0.103 12 0 "[ . 1 . 2]"
1 78 GLU 11.179 0.358 18 0 "[ . 1 . 2]"
1 79 ASN 5.668 0.461 2 0 "[ . 1 . 2]"
1 80 PHE 12.993 0.461 2 0 "[ . 1 . 2]"
1 81 THR 12.869 0.114 6 0 "[ . 1 . 2]"
1 82 GLU 7.809 0.112 4 0 "[ . 1 . 2]"
1 83 THR 5.670 0.133 16 0 "[ . 1 . 2]"
1 84 ASP 0.995 0.076 17 0 "[ . 1 . 2]"
1 85 VAL 7.564 0.292 3 0 "[ . 1 . 2]"
1 86 LYS 6.449 0.262 6 0 "[ . 1 . 2]"
1 87 MET 14.094 0.262 6 0 "[ . 1 . 2]"
1 88 MET 13.328 0.809 3 1 "[ + . 1 . 2]"
1 89 GLU 3.234 0.122 17 0 "[ . 1 . 2]"
1 90 ARG 12.955 0.947 8 4 "[* - . +*1 . 2]"
1 91 VAL 12.773 0.947 8 4 "[ . +*1 *- 2]"
1 92 VAL 5.907 0.415 15 0 "[ . 1 . 2]"
1 93 GLU 4.998 0.511 3 1 "[ + . 1 . 2]"
1 94 GLN 7.681 0.736 14 2 "[ . 1 +* 2]"
1 95 MET 8.008 0.532 15 1 "[ . 1 + 2]"
1 96 CYS 7.699 0.427 6 0 "[ . 1 . 2]"
1 97 VAL 3.974 0.425 19 0 "[ . 1 . 2]"
1 98 THR 10.116 0.532 15 1 "[ . 1 + 2]"
1 99 GLN 9.004 0.659 9 2 "[ . +1 - 2]"
1 100 TYR 8.035 0.752 3 1 "[ + . 1 . 2]"
1 101 GLN 5.237 0.687 19 1 "[ . 1 . +2]"
1 102 LYS 6.018 0.687 19 1 "[ . 1 . +2]"
1 103 GLU 6.936 0.412 20 0 "[ . 1 . 2]"
1 104 SER 2.301 0.088 14 0 "[ . 1 . 2]"
1 105 GLN 5.010 0.099 15 0 "[ . 1 . 2]"
1 106 ALA 5.945 0.122 16 0 "[ . 1 . 2]"
1 107 TYR 16.536 0.203 11 0 "[ . 1 . 2]"
1 108 TYR 13.842 0.135 16 0 "[ . 1 . 2]"
1 109 ASP 3.730 0.105 19 0 "[ . 1 . 2]"
1 110 GLY 6.714 0.107 17 0 "[ . 1 . 2]"
1 111 ARG 11.348 0.107 11 0 "[ . 1 . 2]"
1 112 ARG 7.882 0.111 17 0 "[ . 1 . 2]"
1 113 SER 6.356 0.108 18 0 "[ . 1 . 2]"
1 114 SER 2.271 0.111 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 SER H . . 3.060 2.265 2.064 2.490 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 SER HA . . 4.060 4.064 3.908 4.126 0.066 17 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 4 VAL H . . 5.500 5.384 4.851 5.586 0.086 1 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 4 VAL QG . . 5.080 2.728 2.159 3.422 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY QA 1 11 MET HB3 . . 4.310 3.566 2.329 4.392 0.082 17 0 "[ . 1 . 2]" 1
6 1 1 GLY QA 1 11 MET ME . . 5.300 4.574 3.119 5.417 0.117 14 0 "[ . 1 . 2]" 1
7 1 1 GLY QA 1 12 LEU QD . . 5.500 4.520 3.770 5.270 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER H 1 2 SER QB . . 3.870 3.368 2.781 3.536 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER H 1 3 VAL H . . 3.920 3.853 3.313 4.006 0.086 10 0 "[ . 1 . 2]" 1
10 1 2 SER H 1 4 VAL H . . 4.950 4.640 4.121 5.014 0.064 16 0 "[ . 1 . 2]" 1
11 1 2 SER H 1 4 VAL MG2 . . 5.500 2.829 2.065 3.624 . 0 0 "[ . 1 . 2]" 1
12 1 2 SER H 1 11 MET HB3 . . 5.310 4.667 3.638 5.375 0.065 19 0 "[ . 1 . 2]" 1
13 1 2 SER H 1 12 LEU H . . 4.750 4.370 3.396 4.830 0.080 10 0 "[ . 1 . 2]" 1
14 1 2 SER HA 1 3 VAL H . . 2.700 2.139 2.094 2.207 . 0 0 "[ . 1 . 2]" 1
15 1 2 SER HA 1 3 VAL HA . . 4.380 4.380 4.320 4.449 0.069 19 0 "[ . 1 . 2]" 1
16 1 2 SER HA 1 3 VAL HB . . 5.300 4.713 4.266 5.083 . 0 0 "[ . 1 . 2]" 1
17 1 2 SER HA 1 3 VAL QG . . 4.830 3.608 3.043 4.048 . 0 0 "[ . 1 . 2]" 1
18 1 2 SER HA 1 11 MET ME . . 5.280 2.945 2.150 4.501 . 0 0 "[ . 1 . 2]" 1
19 1 2 SER QB 1 3 VAL H . . 3.460 3.152 2.802 3.536 0.076 15 0 "[ . 1 . 2]" 1
20 1 2 SER QB 1 3 VAL HA . . 5.060 4.868 4.639 5.108 0.048 15 0 "[ . 1 . 2]" 1
21 1 2 SER QB 1 3 VAL HB . . 4.910 4.040 3.326 4.696 . 0 0 "[ . 1 . 2]" 1
22 1 2 SER QB 1 3 VAL QG . . 4.410 2.696 2.150 3.481 . 0 0 "[ . 1 . 2]" 1
23 1 2 SER QB 1 11 MET ME . . 5.020 4.065 2.676 5.124 0.104 3 0 "[ . 1 . 2]" 1
24 1 3 VAL H 1 3 VAL HB . . 3.610 3.085 2.526 3.673 0.063 15 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 3 VAL QG . . 3.320 2.619 1.967 3.067 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL H 1 7 LEU HB2 . . 5.500 3.988 3.348 4.806 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL H 1 11 MET ME . . 4.960 3.871 2.939 4.996 0.036 3 0 "[ . 1 . 2]" 1
28 1 3 VAL HA 1 3 VAL QG . . 3.180 2.289 2.100 2.453 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL HA 1 4 VAL H . . 2.590 2.427 2.226 2.657 0.067 17 0 "[ . 1 . 2]" 1
30 1 3 VAL HA 1 5 GLY H . . 4.940 4.432 3.690 4.651 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL HA 1 7 LEU H . . 5.040 3.266 2.694 3.858 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HA 1 7 LEU HA . . 4.650 4.623 4.262 4.747 0.097 16 0 "[ . 1 . 2]" 1
33 1 3 VAL HA 1 9 GLY HA2 . . 3.990 3.216 2.908 3.431 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL HA 1 9 GLY HA3 . . 4.800 4.698 4.346 4.872 0.072 8 0 "[ . 1 . 2]" 1
35 1 3 VAL QG 1 5 GLY H . . 4.850 3.223 2.105 3.684 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL QG 1 6 GLY H . . 4.740 3.642 2.499 4.770 0.030 6 0 "[ . 1 . 2]" 1
37 1 3 VAL QG 1 6 GLY QA . . 4.360 3.197 2.382 4.198 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL QG 1 7 LEU H . . 4.750 2.682 2.261 2.962 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL QG 1 7 LEU HB2 . . 4.740 3.366 2.786 3.808 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL QG 1 8 GLY H . . 5.500 4.726 4.201 4.942 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL QG 1 8 GLY HA2 . . 5.500 3.983 3.402 4.425 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL QG 1 8 GLY HA3 . . 5.500 5.073 4.416 5.452 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL QG 1 9 GLY H . . 5.500 2.968 2.161 3.589 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL QG 1 10 TYR H . . 5.500 4.327 3.625 4.737 . 0 0 "[ . 1 . 2]" 1
45 1 4 VAL H 1 4 VAL HB . . 3.040 2.667 2.555 2.853 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL H 1 4 VAL QG . . 3.230 1.996 1.843 2.171 . 0 0 "[ . 1 . 2]" 1
47 1 4 VAL H 1 4 VAL MG2 . . 3.310 2.003 1.847 2.183 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL H 1 5 GLY H . . 3.820 3.781 3.201 3.897 0.077 19 0 "[ . 1 . 2]" 1
49 1 4 VAL H 1 7 LEU HA . . 5.130 5.127 4.890 5.199 0.069 4 0 "[ . 1 . 2]" 1
50 1 4 VAL H 1 7 LEU HB2 . . 5.460 2.210 1.937 2.387 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL H 1 7 LEU HB3 . . 5.310 3.520 3.163 3.919 . 0 0 "[ . 1 . 2]" 1
52 1 4 VAL H 1 7 LEU QD . . 5.370 2.496 1.985 3.395 . 0 0 "[ . 1 . 2]" 1
53 1 4 VAL H 1 9 GLY H . . 4.270 4.346 4.311 4.361 0.091 16 0 "[ . 1 . 2]" 1
54 1 4 VAL H 1 10 TYR H . . 5.500 4.162 3.474 5.272 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL H 1 44 TYR QD . . 5.340 4.860 4.521 5.265 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL HA 1 4 VAL QG . . 3.050 2.129 2.079 2.230 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL HA 1 5 GLY H . . 2.620 2.458 2.218 2.703 0.083 11 0 "[ . 1 . 2]" 1
58 1 4 VAL HA 1 7 LEU QD . . 5.500 4.065 3.793 4.463 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL HA 1 44 TYR QE . . 5.500 5.100 4.734 5.577 0.077 15 0 "[ . 1 . 2]" 1
60 1 4 VAL HB 1 5 GLY H . . 4.590 4.473 4.284 4.559 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL HB 1 5 GLY QA . . 4.720 4.765 4.631 4.822 0.102 18 0 "[ . 1 . 2]" 1
62 1 4 VAL HB 1 7 LEU H . . 5.500 5.064 4.174 5.553 0.053 10 0 "[ . 1 . 2]" 1
63 1 4 VAL HB 1 7 LEU HB2 . . 4.880 3.905 2.960 4.205 . 0 0 "[ . 1 . 2]" 1
64 1 4 VAL HB 1 7 LEU HB3 . . 4.780 4.748 4.126 4.865 0.085 13 0 "[ . 1 . 2]" 1
65 1 4 VAL HB 1 7 LEU QD . . 4.650 2.224 1.961 3.215 . 0 0 "[ . 1 . 2]" 1
66 1 4 VAL HB 1 44 TYR QE . . 5.080 2.709 2.168 3.568 . 0 0 "[ . 1 . 2]" 1
67 1 4 VAL QG 1 5 GLY H . . 3.820 3.674 3.490 3.831 0.011 11 0 "[ . 1 . 2]" 1
68 1 4 VAL QG 1 7 LEU HB2 . . 4.820 3.621 3.003 3.900 . 0 0 "[ . 1 . 2]" 1
69 1 4 VAL QG 1 7 LEU HB3 . . 4.770 4.315 3.616 4.742 . 0 0 "[ . 1 . 2]" 1
70 1 4 VAL QG 1 7 LEU QD . . 3.490 2.522 2.051 3.417 . 0 0 "[ . 1 . 2]" 1
71 1 4 VAL QG 1 7 LEU HG . . 3.700 3.655 2.863 3.804 0.104 19 0 "[ . 1 . 2]" 1
72 1 4 VAL QG 1 11 MET HA . . 4.420 3.070 2.214 4.131 . 0 0 "[ . 1 . 2]" 1
73 1 4 VAL QG 1 12 LEU HB3 . . 3.760 2.786 2.200 3.866 0.106 18 0 "[ . 1 . 2]" 1
74 1 4 VAL QG 1 12 LEU HG . . 3.770 3.382 2.538 3.916 0.146 1 0 "[ . 1 . 2]" 1
75 1 4 VAL QG 1 44 TYR QD . . 5.390 2.963 2.489 3.482 . 0 0 "[ . 1 . 2]" 1
76 1 4 VAL QG 1 44 TYR QE . . 4.700 2.175 1.936 2.483 . 0 0 "[ . 1 . 2]" 1
77 1 4 VAL MG1 1 44 TYR QE . . 3.140 2.268 2.130 2.822 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLY H 1 5 GLY QA . . 2.740 2.300 2.205 2.371 . 0 0 "[ . 1 . 2]" 1
79 1 5 GLY QA 1 7 LEU HB2 . . 5.500 5.150 4.642 5.479 . 0 0 "[ . 1 . 2]" 1
80 1 5 GLY QA 1 7 LEU QD . . 5.470 3.844 2.507 5.060 . 0 0 "[ . 1 . 2]" 1
81 1 5 GLY QA 1 7 LEU HG . . 4.990 4.145 3.277 5.078 0.088 11 0 "[ . 1 . 2]" 1
82 1 6 GLY H 1 6 GLY QA . . 2.560 2.230 2.187 2.353 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLY H 1 7 LEU H . . 3.120 2.903 2.602 3.198 0.078 6 0 "[ . 1 . 2]" 1
84 1 6 GLY H 1 7 LEU HB2 . . 5.490 4.945 4.554 5.369 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLY QA 1 7 LEU H . . 2.970 2.820 2.624 3.029 0.059 11 0 "[ . 1 . 2]" 1
86 1 6 GLY QA 1 7 LEU QD . . 4.990 3.938 3.249 4.405 . 0 0 "[ . 1 . 2]" 1
87 1 7 LEU H 1 7 LEU HB2 . . 3.000 2.448 2.199 2.688 . 0 0 "[ . 1 . 2]" 1
88 1 7 LEU H 1 7 LEU HB3 . . 3.560 3.589 3.486 3.645 0.085 18 0 "[ . 1 . 2]" 1
89 1 7 LEU H 1 7 LEU QD . . 4.380 3.022 2.122 3.641 . 0 0 "[ . 1 . 2]" 1
90 1 7 LEU H 1 7 LEU HG . . 3.710 2.819 2.051 3.795 0.085 17 0 "[ . 1 . 2]" 1
91 1 7 LEU H 1 9 GLY H . . 4.330 4.340 4.117 4.419 0.089 11 0 "[ . 1 . 2]" 1
92 1 7 LEU H 1 10 TYR QD . . 5.500 5.251 5.066 5.380 . 0 0 "[ . 1 . 2]" 1
93 1 7 LEU HA 1 7 LEU QD . . 3.090 2.095 1.980 2.182 . 0 0 "[ . 1 . 2]" 1
94 1 7 LEU HA 1 7 LEU HG . . 4.130 3.312 2.976 3.768 . 0 0 "[ . 1 . 2]" 1
95 1 7 LEU HA 1 8 GLY H . . 2.980 2.322 2.097 2.431 . 0 0 "[ . 1 . 2]" 1
96 1 7 LEU HA 1 8 GLY HA2 . . 5.100 4.330 4.172 4.425 . 0 0 "[ . 1 . 2]" 1
97 1 7 LEU HA 1 8 GLY HA3 . . 5.100 4.395 4.218 4.478 . 0 0 "[ . 1 . 2]" 1
98 1 7 LEU HA 1 9 GLY H . . 4.420 4.095 3.833 4.262 . 0 0 "[ . 1 . 2]" 1
99 1 7 LEU HA 1 10 TYR H . . 4.740 4.593 4.247 4.825 0.085 8 0 "[ . 1 . 2]" 1
100 1 7 LEU HA 1 10 TYR HB2 . . 4.630 4.485 4.246 4.701 0.071 8 0 "[ . 1 . 2]" 1
101 1 7 LEU HA 1 10 TYR QD . . 3.410 3.296 2.755 3.509 0.099 13 0 "[ . 1 . 2]" 1
102 1 7 LEU HA 1 10 TYR QE . . 4.420 4.228 3.706 4.519 0.099 2 0 "[ . 1 . 2]" 1
103 1 7 LEU HA 1 64 ILE MD . . 5.500 4.074 3.563 4.687 . 0 0 "[ . 1 . 2]" 1
104 1 7 LEU HA 1 64 ILE MG . . 5.400 4.547 4.229 4.934 . 0 0 "[ . 1 . 2]" 1
105 1 7 LEU HB2 1 8 GLY H . . 4.130 3.814 3.483 4.188 0.058 12 0 "[ . 1 . 2]" 1
106 1 7 LEU HB2 1 9 GLY H . . 5.500 3.048 2.753 3.746 . 0 0 "[ . 1 . 2]" 1
107 1 7 LEU HB2 1 10 TYR H . . 4.940 3.236 2.567 3.993 . 0 0 "[ . 1 . 2]" 1
108 1 7 LEU HB2 1 10 TYR HB2 . . 4.440 3.259 2.845 3.710 . 0 0 "[ . 1 . 2]" 1
109 1 7 LEU HB2 1 10 TYR HB3 . . 5.500 4.945 4.522 5.434 . 0 0 "[ . 1 . 2]" 1
110 1 7 LEU HB2 1 10 TYR QD . . 3.700 3.631 3.174 3.784 0.084 19 0 "[ . 1 . 2]" 1
111 1 7 LEU HB2 1 44 TYR QD . . 5.500 5.424 5.030 5.594 0.094 17 0 "[ . 1 . 2]" 1
112 1 7 LEU HB3 1 8 GLY H . . 4.180 2.670 2.388 3.055 . 0 0 "[ . 1 . 2]" 1
113 1 7 LEU HB3 1 8 GLY HA2 . . 5.500 4.834 4.659 5.016 . 0 0 "[ . 1 . 2]" 1
114 1 7 LEU HB3 1 9 GLY H . . 5.500 3.018 2.584 3.454 . 0 0 "[ . 1 . 2]" 1
115 1 7 LEU HB3 1 10 TYR H . . 4.710 2.564 2.079 3.070 . 0 0 "[ . 1 . 2]" 1
116 1 7 LEU HB3 1 10 TYR HB2 . . 4.880 2.190 2.069 2.482 . 0 0 "[ . 1 . 2]" 1
117 1 7 LEU HB3 1 10 TYR HB3 . . 5.090 3.879 3.750 4.165 . 0 0 "[ . 1 . 2]" 1
118 1 7 LEU HB3 1 10 TYR QD . . 3.780 2.094 2.004 2.193 . 0 0 "[ . 1 . 2]" 1
119 1 7 LEU HB3 1 44 TYR QD . . 5.500 5.190 4.708 5.491 . 0 0 "[ . 1 . 2]" 1
120 1 7 LEU QD 1 8 GLY H . . 4.580 3.320 3.042 3.652 . 0 0 "[ . 1 . 2]" 1
121 1 7 LEU QD 1 9 GLY H . . 5.500 4.192 4.023 4.391 . 0 0 "[ . 1 . 2]" 1
122 1 7 LEU QD 1 10 TYR H . . 5.230 3.509 3.287 3.795 . 0 0 "[ . 1 . 2]" 1
123 1 7 LEU QD 1 10 TYR HB2 . . 4.400 2.065 1.975 2.300 . 0 0 "[ . 1 . 2]" 1
124 1 7 LEU QD 1 10 TYR HB3 . . 4.920 2.837 2.662 3.099 . 0 0 "[ . 1 . 2]" 1
125 1 7 LEU QD 1 10 TYR QD . . 3.800 2.850 2.335 3.243 . 0 0 "[ . 1 . 2]" 1
126 1 7 LEU QD 1 10 TYR QE . . 4.630 3.869 3.094 4.343 . 0 0 "[ . 1 . 2]" 1
127 1 7 LEU QD 1 44 TYR HB3 . . 5.500 2.845 2.522 3.472 . 0 0 "[ . 1 . 2]" 1
128 1 7 LEU QD 1 44 TYR QD . . 4.510 2.464 2.050 3.651 . 0 0 "[ . 1 . 2]" 1
129 1 7 LEU QD 1 64 ILE MD . . 3.940 2.608 2.191 3.290 . 0 0 "[ . 1 . 2]" 1
130 1 7 LEU QD 1 64 ILE MG . . 3.310 2.040 1.852 2.484 . 0 0 "[ . 1 . 2]" 1
131 1 7 LEU QD 1 68 GLN HA . . 5.500 4.623 4.120 5.134 . 0 0 "[ . 1 . 2]" 1
132 1 7 LEU QD 1 68 GLN HE21 . . 5.500 3.431 2.864 3.991 . 0 0 "[ . 1 . 2]" 1
133 1 7 LEU QD 1 68 GLN HE22 . . 5.500 3.310 2.912 3.803 . 0 0 "[ . 1 . 2]" 1
134 1 7 LEU QD 1 68 GLN HG2 . . 4.520 2.831 2.463 3.349 . 0 0 "[ . 1 . 2]" 1
135 1 7 LEU QD 1 68 GLN HG3 . . 5.430 2.135 1.977 2.493 . 0 0 "[ . 1 . 2]" 1
136 1 7 LEU HG 1 8 GLY H . . 5.050 4.985 4.839 5.111 0.061 10 0 "[ . 1 . 2]" 1
137 1 7 LEU HG 1 10 TYR H . . 5.500 5.052 3.907 5.579 0.079 11 0 "[ . 1 . 2]" 1
138 1 7 LEU HG 1 10 TYR HB2 . . 5.310 4.016 2.457 4.550 . 0 0 "[ . 1 . 2]" 1
139 1 7 LEU HG 1 10 TYR QD . . 4.920 4.711 4.090 5.007 0.087 9 0 "[ . 1 . 2]" 1
140 1 8 GLY H 1 8 GLY HA2 . . 2.910 2.899 2.793 2.939 0.029 8 0 "[ . 1 . 2]" 1
141 1 8 GLY H 1 9 GLY H . . 3.210 3.107 2.908 3.232 0.022 17 0 "[ . 1 . 2]" 1
142 1 8 GLY H 1 9 GLY HA3 . . 5.500 5.340 5.022 5.541 0.041 4 0 "[ . 1 . 2]" 1
143 1 8 GLY H 1 10 TYR H . . 5.070 3.479 3.132 3.925 . 0 0 "[ . 1 . 2]" 1
144 1 8 GLY H 1 10 TYR HA . . 5.500 5.582 5.560 5.592 0.092 15 0 "[ . 1 . 2]" 1
145 1 8 GLY H 1 10 TYR QD . . 3.680 1.917 1.819 2.097 . 0 0 "[ . 1 . 2]" 1
146 1 8 GLY H 1 10 TYR QE . . 4.190 2.435 2.124 2.739 . 0 0 "[ . 1 . 2]" 1
147 1 8 GLY HA2 1 10 TYR H . . 4.720 4.678 4.332 5.018 0.298 18 0 "[ . 1 . 2]" 1
148 1 8 GLY HA2 1 10 TYR QD . . 5.280 4.294 4.026 4.583 . 0 0 "[ . 1 . 2]" 1
149 1 8 GLY HA2 1 10 TYR QE . . 4.580 4.438 3.953 4.771 0.191 11 0 "[ . 1 . 2]" 1
150 1 8 GLY HA3 1 9 GLY H . . 3.320 3.560 3.401 3.637 0.317 16 0 "[ . 1 . 2]" 1
151 1 8 GLY HA3 1 10 TYR H . . 4.960 4.368 3.933 4.793 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLY HA3 1 10 TYR QD . . 4.770 3.443 3.211 3.665 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLY HA3 1 10 TYR QE . . 4.690 2.928 2.344 3.410 . 0 0 "[ . 1 . 2]" 1
154 1 9 GLY H 1 9 GLY HA2 . . 2.850 2.394 2.320 2.570 . 0 0 "[ . 1 . 2]" 1
155 1 9 GLY H 1 10 TYR H . . 3.330 2.188 2.011 2.415 . 0 0 "[ . 1 . 2]" 1
156 1 9 GLY H 1 10 TYR HA . . 5.490 4.884 4.775 5.047 . 0 0 "[ . 1 . 2]" 1
157 1 9 GLY H 1 10 TYR HB2 . . 5.060 4.119 4.011 4.227 . 0 0 "[ . 1 . 2]" 1
158 1 9 GLY H 1 10 TYR HB3 . . 5.500 5.571 5.456 5.592 0.092 15 0 "[ . 1 . 2]" 1
159 1 9 GLY H 1 10 TYR QD . . 4.160 3.219 2.773 3.647 . 0 0 "[ . 1 . 2]" 1
160 1 9 GLY H 1 10 TYR QE . . 5.190 4.902 4.386 5.232 0.042 12 0 "[ . 1 . 2]" 1
161 1 9 GLY HA2 1 10 TYR QD . . 5.500 4.912 4.258 5.451 . 0 0 "[ . 1 . 2]" 1
162 1 9 GLY HA2 1 11 MET ME . . 4.430 3.734 2.835 4.399 . 0 0 "[ . 1 . 2]" 1
163 1 9 GLY HA3 1 10 TYR QD . . 5.500 4.928 4.308 5.384 . 0 0 "[ . 1 . 2]" 1
164 1 10 TYR H 1 10 TYR HB2 . . 3.310 2.391 2.171 2.637 . 0 0 "[ . 1 . 2]" 1
165 1 10 TYR H 1 10 TYR HB3 . . 3.670 3.554 3.458 3.622 . 0 0 "[ . 1 . 2]" 1
166 1 10 TYR H 1 10 TYR QD . . 3.040 2.356 1.877 2.921 . 0 0 "[ . 1 . 2]" 1
167 1 10 TYR H 1 11 MET H . . 4.860 4.503 4.329 4.642 . 0 0 "[ . 1 . 2]" 1
168 1 10 TYR H 1 64 ILE MG . . 5.500 5.299 4.960 5.575 0.075 17 0 "[ . 1 . 2]" 1
169 1 10 TYR HA 1 10 TYR QD . . 3.240 2.999 2.545 3.244 0.004 9 0 "[ . 1 . 2]" 1
170 1 10 TYR HA 1 10 TYR QE . . 5.050 4.586 4.148 4.772 . 0 0 "[ . 1 . 2]" 1
171 1 10 TYR HA 1 11 MET H . . 3.160 2.361 2.172 2.542 . 0 0 "[ . 1 . 2]" 1
172 1 10 TYR HA 1 11 MET HB2 . . 5.500 4.803 4.509 5.345 . 0 0 "[ . 1 . 2]" 1
173 1 10 TYR HA 1 11 MET QG . . 5.500 3.870 3.417 4.563 . 0 0 "[ . 1 . 2]" 1
174 1 10 TYR HA 1 45 TYR H . . 4.560 4.488 4.110 4.633 0.073 9 0 "[ . 1 . 2]" 1
175 1 10 TYR HA 1 46 ARG HA . . 2.500 2.495 2.215 2.607 0.107 14 0 "[ . 1 . 2]" 1
176 1 10 TYR HA 1 46 ARG HB2 . . 5.210 4.951 4.221 5.268 0.058 17 0 "[ . 1 . 2]" 1
177 1 10 TYR HA 1 46 ARG HB3 . . 5.360 4.691 4.183 5.034 . 0 0 "[ . 1 . 2]" 1
178 1 10 TYR HA 1 46 ARG QD . . 5.260 3.078 2.119 4.598 . 0 0 "[ . 1 . 2]" 1
179 1 10 TYR HA 1 46 ARG HG2 . . 4.870 3.519 2.193 3.974 . 0 0 "[ . 1 . 2]" 1
180 1 10 TYR HA 1 46 ARG HG3 . . 4.830 4.053 2.119 4.926 0.096 6 0 "[ . 1 . 2]" 1
181 1 10 TYR HB2 1 11 MET H . . 4.190 3.694 3.345 4.008 . 0 0 "[ . 1 . 2]" 1
182 1 10 TYR HB2 1 11 MET ME . . 5.210 4.698 4.265 4.967 . 0 0 "[ . 1 . 2]" 1
183 1 10 TYR HB2 1 44 TYR QD . . 4.130 3.988 3.595 4.209 0.079 15 0 "[ . 1 . 2]" 1
184 1 10 TYR HB2 1 45 TYR H . . 5.230 4.828 4.423 5.286 0.056 3 0 "[ . 1 . 2]" 1
185 1 10 TYR HB2 1 64 ILE MG . . 4.490 3.506 3.079 3.830 . 0 0 "[ . 1 . 2]" 1
186 1 10 TYR HB3 1 11 MET H . . 4.010 2.497 2.033 2.931 . 0 0 "[ . 1 . 2]" 1
187 1 10 TYR HB3 1 11 MET ME . . 4.560 4.445 3.936 4.669 0.109 9 0 "[ . 1 . 2]" 1
188 1 10 TYR HB3 1 44 TYR HA . . 5.360 4.297 4.025 4.465 . 0 0 "[ . 1 . 2]" 1
189 1 10 TYR HB3 1 44 TYR QD . . 4.000 3.761 3.209 4.062 0.062 20 0 "[ . 1 . 2]" 1
190 1 10 TYR HB3 1 45 TYR H . . 4.850 3.173 2.799 3.588 . 0 0 "[ . 1 . 2]" 1
191 1 10 TYR HB3 1 64 ILE MG . . 4.420 3.339 3.039 3.701 . 0 0 "[ . 1 . 2]" 1
192 1 10 TYR QD 1 11 MET H . . 3.760 3.685 3.287 3.857 0.097 11 0 "[ . 1 . 2]" 1
193 1 10 TYR QD 1 11 MET ME . . 5.060 4.749 4.016 5.190 0.130 12 0 "[ . 1 . 2]" 1
194 1 10 TYR QD 1 44 TYR HA . . 5.440 5.065 4.736 5.418 . 0 0 "[ . 1 . 2]" 1
195 1 10 TYR QD 1 44 TYR HB3 . . 5.360 3.691 2.998 4.059 . 0 0 "[ . 1 . 2]" 1
196 1 10 TYR QD 1 45 TYR H . . 4.700 3.536 3.046 3.789 . 0 0 "[ . 1 . 2]" 1
197 1 10 TYR QD 1 45 TYR HA . . 3.510 2.876 2.650 3.040 . 0 0 "[ . 1 . 2]" 1
198 1 10 TYR QD 1 46 ARG H . . 4.270 3.497 3.040 3.985 . 0 0 "[ . 1 . 2]" 1
199 1 10 TYR QD 1 46 ARG HB3 . . 5.500 5.031 4.444 5.333 . 0 0 "[ . 1 . 2]" 1
200 1 10 TYR QD 1 46 ARG HG2 . . 4.020 3.249 2.537 4.336 0.316 3 0 "[ . 1 . 2]" 1
201 1 10 TYR QD 1 46 ARG HG3 . . 4.280 3.739 2.467 4.383 0.103 17 0 "[ . 1 . 2]" 1
202 1 10 TYR QD 1 64 ILE HB . . 5.090 4.226 3.990 4.518 . 0 0 "[ . 1 . 2]" 1
203 1 10 TYR QD 1 64 ILE MD . . 4.280 3.532 2.661 4.002 . 0 0 "[ . 1 . 2]" 1
204 1 10 TYR QD 1 64 ILE QG . . 4.120 3.169 2.852 3.659 . 0 0 "[ . 1 . 2]" 1
205 1 10 TYR QD 1 64 ILE MG . . 3.260 3.166 2.876 3.369 0.109 6 0 "[ . 1 . 2]" 1
206 1 10 TYR QE 1 45 TYR HA . . 3.810 3.883 3.712 3.908 0.098 5 0 "[ . 1 . 2]" 1
207 1 10 TYR QE 1 46 ARG H . . 4.390 4.017 3.478 4.463 0.073 10 0 "[ . 1 . 2]" 1
208 1 10 TYR QE 1 46 ARG HB2 . . 5.230 3.996 2.186 5.026 . 0 0 "[ . 1 . 2]" 1
209 1 10 TYR QE 1 46 ARG HB3 . . 5.410 5.021 3.835 5.480 0.070 15 0 "[ . 1 . 2]" 1
210 1 10 TYR QE 1 46 ARG QD . . 4.800 3.043 2.156 3.538 . 0 0 "[ . 1 . 2]" 1
211 1 10 TYR QE 1 46 ARG HE . . 3.740 3.171 2.206 3.604 . 0 0 "[ . 1 . 2]" 1
212 1 10 TYR QE 1 46 ARG HG2 . . 3.680 3.143 2.267 4.289 0.609 2 7 "[*+* . * - *.* 2]" 1
213 1 10 TYR QE 1 46 ARG HG3 . . 4.170 3.359 2.847 3.816 . 0 0 "[ . 1 . 2]" 1
214 1 10 TYR QE 1 60 ASP QB . . 3.370 2.748 2.169 3.373 0.003 3 0 "[ . 1 . 2]" 1
215 1 10 TYR QE 1 61 CYS H . . 5.160 5.079 4.573 5.260 0.100 8 0 "[ . 1 . 2]" 1
216 1 10 TYR QE 1 64 ILE HA . . 5.500 5.587 5.497 5.611 0.111 16 0 "[ . 1 . 2]" 1
217 1 10 TYR QE 1 64 ILE HB . . 4.600 4.211 3.674 4.676 0.076 2 0 "[ . 1 . 2]" 1
218 1 10 TYR QE 1 64 ILE MD . . 4.270 2.786 2.289 3.350 . 0 0 "[ . 1 . 2]" 1
219 1 10 TYR QE 1 64 ILE QG . . 3.510 2.536 2.157 2.928 . 0 0 "[ . 1 . 2]" 1
220 1 10 TYR QE 1 64 ILE MG . . 3.980 3.819 3.448 4.056 0.076 9 0 "[ . 1 . 2]" 1
221 1 11 MET H 1 11 MET HB2 . . 3.840 2.622 2.385 3.137 . 0 0 "[ . 1 . 2]" 1
222 1 11 MET H 1 11 MET ME . . 4.630 3.003 2.388 3.540 . 0 0 "[ . 1 . 2]" 1
223 1 11 MET H 1 11 MET HG2 . . 4.090 2.936 2.185 4.061 . 0 0 "[ . 1 . 2]" 1
224 1 11 MET H 1 11 MET QG . . 3.860 2.754 2.169 3.538 . 0 0 "[ . 1 . 2]" 1
225 1 11 MET H 1 12 LEU H . . 5.260 4.444 4.263 4.551 . 0 0 "[ . 1 . 2]" 1
226 1 11 MET H 1 44 TYR HA . . 5.040 4.503 4.083 4.852 . 0 0 "[ . 1 . 2]" 1
227 1 11 MET H 1 45 TYR H . . 3.950 2.800 2.616 3.159 . 0 0 "[ . 1 . 2]" 1
228 1 11 MET H 1 45 TYR QE . . 5.150 4.823 4.601 5.041 . 0 0 "[ . 1 . 2]" 1
229 1 11 MET H 1 46 ARG HA . . 4.980 3.270 2.966 3.553 . 0 0 "[ . 1 . 2]" 1
230 1 11 MET H 1 46 ARG HG2 . . 5.500 5.084 4.180 5.555 0.055 7 0 "[ . 1 . 2]" 1
231 1 11 MET H 1 47 PRO HD3 . . 5.500 4.332 3.595 4.902 . 0 0 "[ . 1 . 2]" 1
232 1 11 MET H 1 64 ILE MG . . 5.500 5.381 4.946 5.592 0.092 12 0 "[ . 1 . 2]" 1
233 1 11 MET HA 1 11 MET ME . . 3.810 3.310 2.429 3.883 0.073 3 0 "[ . 1 . 2]" 1
234 1 11 MET HA 1 11 MET QG . . 3.500 3.126 2.737 3.443 . 0 0 "[ . 1 . 2]" 1
235 1 11 MET HA 1 12 LEU H . . 2.940 2.462 2.073 2.573 . 0 0 "[ . 1 . 2]" 1
236 1 11 MET HA 1 12 LEU HB3 . . 4.850 4.449 4.156 4.649 . 0 0 "[ . 1 . 2]" 1
237 1 11 MET HB2 1 11 MET ME . . 4.790 3.926 3.690 4.111 . 0 0 "[ . 1 . 2]" 1
238 1 11 MET HB2 1 12 LEU H . . 4.230 3.370 2.937 3.703 . 0 0 "[ . 1 . 2]" 1
239 1 11 MET HB2 1 45 TYR H . . 4.910 3.345 2.979 3.983 . 0 0 "[ . 1 . 2]" 1
240 1 11 MET HB2 1 45 TYR QD . . 5.500 3.392 2.898 3.804 . 0 0 "[ . 1 . 2]" 1
241 1 11 MET HB2 1 45 TYR QE . . 3.960 2.972 2.777 3.151 . 0 0 "[ . 1 . 2]" 1
242 1 11 MET HB3 1 11 MET ME . . 4.510 4.015 3.801 4.137 . 0 0 "[ . 1 . 2]" 1
243 1 11 MET HB3 1 12 LEU H . . 3.760 2.516 2.171 3.400 . 0 0 "[ . 1 . 2]" 1
244 1 11 MET HB3 1 45 TYR H . . 5.450 4.802 4.402 5.375 . 0 0 "[ . 1 . 2]" 1
245 1 11 MET HB3 1 45 TYR QD . . 5.500 4.675 4.144 5.148 . 0 0 "[ . 1 . 2]" 1
246 1 11 MET HB3 1 45 TYR QE . . 4.000 3.599 3.022 4.065 0.065 3 0 "[ . 1 . 2]" 1
247 1 11 MET ME 1 11 MET QG . . 2.770 2.123 1.975 2.257 . 0 0 "[ . 1 . 2]" 1
248 1 11 MET ME 1 12 LEU H . . 5.420 5.271 4.636 5.531 0.111 2 0 "[ . 1 . 2]" 1
249 1 11 MET ME 1 45 TYR QD . . 5.140 4.893 3.769 5.250 0.110 4 0 "[ . 1 . 2]" 1
250 1 11 MET ME 1 46 ARG QD . . 4.880 4.075 3.141 4.502 . 0 0 "[ . 1 . 2]" 1
251 1 11 MET ME 1 47 PRO HB3 . . 3.740 3.471 2.588 3.841 0.101 10 0 "[ . 1 . 2]" 1
252 1 11 MET ME 1 47 PRO HD2 . . 4.770 3.353 2.484 3.989 . 0 0 "[ . 1 . 2]" 1
253 1 11 MET ME 1 47 PRO HD3 . . 4.000 2.128 1.762 2.602 . 0 0 "[ . 1 . 2]" 1
254 1 11 MET QG 1 45 TYR H . . 5.500 4.550 3.807 5.228 . 0 0 "[ . 1 . 2]" 1
255 1 11 MET QG 1 45 TYR QD . . 5.500 3.479 2.815 4.354 . 0 0 "[ . 1 . 2]" 1
256 1 11 MET QG 1 45 TYR QE . . 5.010 2.693 2.230 3.157 . 0 0 "[ . 1 . 2]" 1
257 1 11 MET QG 1 47 PRO HD2 . . 4.980 4.586 3.802 5.102 0.122 11 0 "[ . 1 . 2]" 1
258 1 11 MET QG 1 47 PRO HD3 . . 4.040 3.138 2.436 3.917 . 0 0 "[ . 1 . 2]" 1
259 1 11 MET HG3 1 45 TYR QE . . 4.270 3.189 2.256 4.682 0.412 1 0 "[ . 1 . 2]" 1
260 1 12 LEU H 1 12 LEU HB2 . . 3.320 3.108 2.590 3.292 . 0 0 "[ . 1 . 2]" 1
261 1 12 LEU H 1 12 LEU HB3 . . 3.130 2.507 2.394 2.599 . 0 0 "[ . 1 . 2]" 1
262 1 12 LEU H 1 12 LEU QD . . 4.330 3.726 3.587 3.953 . 0 0 "[ . 1 . 2]" 1
263 1 12 LEU H 1 12 LEU HG . . 4.840 4.667 4.087 4.916 0.076 12 0 "[ . 1 . 2]" 1
264 1 12 LEU H 1 13 GLY H . . 5.070 4.228 4.052 4.444 . 0 0 "[ . 1 . 2]" 1
265 1 12 LEU H 1 44 TYR HA . . 5.360 4.720 4.581 4.918 . 0 0 "[ . 1 . 2]" 1
266 1 12 LEU H 1 44 TYR QD . . 4.690 4.596 4.310 4.784 0.094 3 0 "[ . 1 . 2]" 1
267 1 12 LEU H 1 44 TYR QE . . 5.500 5.527 5.130 5.591 0.091 1 0 "[ . 1 . 2]" 1
268 1 12 LEU H 1 45 TYR QE . . 5.230 4.503 3.767 5.302 0.072 3 0 "[ . 1 . 2]" 1
269 1 12 LEU HA 1 12 LEU QD . . 3.280 2.245 2.110 2.364 . 0 0 "[ . 1 . 2]" 1
270 1 12 LEU HA 1 13 GLY H . . 3.320 2.135 2.068 2.238 . 0 0 "[ . 1 . 2]" 1
271 1 12 LEU HA 1 13 GLY HA2 . . 5.010 4.479 4.387 4.620 . 0 0 "[ . 1 . 2]" 1
272 1 12 LEU HA 1 43 VAL H . . 4.650 4.595 4.310 4.735 0.085 18 0 "[ . 1 . 2]" 1
273 1 12 LEU HA 1 44 TYR H . . 5.500 4.844 4.567 5.084 . 0 0 "[ . 1 . 2]" 1
274 1 12 LEU HA 1 44 TYR HA . . 3.770 2.396 2.020 2.811 . 0 0 "[ . 1 . 2]" 1
275 1 12 LEU HA 1 44 TYR HB3 . . 5.500 4.132 3.884 4.638 . 0 0 "[ . 1 . 2]" 1
276 1 12 LEU HA 1 44 TYR QD . . 4.490 3.144 2.856 3.834 . 0 0 "[ . 1 . 2]" 1
277 1 12 LEU HA 1 44 TYR QE . . 4.970 4.190 3.816 4.712 . 0 0 "[ . 1 . 2]" 1
278 1 12 LEU HA 1 45 TYR H . . 5.190 3.891 3.438 4.368 . 0 0 "[ . 1 . 2]" 1
279 1 12 LEU HA 1 45 TYR QD . . 5.260 4.310 3.640 4.654 . 0 0 "[ . 1 . 2]" 1
280 1 12 LEU HB2 1 12 LEU QD . . 3.270 2.351 2.123 2.535 . 0 0 "[ . 1 . 2]" 1
281 1 12 LEU HB2 1 13 GLY H . . 4.910 4.235 4.010 4.525 . 0 0 "[ . 1 . 2]" 1
282 1 12 LEU HB2 1 44 TYR HA . . 5.500 4.314 3.660 4.980 . 0 0 "[ . 1 . 2]" 1
283 1 12 LEU HB3 1 12 LEU QD . . 3.200 2.248 2.129 2.475 . 0 0 "[ . 1 . 2]" 1
284 1 12 LEU HB3 1 13 GLY H . . 5.110 4.330 4.015 4.463 . 0 0 "[ . 1 . 2]" 1
285 1 12 LEU HB3 1 44 TYR QD . . 5.500 4.453 4.024 5.302 . 0 0 "[ . 1 . 2]" 1
286 1 12 LEU HB3 1 44 TYR QE . . 5.250 4.259 3.834 5.156 . 0 0 "[ . 1 . 2]" 1
287 1 12 LEU QD 1 13 GLY H . . 3.690 2.240 1.806 2.646 . 0 0 "[ . 1 . 2]" 1
288 1 12 LEU QD 1 13 GLY HA2 . . 5.500 3.918 3.325 4.464 . 0 0 "[ . 1 . 2]" 1
289 1 12 LEU QD 1 42 GLN HB2 . . 3.900 2.897 2.469 3.229 . 0 0 "[ . 1 . 2]" 1
290 1 12 LEU QD 1 42 GLN HB3 . . 3.860 2.017 1.905 2.107 . 0 0 "[ . 1 . 2]" 1
291 1 12 LEU QD 1 42 GLN HE21 . . 4.090 2.552 2.047 3.596 . 0 0 "[ . 1 . 2]" 1
292 1 12 LEU QD 1 42 GLN HE22 . . 3.920 2.499 1.930 2.942 . 0 0 "[ . 1 . 2]" 1
293 1 12 LEU QD 1 42 GLN QG . . 5.140 3.019 2.448 3.533 . 0 0 "[ . 1 . 2]" 1
294 1 12 LEU QD 1 43 VAL H . . 4.670 2.895 2.384 3.386 . 0 0 "[ . 1 . 2]" 1
295 1 12 LEU QD 1 43 VAL QG . . 5.500 3.911 3.556 4.140 . 0 0 "[ . 1 . 2]" 1
296 1 12 LEU QD 1 44 TYR H . . 5.280 4.198 3.630 4.629 . 0 0 "[ . 1 . 2]" 1
297 1 12 LEU QD 1 44 TYR HA . . 4.370 3.365 2.977 3.770 . 0 0 "[ . 1 . 2]" 1
298 1 12 LEU QD 1 44 TYR QD . . 4.180 3.099 2.926 3.290 . 0 0 "[ . 1 . 2]" 1
299 1 12 LEU QD 1 44 TYR QE . . 3.370 2.661 2.160 3.059 . 0 0 "[ . 1 . 2]" 1
300 1 12 LEU QD 1 45 TYR H . . 5.500 5.033 4.736 5.242 . 0 0 "[ . 1 . 2]" 1
301 1 12 LEU QD 1 45 TYR QE . . 5.500 4.459 4.106 4.955 . 0 0 "[ . 1 . 2]" 1
302 1 12 LEU QD 1 64 ILE MG . . 5.330 5.093 4.703 5.331 0.001 17 0 "[ . 1 . 2]" 1
303 1 12 LEU QD 1 65 THR MG . . 5.500 4.531 4.176 5.040 . 0 0 "[ . 1 . 2]" 1
304 1 12 LEU HG 1 13 GLY H . . 5.090 4.370 3.183 5.154 0.064 4 0 "[ . 1 . 2]" 1
305 1 12 LEU HG 1 42 GLN HB3 . . 5.440 4.094 3.020 4.613 . 0 0 "[ . 1 . 2]" 1
306 1 12 LEU HG 1 42 GLN HE21 . . 4.630 4.064 2.531 4.716 0.086 7 0 "[ . 1 . 2]" 1
307 1 12 LEU HG 1 42 GLN HE22 . . 4.560 3.971 2.569 4.636 0.076 7 0 "[ . 1 . 2]" 1
308 1 12 LEU HG 1 42 GLN QG . . 5.500 4.922 4.118 5.326 . 0 0 "[ . 1 . 2]" 1
309 1 12 LEU HG 1 44 TYR QE . . 5.500 3.809 2.545 5.368 . 0 0 "[ . 1 . 2]" 1
310 1 13 GLY H 1 14 SER H . . 4.620 4.512 3.324 4.675 0.055 3 0 "[ . 1 . 2]" 1
311 1 13 GLY H 1 42 GLN HB3 . . 5.500 3.989 3.600 4.605 . 0 0 "[ . 1 . 2]" 1
312 1 13 GLY H 1 43 VAL H . . 4.670 2.986 2.689 3.172 . 0 0 "[ . 1 . 2]" 1
313 1 13 GLY H 1 43 VAL QG . . 4.880 3.496 3.089 3.813 . 0 0 "[ . 1 . 2]" 1
314 1 13 GLY H 1 44 TYR HA . . 4.750 3.130 2.894 3.370 . 0 0 "[ . 1 . 2]" 1
315 1 13 GLY H 1 45 TYR QD . . 4.260 3.560 3.208 3.998 . 0 0 "[ . 1 . 2]" 1
316 1 13 GLY H 1 45 TYR QE . . 3.550 2.909 2.532 3.209 . 0 0 "[ . 1 . 2]" 1
317 1 13 GLY HA2 1 14 SER H . . 3.500 2.335 2.169 2.832 . 0 0 "[ . 1 . 2]" 1
318 1 13 GLY HA2 1 43 VAL H . . 5.190 4.582 3.910 4.992 . 0 0 "[ . 1 . 2]" 1
319 1 13 GLY HA2 1 43 VAL QG . . 5.410 4.122 3.521 4.446 . 0 0 "[ . 1 . 2]" 1
320 1 13 GLY HA2 1 44 TYR HA . . 5.500 5.506 5.346 5.606 0.106 9 0 "[ . 1 . 2]" 1
321 1 13 GLY HA2 1 45 TYR QD . . 5.500 4.248 3.874 4.714 . 0 0 "[ . 1 . 2]" 1
322 1 13 GLY HA2 1 45 TYR QE . . 3.550 2.148 1.984 2.364 . 0 0 "[ . 1 . 2]" 1
323 1 13 GLY HA2 1 99 GLN HB2 . . 4.960 5.087 4.579 5.619 0.659 9 2 "[ . +1 - 2]" 1
324 1 13 GLY HA2 1 99 GLN HE22 . . 5.330 3.726 2.753 4.450 . 0 0 "[ . 1 . 2]" 1
325 1 13 GLY HA3 1 16 MET ME . . 4.200 3.660 3.127 4.056 . 0 0 "[ . 1 . 2]" 1
326 1 13 GLY HA3 1 45 TYR QD . . 5.250 3.930 3.383 4.239 . 0 0 "[ . 1 . 2]" 1
327 1 13 GLY HA3 1 45 TYR QE . . 3.290 2.686 2.116 3.216 . 0 0 "[ . 1 . 2]" 1
328 1 13 GLY HA3 1 99 GLN HE22 . . 5.400 4.777 3.918 5.459 0.059 18 0 "[ . 1 . 2]" 1
329 1 14 SER H 1 14 SER HB2 . . 3.450 3.133 2.611 3.521 0.071 6 0 "[ . 1 . 2]" 1
330 1 14 SER H 1 14 SER HB3 . . 3.400 3.339 2.593 3.547 0.147 13 0 "[ . 1 . 2]" 1
331 1 14 SER H 1 15 ALA H . . 4.670 4.621 4.352 4.724 0.054 20 0 "[ . 1 . 2]" 1
332 1 14 SER H 1 16 MET ME . . 4.920 4.204 3.200 5.003 0.083 13 0 "[ . 1 . 2]" 1
333 1 14 SER H 1 45 TYR QE . . 4.200 4.256 4.053 4.299 0.099 9 0 "[ . 1 . 2]" 1
334 1 14 SER H 1 99 GLN HE21 . . 5.500 4.781 3.283 5.575 0.075 13 0 "[ . 1 . 2]" 1
335 1 14 SER H 1 99 GLN HE22 . . 4.950 3.773 2.745 4.998 0.048 13 0 "[ . 1 . 2]" 1
336 1 14 SER HA 1 15 ALA H . . 2.800 2.303 2.057 2.512 . 0 0 "[ . 1 . 2]" 1
337 1 14 SER HA 1 15 ALA MB . . 4.230 4.044 3.679 4.306 0.076 10 0 "[ . 1 . 2]" 1
338 1 14 SER HA 1 42 GLN HE21 . . 4.010 2.996 2.480 3.320 . 0 0 "[ . 1 . 2]" 1
339 1 14 SER HA 1 42 GLN HE22 . . 4.370 4.175 2.385 4.450 0.080 4 0 "[ . 1 . 2]" 1
340 1 14 SER HA 1 42 GLN QG . . 4.960 3.618 2.891 4.459 . 0 0 "[ . 1 . 2]" 1
341 1 14 SER HB2 1 15 ALA H . . 3.390 3.200 2.626 3.467 0.077 15 0 "[ . 1 . 2]" 1
342 1 14 SER HB2 1 15 ALA MB . . 4.650 4.373 3.771 4.775 0.125 15 0 "[ . 1 . 2]" 1
343 1 14 SER HB2 1 16 MET ME . . 5.500 4.831 3.858 5.600 0.100 15 0 "[ . 1 . 2]" 1
344 1 14 SER HB2 1 42 GLN HE21 . . 5.500 5.458 4.864 5.591 0.091 7 0 "[ . 1 . 2]" 1
345 1 14 SER HB3 1 15 ALA H . . 3.360 3.100 2.350 3.428 0.068 15 0 "[ . 1 . 2]" 1
346 1 14 SER HB3 1 15 ALA MB . . 4.620 4.515 3.987 4.762 0.142 7 0 "[ . 1 . 2]" 1
347 1 14 SER HB3 1 42 GLN HE21 . . 5.500 5.082 4.474 5.564 0.064 15 0 "[ . 1 . 2]" 1
348 1 15 ALA H 1 15 ALA MB . . 2.830 2.165 1.921 2.347 . 0 0 "[ . 1 . 2]" 1
349 1 15 ALA H 1 41 ASN QD . . 5.500 4.741 4.311 5.192 . 0 0 "[ . 1 . 2]" 1
350 1 15 ALA H 1 42 GLN HA . . 5.500 5.331 4.481 5.567 0.067 14 0 "[ . 1 . 2]" 1
351 1 15 ALA H 1 42 GLN HE21 . . 4.560 3.229 2.590 3.944 . 0 0 "[ . 1 . 2]" 1
352 1 15 ALA H 1 42 GLN HE22 . . 4.940 4.251 3.283 4.778 . 0 0 "[ . 1 . 2]" 1
353 1 15 ALA H 1 42 GLN QG . . 4.690 3.218 2.564 3.699 . 0 0 "[ . 1 . 2]" 1
354 1 15 ALA HA 1 16 MET H . . 2.950 2.101 1.988 2.159 . 0 0 "[ . 1 . 2]" 1
355 1 15 ALA HA 1 16 MET HA . . 5.420 4.470 4.424 4.575 . 0 0 "[ . 1 . 2]" 1
356 1 15 ALA HA 1 16 MET HG2 . . 5.140 4.728 3.483 5.192 0.052 20 0 "[ . 1 . 2]" 1
357 1 15 ALA HA 1 16 MET HG3 . . 5.040 4.115 3.852 4.487 . 0 0 "[ . 1 . 2]" 1
358 1 15 ALA HA 1 41 ASN QB . . 5.200 3.583 2.865 4.170 . 0 0 "[ . 1 . 2]" 1
359 1 15 ALA HA 1 41 ASN QD . . 5.500 3.036 2.057 3.655 . 0 0 "[ . 1 . 2]" 1
360 1 15 ALA HA 1 42 GLN HA . . 4.120 3.420 2.986 3.600 . 0 0 "[ . 1 . 2]" 1
361 1 15 ALA HA 1 42 GLN HB3 . . 4.460 4.471 4.260 4.633 0.173 11 0 "[ . 1 . 2]" 1
362 1 15 ALA HA 1 42 GLN QG . . 3.790 2.008 1.882 2.391 . 0 0 "[ . 1 . 2]" 1
363 1 15 ALA MB 1 16 MET H . . 3.810 3.219 2.951 3.480 . 0 0 "[ . 1 . 2]" 1
364 1 15 ALA MB 1 16 MET HA . . 4.480 4.385 4.220 4.531 0.051 6 0 "[ . 1 . 2]" 1
365 1 15 ALA MB 1 16 MET HB2 . . 5.500 5.219 5.054 5.411 . 0 0 "[ . 1 . 2]" 1
366 1 15 ALA MB 1 16 MET HG2 . . 5.500 5.315 4.617 5.580 0.080 8 0 "[ . 1 . 2]" 1
367 1 15 ALA MB 1 16 MET HG3 . . 5.480 5.213 5.006 5.587 0.107 15 0 "[ . 1 . 2]" 1
368 1 15 ALA MB 1 41 ASN H . . 5.500 5.531 5.276 5.605 0.105 13 0 "[ . 1 . 2]" 1
369 1 15 ALA MB 1 41 ASN QB . . 4.970 3.453 2.895 4.148 . 0 0 "[ . 1 . 2]" 1
370 1 15 ALA MB 1 41 ASN QD . . 3.970 2.185 1.693 3.221 . 0 0 "[ . 1 . 2]" 1
371 1 15 ALA MB 1 42 GLN HA . . 4.880 4.847 4.510 4.964 0.084 12 0 "[ . 1 . 2]" 1
372 1 15 ALA MB 1 42 GLN HB2 . . 5.500 5.045 4.810 5.211 . 0 0 "[ . 1 . 2]" 1
373 1 15 ALA MB 1 42 GLN HB3 . . 5.500 5.208 4.974 5.411 . 0 0 "[ . 1 . 2]" 1
374 1 15 ALA MB 1 42 GLN HE21 . . 5.020 3.616 2.695 4.475 . 0 0 "[ . 1 . 2]" 1
375 1 15 ALA MB 1 42 GLN HE22 . . 5.200 4.046 3.372 4.763 . 0 0 "[ . 1 . 2]" 1
376 1 15 ALA MB 1 42 GLN QG . . 4.070 2.790 2.598 2.921 . 0 0 "[ . 1 . 2]" 1
377 1 16 MET H 1 16 MET HB2 . . 4.090 2.520 2.422 2.602 . 0 0 "[ . 1 . 2]" 1
378 1 16 MET H 1 16 MET HB3 . . 3.690 3.679 3.613 3.739 0.049 2 0 "[ . 1 . 2]" 1
379 1 16 MET H 1 16 MET HG2 . . 4.050 3.365 2.594 3.734 . 0 0 "[ . 1 . 2]" 1
380 1 16 MET H 1 16 MET HG3 . . 3.970 2.726 2.390 3.258 . 0 0 "[ . 1 . 2]" 1
381 1 16 MET H 1 17 SER H . . 4.600 4.538 4.374 4.645 0.045 7 0 "[ . 1 . 2]" 1
382 1 16 MET H 1 41 ASN QB . . 4.330 2.748 2.661 3.091 . 0 0 "[ . 1 . 2]" 1
383 1 16 MET H 1 41 ASN QD . . 5.130 3.589 2.450 4.310 . 0 0 "[ . 1 . 2]" 1
384 1 16 MET H 1 42 GLN HA . . 4.830 3.517 3.306 3.697 . 0 0 "[ . 1 . 2]" 1
385 1 16 MET H 1 42 GLN HB2 . . 5.390 5.483 5.381 5.575 0.185 16 0 "[ . 1 . 2]" 1
386 1 16 MET H 1 42 GLN HB3 . . 5.500 5.510 5.282 5.585 0.085 9 0 "[ . 1 . 2]" 1
387 1 16 MET H 1 42 GLN QG . . 4.660 3.313 3.046 3.916 . 0 0 "[ . 1 . 2]" 1
388 1 16 MET HA 1 16 MET ME . . 4.310 4.375 4.218 4.419 0.109 20 0 "[ . 1 . 2]" 1
389 1 16 MET HA 1 16 MET HG2 . . 3.740 2.368 2.264 2.770 . 0 0 "[ . 1 . 2]" 1
390 1 16 MET HA 1 16 MET HG3 . . 4.170 3.326 3.018 3.808 . 0 0 "[ . 1 . 2]" 1
391 1 16 MET HA 1 17 SER H . . 2.930 2.428 2.251 2.648 . 0 0 "[ . 1 . 2]" 1
392 1 16 MET HA 1 17 SER HA . . 4.430 4.463 4.413 4.503 0.073 20 0 "[ . 1 . 2]" 1
393 1 16 MET HA 1 17 SER HB2 . . 4.910 4.590 4.136 4.975 0.065 20 0 "[ . 1 . 2]" 1
394 1 16 MET HA 1 17 SER HB3 . . 4.650 4.789 4.696 4.991 0.341 3 0 "[ . 1 . 2]" 1
395 1 16 MET HB2 1 17 SER H . . 3.760 3.508 3.015 3.770 0.010 18 0 "[ . 1 . 2]" 1
396 1 16 MET HB2 1 18 ARG HA . . 5.470 5.127 4.636 5.536 0.066 1 0 "[ . 1 . 2]" 1
397 1 16 MET HB3 1 17 SER H . . 3.450 2.361 2.054 2.590 . 0 0 "[ . 1 . 2]" 1
398 1 16 MET HB3 1 17 SER HA . . 5.500 4.684 4.528 4.792 . 0 0 "[ . 1 . 2]" 1
399 1 16 MET HB3 1 17 SER HB3 . . 5.150 4.358 3.853 4.842 . 0 0 "[ . 1 . 2]" 1
400 1 16 MET ME 1 16 MET HG2 . . 3.200 2.383 2.204 2.569 . 0 0 "[ . 1 . 2]" 1
401 1 16 MET ME 1 16 MET HG3 . . 2.990 2.484 2.171 2.596 . 0 0 "[ . 1 . 2]" 1
402 1 16 MET ME 1 43 VAL H . . 4.320 4.278 3.999 4.442 0.122 18 0 "[ . 1 . 2]" 1
403 1 16 MET ME 1 43 VAL QG . . 3.640 2.477 2.132 2.912 . 0 0 "[ . 1 . 2]" 1
404 1 16 MET ME 1 95 MET HA . . 3.700 3.471 3.093 3.714 0.014 11 0 "[ . 1 . 2]" 1
405 1 16 MET ME 1 96 CYS H . . 5.170 4.860 4.504 5.080 . 0 0 "[ . 1 . 2]" 1
406 1 16 MET ME 1 98 THR H . . 4.430 4.297 3.884 4.535 0.105 15 0 "[ . 1 . 2]" 1
407 1 16 MET ME 1 98 THR HA . . 5.390 4.988 4.518 5.319 . 0 0 "[ . 1 . 2]" 1
408 1 16 MET ME 1 98 THR HB . . 3.360 3.015 2.370 3.482 0.122 18 0 "[ . 1 . 2]" 1
409 1 16 MET ME 1 98 THR MG . . 3.190 2.869 2.229 3.263 0.073 5 0 "[ . 1 . 2]" 1
410 1 16 MET ME 1 99 GLN H . . 3.490 2.715 2.382 2.909 . 0 0 "[ . 1 . 2]" 1
411 1 16 MET ME 1 99 GLN HA . . 3.630 3.034 2.709 3.284 . 0 0 "[ . 1 . 2]" 1
412 1 16 MET ME 1 99 GLN HB2 . . 2.870 2.064 1.952 2.245 . 0 0 "[ . 1 . 2]" 1
413 1 16 MET ME 1 99 GLN HE21 . . 5.270 4.741 4.000 5.119 . 0 0 "[ . 1 . 2]" 1
414 1 16 MET ME 1 99 GLN HE22 . . 4.670 4.295 3.235 4.738 0.068 20 0 "[ . 1 . 2]" 1
415 1 16 MET ME 1 99 GLN HG2 . . 4.220 3.519 3.172 3.783 . 0 0 "[ . 1 . 2]" 1
416 1 16 MET ME 1 99 GLN HG3 . . 4.210 4.279 4.077 4.327 0.117 20 0 "[ . 1 . 2]" 1
417 1 16 MET HG2 1 17 SER H . . 4.880 4.152 3.903 4.638 . 0 0 "[ . 1 . 2]" 1
418 1 16 MET HG3 1 17 SER H . . 4.910 4.913 4.786 4.986 0.076 15 0 "[ . 1 . 2]" 1
419 1 16 MET HG3 1 42 GLN HA . . 5.500 3.504 3.062 3.872 . 0 0 "[ . 1 . 2]" 1
420 1 16 MET HG3 1 43 VAL H . . 5.500 4.760 4.279 5.366 . 0 0 "[ . 1 . 2]" 1
421 1 17 SER H 1 17 SER HB2 . . 3.210 2.701 2.470 3.010 . 0 0 "[ . 1 . 2]" 1
422 1 17 SER H 1 17 SER HB3 . . 3.160 2.428 2.201 2.780 . 0 0 "[ . 1 . 2]" 1
423 1 17 SER H 1 18 ARG H . . 4.700 4.508 4.339 4.618 . 0 0 "[ . 1 . 2]" 1
424 1 17 SER H 1 19 PRO HD3 . . 5.500 5.281 4.811 5.556 0.056 20 0 "[ . 1 . 2]" 1
425 1 17 SER HA 1 18 ARG H . . 2.930 2.346 2.092 2.615 . 0 0 "[ . 1 . 2]" 1
426 1 17 SER HB2 1 18 ARG H . . 4.020 3.952 3.722 4.126 0.106 7 0 "[ . 1 . 2]" 1
427 1 17 SER HB3 1 18 ARG H . . 4.400 3.706 3.355 4.115 . 0 0 "[ . 1 . 2]" 1
428 1 18 ARG H 1 18 ARG HB2 . . 3.720 3.597 3.477 3.715 . 0 0 "[ . 1 . 2]" 1
429 1 18 ARG H 1 18 ARG QD . . 5.040 3.984 3.833 4.193 . 0 0 "[ . 1 . 2]" 1
430 1 18 ARG H 1 18 ARG HE . . 5.500 4.629 3.638 5.368 . 0 0 "[ . 1 . 2]" 1
431 1 18 ARG H 1 18 ARG HG2 . . 4.550 2.118 1.886 2.460 . 0 0 "[ . 1 . 2]" 1
432 1 18 ARG H 1 18 ARG HG3 . . 3.840 2.802 1.909 3.699 . 0 0 "[ . 1 . 2]" 1
433 1 18 ARG H 1 19 PRO HD2 . . 5.250 5.018 4.903 5.297 0.047 1 0 "[ . 1 . 2]" 1
434 1 18 ARG H 1 19 PRO HD3 . . 5.390 4.690 4.334 4.923 . 0 0 "[ . 1 . 2]" 1
435 1 18 ARG HA 1 19 PRO HD2 . . 3.680 2.289 2.177 2.657 . 0 0 "[ . 1 . 2]" 1
436 1 18 ARG HA 1 19 PRO HD3 . . 3.510 2.404 2.093 2.558 . 0 0 "[ . 1 . 2]" 1
437 1 18 ARG HA 1 19 PRO QG . . 4.550 4.007 3.930 4.090 . 0 0 "[ . 1 . 2]" 1
438 1 18 ARG HA 1 41 ASN HA . . 5.170 4.483 4.225 4.763 . 0 0 "[ . 1 . 2]" 1
439 1 18 ARG HA 1 91 VAL QG . . 5.170 4.546 3.924 4.994 . 0 0 "[ . 1 . 2]" 1
440 1 18 ARG HB2 1 18 ARG HE . . 5.160 4.279 2.435 4.866 . 0 0 "[ . 1 . 2]" 1
441 1 18 ARG HB2 1 18 ARG HG2 . . 3.030 3.027 2.955 3.056 0.026 14 0 "[ . 1 . 2]" 1
442 1 18 ARG HB3 1 18 ARG HE . . 5.150 4.069 2.368 5.069 . 0 0 "[ . 1 . 2]" 1
443 1 18 ARG HB3 1 19 PRO HD2 . . 5.500 4.000 3.664 4.493 . 0 0 "[ . 1 . 2]" 1
444 1 18 ARG HB3 1 41 ASN HA . . 5.250 5.299 5.115 5.337 0.087 8 0 "[ . 1 . 2]" 1
445 1 18 ARG HB3 1 41 ASN QB . . 5.110 4.433 3.699 4.909 . 0 0 "[ . 1 . 2]" 1
446 1 18 ARG QD 1 36 MET H . . 5.500 4.802 4.465 5.164 . 0 0 "[ . 1 . 2]" 1
447 1 18 ARG QD 1 36 MET HB3 . . 5.240 3.987 3.475 4.317 . 0 0 "[ . 1 . 2]" 1
448 1 18 ARG QD 1 36 MET ME . . 4.020 2.752 2.112 3.557 . 0 0 "[ . 1 . 2]" 1
449 1 18 ARG QD 1 36 MET HG3 . . 4.290 2.117 1.863 2.566 . 0 0 "[ . 1 . 2]" 1
450 1 18 ARG QD 1 37 TYR H . . 3.790 3.280 2.840 3.683 . 0 0 "[ . 1 . 2]" 1
451 1 18 ARG QD 1 37 TYR HB3 . . 3.320 2.882 2.372 3.304 . 0 0 "[ . 1 . 2]" 1
452 1 18 ARG QD 1 37 TYR QD . . 2.880 2.717 2.310 2.900 0.020 19 0 "[ . 1 . 2]" 1
453 1 18 ARG HE 1 36 MET HB2 . . 5.500 5.044 4.330 5.562 0.062 13 0 "[ . 1 . 2]" 1
454 1 18 ARG HE 1 37 TYR QD . . 5.500 3.669 2.721 4.909 . 0 0 "[ . 1 . 2]" 1
455 1 18 ARG HG3 1 37 TYR QD . . 5.270 5.256 4.663 5.778 0.508 8 1 "[ . + 1 . 2]" 1
456 1 19 PRO HA 1 20 MET H . . 2.870 2.501 2.288 2.697 . 0 0 "[ . 1 . 2]" 1
457 1 19 PRO HA 1 20 MET HA . . 5.400 4.440 4.346 4.531 . 0 0 "[ . 1 . 2]" 1
458 1 19 PRO HA 1 20 MET QB . . 4.620 3.989 3.740 4.134 . 0 0 "[ . 1 . 2]" 1
459 1 19 PRO HA 1 20 MET ME . . 5.100 5.189 5.033 5.218 0.118 12 0 "[ . 1 . 2]" 1
460 1 19 PRO HA 1 36 MET ME . . 5.500 5.301 4.772 5.599 0.099 20 0 "[ . 1 . 2]" 1
461 1 19 PRO HB2 1 20 MET H . . 3.980 2.540 2.191 3.082 . 0 0 "[ . 1 . 2]" 1
462 1 19 PRO HB2 1 21 ILE MD . . 3.630 3.164 2.414 3.679 0.049 9 0 "[ . 1 . 2]" 1
463 1 19 PRO HB2 1 21 ILE HG12 . . 5.160 3.296 2.887 3.619 . 0 0 "[ . 1 . 2]" 1
464 1 19 PRO HB2 1 21 ILE HG13 . . 5.090 2.996 2.268 3.448 . 0 0 "[ . 1 . 2]" 1
465 1 19 PRO HB2 1 21 ILE MG . . 5.500 5.234 4.804 5.544 0.044 19 0 "[ . 1 . 2]" 1
466 1 19 PRO HB2 1 94 GLN HE21 . . 5.500 4.501 3.674 5.539 0.039 1 0 "[ . 1 . 2]" 1
467 1 19 PRO HB2 1 94 GLN HE22 . . 5.500 3.651 2.602 5.249 . 0 0 "[ . 1 . 2]" 1
468 1 19 PRO HB2 1 94 GLN HG3 . . 4.830 4.343 2.710 4.828 . 0 0 "[ . 1 . 2]" 1
469 1 19 PRO HB3 1 20 MET H . . 4.110 3.493 2.664 3.735 . 0 0 "[ . 1 . 2]" 1
470 1 19 PRO HB3 1 21 ILE MD . . 4.900 4.209 3.401 4.663 . 0 0 "[ . 1 . 2]" 1
471 1 19 PRO HB3 1 94 GLN HE22 . . 5.500 2.783 2.222 3.967 . 0 0 "[ . 1 . 2]" 1
472 1 19 PRO HD2 1 91 VAL QG . . 3.780 2.998 2.327 3.453 . 0 0 "[ . 1 . 2]" 1
473 1 19 PRO HD3 1 91 VAL QG . . 4.620 3.892 3.143 4.409 . 0 0 "[ . 1 . 2]" 1
474 1 19 PRO HD3 1 95 MET ME . . 5.500 4.132 3.601 4.746 . 0 0 "[ . 1 . 2]" 1
475 1 19 PRO HD3 1 95 MET HG2 . . 5.500 3.818 3.445 4.459 . 0 0 "[ . 1 . 2]" 1
476 1 19 PRO HD3 1 95 MET HG3 . . 5.460 3.677 3.339 4.006 . 0 0 "[ . 1 . 2]" 1
477 1 19 PRO QG 1 21 ILE MD . . 3.750 2.409 2.172 2.765 . 0 0 "[ . 1 . 2]" 1
478 1 19 PRO QG 1 21 ILE HG12 . . 5.500 3.763 3.435 4.496 . 0 0 "[ . 1 . 2]" 1
479 1 19 PRO QG 1 21 ILE HG13 . . 4.760 2.776 2.473 4.035 . 0 0 "[ . 1 . 2]" 1
480 1 19 PRO QG 1 21 ILE MG . . 5.500 4.853 4.601 5.507 0.007 1 0 "[ . 1 . 2]" 1
481 1 19 PRO QG 1 91 VAL HA . . 4.550 2.707 2.522 2.881 . 0 0 "[ . 1 . 2]" 1
482 1 19 PRO QG 1 91 VAL QG . . 3.740 2.358 1.997 2.929 . 0 0 "[ . 1 . 2]" 1
483 1 19 PRO QG 1 92 VAL H . . 5.500 5.580 5.544 5.602 0.102 12 0 "[ . 1 . 2]" 1
484 1 19 PRO QG 1 95 MET H . . 5.420 4.414 3.495 4.798 . 0 0 "[ . 1 . 2]" 1
485 1 19 PRO QG 1 95 MET HG3 . . 4.340 2.857 2.377 3.811 . 0 0 "[ . 1 . 2]" 1
486 1 20 MET H 1 20 MET QB . . 3.390 2.454 2.347 2.548 . 0 0 "[ . 1 . 2]" 1
487 1 20 MET H 1 20 MET ME . . 4.340 4.303 4.216 4.415 0.075 17 0 "[ . 1 . 2]" 1
488 1 20 MET H 1 20 MET HG2 . . 4.690 4.762 4.729 4.865 0.175 13 0 "[ . 1 . 2]" 1
489 1 20 MET H 1 20 MET HG3 . . 4.780 4.474 4.416 4.570 . 0 0 "[ . 1 . 2]" 1
490 1 20 MET H 1 21 ILE H . . 4.820 4.340 4.140 4.565 . 0 0 "[ . 1 . 2]" 1
491 1 20 MET H 1 21 ILE HA . . 5.500 5.004 4.747 5.345 . 0 0 "[ . 1 . 2]" 1
492 1 20 MET HA 1 20 MET ME . . 3.750 1.911 1.838 2.111 . 0 0 "[ . 1 . 2]" 1
493 1 20 MET HA 1 21 ILE H . . 3.350 2.174 2.042 2.291 . 0 0 "[ . 1 . 2]" 1
494 1 20 MET HA 1 21 ILE HA . . 4.850 4.439 4.395 4.496 . 0 0 "[ . 1 . 2]" 1
495 1 20 MET HA 1 21 ILE HB . . 5.290 4.520 4.179 4.750 . 0 0 "[ . 1 . 2]" 1
496 1 20 MET HA 1 21 ILE MD . . 5.070 5.013 4.520 5.157 0.087 17 0 "[ . 1 . 2]" 1
497 1 20 MET HA 1 21 ILE HG13 . . 5.230 3.564 3.015 3.751 . 0 0 "[ . 1 . 2]" 1
498 1 20 MET HA 1 32 TYR QD . . 4.010 3.992 3.761 4.094 0.084 5 0 "[ . 1 . 2]" 1
499 1 20 MET HA 1 32 TYR QE . . 2.990 2.233 2.023 2.422 . 0 0 "[ . 1 . 2]" 1
500 1 20 MET HA 1 36 MET ME . . 3.690 3.598 3.339 3.785 0.095 18 0 "[ . 1 . 2]" 1
501 1 20 MET QB 1 21 ILE H . . 4.430 3.820 3.665 3.954 . 0 0 "[ . 1 . 2]" 1
502 1 20 MET QB 1 32 TYR QE . . 5.450 4.329 3.833 4.569 . 0 0 "[ . 1 . 2]" 1
503 1 20 MET ME 1 20 MET HG2 . . 3.310 3.270 2.372 3.393 0.083 1 0 "[ . 1 . 2]" 1
504 1 20 MET ME 1 20 MET HG3 . . 2.930 2.415 2.129 3.379 0.449 13 0 "[ . 1 . 2]" 1
505 1 20 MET ME 1 21 ILE H . . 4.300 2.424 2.036 3.080 . 0 0 "[ . 1 . 2]" 1
506 1 20 MET ME 1 21 ILE HG12 . . 5.500 5.464 5.101 5.633 0.133 7 0 "[ . 1 . 2]" 1
507 1 20 MET ME 1 21 ILE MG . . 5.500 5.293 5.052 5.648 0.148 7 0 "[ . 1 . 2]" 1
508 1 20 MET ME 1 22 HIS HE1 . . 5.470 5.441 4.259 5.575 0.105 13 0 "[ . 1 . 2]" 1
509 1 20 MET ME 1 23 PHE QE . . 5.260 5.021 4.698 5.360 0.100 13 0 "[ . 1 . 2]" 1
510 1 20 MET ME 1 32 TYR HB3 . . 5.270 4.213 4.056 4.511 . 0 0 "[ . 1 . 2]" 1
511 1 20 MET ME 1 32 TYR QD . . 4.100 2.408 2.268 2.557 . 0 0 "[ . 1 . 2]" 1
512 1 20 MET ME 1 32 TYR QE . . 4.100 2.092 2.008 2.210 . 0 0 "[ . 1 . 2]" 1
513 1 20 MET ME 1 33 ARG H . . 5.110 4.076 3.784 4.297 . 0 0 "[ . 1 . 2]" 1
514 1 20 MET ME 1 33 ARG HA . . 4.010 3.021 2.256 3.444 . 0 0 "[ . 1 . 2]" 1
515 1 20 MET ME 1 33 ARG HD2 . . 4.150 3.364 2.654 4.228 0.078 8 0 "[ . 1 . 2]" 1
516 1 20 MET ME 1 33 ARG HD3 . . 4.230 4.159 3.767 4.352 0.122 17 0 "[ . 1 . 2]" 1
517 1 20 MET ME 1 33 ARG HG2 . . 3.590 2.493 2.045 3.429 . 0 0 "[ . 1 . 2]" 1
518 1 20 MET ME 1 33 ARG HG3 . . 2.400 2.222 2.022 2.466 0.066 10 0 "[ . 1 . 2]" 1
519 1 20 MET ME 1 36 MET HB2 . . 4.270 3.843 3.340 4.367 0.097 15 0 "[ . 1 . 2]" 1
520 1 20 MET ME 1 36 MET ME . . 3.030 1.895 1.804 1.984 . 0 0 "[ . 1 . 2]" 1
521 1 20 MET HG2 1 21 ILE H . . 5.170 4.503 4.119 4.846 . 0 0 "[ . 1 . 2]" 1
522 1 20 MET HG2 1 22 HIS HD2 . . 4.940 4.287 3.916 4.990 0.050 15 0 "[ . 1 . 2]" 1
523 1 20 MET HG2 1 22 HIS HE1 . . 4.440 3.760 2.629 4.562 0.122 7 0 "[ . 1 . 2]" 1
524 1 20 MET HG2 1 32 TYR QE . . 5.500 5.475 4.696 5.601 0.101 8 0 "[ . 1 . 2]" 1
525 1 20 MET HG2 1 36 MET ME . . 5.030 4.798 3.737 5.133 0.103 14 0 "[ . 1 . 2]" 1
526 1 20 MET HG3 1 21 ILE H . . 4.690 2.941 2.558 3.369 . 0 0 "[ . 1 . 2]" 1
527 1 20 MET HG3 1 22 HIS HD2 . . 5.150 2.971 2.402 3.532 . 0 0 "[ . 1 . 2]" 1
528 1 20 MET HG3 1 22 HIS HE1 . . 4.500 4.020 2.997 4.550 0.050 10 0 "[ . 1 . 2]" 1
529 1 20 MET HG3 1 32 TYR QE . . 4.600 4.294 4.032 4.907 0.307 7 0 "[ . 1 . 2]" 1
530 1 21 ILE H 1 21 ILE HB . . 3.610 2.795 2.526 2.941 . 0 0 "[ . 1 . 2]" 1
531 1 21 ILE H 1 21 ILE MD . . 4.470 4.331 4.111 4.467 . 0 0 "[ . 1 . 2]" 1
532 1 21 ILE H 1 21 ILE HG12 . . 4.490 3.804 3.654 3.933 . 0 0 "[ . 1 . 2]" 1
533 1 21 ILE H 1 21 ILE HG13 . . 4.270 2.999 2.790 3.167 . 0 0 "[ . 1 . 2]" 1
534 1 21 ILE H 1 21 ILE MG . . 4.280 3.919 3.808 3.997 . 0 0 "[ . 1 . 2]" 1
535 1 21 ILE H 1 22 HIS H . . 4.940 4.052 3.875 4.211 . 0 0 "[ . 1 . 2]" 1
536 1 21 ILE H 1 23 PHE QE . . 5.500 4.354 4.204 4.674 . 0 0 "[ . 1 . 2]" 1
537 1 21 ILE H 1 32 TYR QD . . 4.870 3.007 2.696 3.256 . 0 0 "[ . 1 . 2]" 1
538 1 21 ILE H 1 32 TYR QE . . 3.220 2.343 1.958 2.635 . 0 0 "[ . 1 . 2]" 1
539 1 21 ILE H 1 91 VAL QG . . 5.500 5.156 4.850 5.412 . 0 0 "[ . 1 . 2]" 1
540 1 21 ILE HA 1 21 ILE MD . . 4.220 3.840 3.740 3.902 . 0 0 "[ . 1 . 2]" 1
541 1 21 ILE HA 1 21 ILE HG12 . . 3.870 2.592 2.483 2.694 . 0 0 "[ . 1 . 2]" 1
542 1 21 ILE HA 1 21 ILE MG . . 3.430 2.427 2.313 2.538 . 0 0 "[ . 1 . 2]" 1
543 1 21 ILE HA 1 22 HIS H . . 2.920 2.154 2.006 2.246 . 0 0 "[ . 1 . 2]" 1
544 1 21 ILE HA 1 22 HIS HB2 . . 5.100 4.568 4.321 4.752 . 0 0 "[ . 1 . 2]" 1
545 1 21 ILE HA 1 22 HIS HD2 . . 4.270 4.233 3.449 4.360 0.090 15 0 "[ . 1 . 2]" 1
546 1 21 ILE HB 1 22 HIS H . . 4.410 4.248 4.005 4.386 . 0 0 "[ . 1 . 2]" 1
547 1 21 ILE HB 1 23 PHE QD . . 4.710 4.218 3.866 4.475 . 0 0 "[ . 1 . 2]" 1
548 1 21 ILE HB 1 23 PHE QE . . 3.530 2.894 2.537 3.212 . 0 0 "[ . 1 . 2]" 1
549 1 21 ILE HB 1 23 PHE HZ . . 4.360 3.214 2.888 3.644 . 0 0 "[ . 1 . 2]" 1
550 1 21 ILE HB 1 32 TYR QD . . 4.750 3.771 3.253 4.042 . 0 0 "[ . 1 . 2]" 1
551 1 21 ILE HB 1 32 TYR QE . . 4.200 3.485 3.188 3.755 . 0 0 "[ . 1 . 2]" 1
552 1 21 ILE HB 1 90 ARG HG3 . . 5.500 5.292 4.738 6.138 0.638 1 1 "[+ . 1 . 2]" 1
553 1 21 ILE HB 1 91 VAL QG . . 4.670 3.771 3.503 4.244 . 0 0 "[ . 1 . 2]" 1
554 1 21 ILE MD 1 21 ILE MG . . 3.280 2.019 1.946 2.054 . 0 0 "[ . 1 . 2]" 1
555 1 21 ILE MD 1 23 PHE QD . . 4.960 4.926 4.539 5.074 0.114 15 0 "[ . 1 . 2]" 1
556 1 21 ILE MD 1 23 PHE QE . . 4.000 3.757 3.314 3.959 . 0 0 "[ . 1 . 2]" 1
557 1 21 ILE MD 1 23 PHE HZ . . 3.880 3.433 3.092 3.730 . 0 0 "[ . 1 . 2]" 1
558 1 21 ILE MD 1 32 TYR QD . . 4.690 4.632 4.289 4.803 0.113 8 0 "[ . 1 . 2]" 1
559 1 21 ILE MD 1 32 TYR QE . . 4.000 3.623 3.100 3.876 . 0 0 "[ . 1 . 2]" 1
560 1 21 ILE MD 1 87 MET ME . . 5.500 5.594 5.503 5.627 0.127 15 0 "[ . 1 . 2]" 1
561 1 21 ILE MD 1 90 ARG H . . 4.940 4.209 3.913 4.572 . 0 0 "[ . 1 . 2]" 1
562 1 21 ILE MD 1 90 ARG HA . . 4.890 3.869 3.640 4.034 . 0 0 "[ . 1 . 2]" 1
563 1 21 ILE MD 1 90 ARG HB2 . . 4.940 2.513 1.980 2.853 . 0 0 "[ . 1 . 2]" 1
564 1 21 ILE MD 1 90 ARG HB3 . . 3.700 2.269 2.034 2.534 . 0 0 "[ . 1 . 2]" 1
565 1 21 ILE MD 1 90 ARG HD2 . . 4.970 4.899 4.431 5.194 0.224 1 0 "[ . 1 . 2]" 1
566 1 21 ILE MD 1 90 ARG HD3 . . 5.130 4.662 3.873 5.222 0.092 14 0 "[ . 1 . 2]" 1
567 1 21 ILE MD 1 90 ARG HG2 . . 4.900 4.426 3.812 4.803 . 0 0 "[ . 1 . 2]" 1
568 1 21 ILE MD 1 90 ARG HG3 . . 4.820 3.924 3.474 4.235 . 0 0 "[ . 1 . 2]" 1
569 1 21 ILE MD 1 91 VAL H . . 3.890 2.816 2.617 3.071 . 0 0 "[ . 1 . 2]" 1
570 1 21 ILE MD 1 91 VAL HA . . 3.380 2.089 1.965 2.324 . 0 0 "[ . 1 . 2]" 1
571 1 21 ILE MD 1 91 VAL HB . . 4.000 3.458 2.796 3.862 . 0 0 "[ . 1 . 2]" 1
572 1 21 ILE MD 1 91 VAL QG . . 3.830 2.030 1.933 2.196 . 0 0 "[ . 1 . 2]" 1
573 1 21 ILE MD 1 92 VAL H . . 5.500 4.745 4.620 4.910 . 0 0 "[ . 1 . 2]" 1
574 1 21 ILE MD 1 94 GLN H . . 5.500 4.175 3.734 4.511 . 0 0 "[ . 1 . 2]" 1
575 1 21 ILE MD 1 94 GLN HB3 . . 4.600 4.059 3.176 4.501 . 0 0 "[ . 1 . 2]" 1
576 1 21 ILE MD 1 94 GLN HE21 . . 5.090 4.714 4.108 5.186 0.096 18 0 "[ . 1 . 2]" 1
577 1 21 ILE MD 1 94 GLN HE22 . . 5.440 4.919 4.153 5.551 0.111 15 0 "[ . 1 . 2]" 1
578 1 21 ILE MD 1 94 GLN HG2 . . 4.140 2.592 2.270 3.666 . 0 0 "[ . 1 . 2]" 1
579 1 21 ILE MD 1 94 GLN HG3 . . 4.360 3.040 2.255 3.438 . 0 0 "[ . 1 . 2]" 1
580 1 21 ILE MD 1 95 MET ME . . 5.500 4.927 4.200 5.630 0.130 20 0 "[ . 1 . 2]" 1
581 1 21 ILE HG12 1 22 HIS H . . 5.300 4.652 4.416 4.862 . 0 0 "[ . 1 . 2]" 1
582 1 21 ILE HG12 1 32 TYR QE . . 5.450 4.767 4.238 5.046 . 0 0 "[ . 1 . 2]" 1
583 1 21 ILE HG12 1 91 VAL QG . . 5.500 4.231 3.933 4.508 . 0 0 "[ . 1 . 2]" 1
584 1 21 ILE HG13 1 22 HIS H . . 5.500 5.321 5.203 5.462 . 0 0 "[ . 1 . 2]" 1
585 1 21 ILE HG13 1 23 PHE QE . . 5.500 4.965 4.692 5.229 . 0 0 "[ . 1 . 2]" 1
586 1 21 ILE HG13 1 32 TYR QE . . 4.630 3.335 2.698 3.675 . 0 0 "[ . 1 . 2]" 1
587 1 21 ILE HG13 1 91 VAL QG . . 4.900 3.236 2.943 3.625 . 0 0 "[ . 1 . 2]" 1
588 1 21 ILE MG 1 22 HIS H . . 3.420 2.929 2.509 3.226 . 0 0 "[ . 1 . 2]" 1
589 1 21 ILE MG 1 22 HIS HB2 . . 5.500 4.883 4.655 5.183 . 0 0 "[ . 1 . 2]" 1
590 1 21 ILE MG 1 23 PHE H . . 5.230 2.607 2.282 3.491 . 0 0 "[ . 1 . 2]" 1
591 1 21 ILE MG 1 23 PHE HA . . 4.990 3.101 2.828 3.394 . 0 0 "[ . 1 . 2]" 1
592 1 21 ILE MG 1 23 PHE HB2 . . 5.270 4.451 4.269 4.882 . 0 0 "[ . 1 . 2]" 1
593 1 21 ILE MG 1 23 PHE QD . . 3.860 3.051 2.903 3.415 . 0 0 "[ . 1 . 2]" 1
594 1 21 ILE MG 1 23 PHE QE . . 3.530 2.815 2.627 3.109 . 0 0 "[ . 1 . 2]" 1
595 1 21 ILE MG 1 23 PHE HZ . . 3.810 3.088 2.917 3.284 . 0 0 "[ . 1 . 2]" 1
596 1 21 ILE MG 1 32 TYR QD . . 5.420 4.658 4.429 4.903 . 0 0 "[ . 1 . 2]" 1
597 1 21 ILE MG 1 32 TYR QE . . 4.720 4.570 4.325 4.811 0.091 17 0 "[ . 1 . 2]" 1
598 1 21 ILE MG 1 87 MET ME . . 5.500 4.488 4.278 4.902 . 0 0 "[ . 1 . 2]" 1
599 1 21 ILE MG 1 90 ARG HA . . 5.500 4.527 4.317 4.821 . 0 0 "[ . 1 . 2]" 1
600 1 21 ILE MG 1 90 ARG HB2 . . 4.710 2.521 2.151 2.935 . 0 0 "[ . 1 . 2]" 1
601 1 21 ILE MG 1 90 ARG HB3 . . 4.220 2.435 2.196 2.657 . 0 0 "[ . 1 . 2]" 1
602 1 21 ILE MG 1 90 ARG HD2 . . 4.810 4.171 3.639 4.927 0.117 9 0 "[ . 1 . 2]" 1
603 1 21 ILE MG 1 90 ARG HD3 . . 4.830 4.412 3.726 4.916 0.086 14 0 "[ . 1 . 2]" 1
604 1 21 ILE MG 1 90 ARG HE . . 5.500 5.403 4.683 5.603 0.103 19 0 "[ . 1 . 2]" 1
605 1 21 ILE MG 1 90 ARG HG2 . . 4.220 3.862 2.617 4.286 0.066 6 0 "[ . 1 . 2]" 1
606 1 21 ILE MG 1 90 ARG HG3 . . 4.890 2.845 2.517 3.409 . 0 0 "[ . 1 . 2]" 1
607 1 21 ILE MG 1 91 VAL HA . . 5.500 4.693 4.385 5.049 . 0 0 "[ . 1 . 2]" 1
608 1 21 ILE MG 1 91 VAL QG . . 5.010 3.824 3.471 4.224 . 0 0 "[ . 1 . 2]" 1
609 1 21 ILE MG 1 94 GLN HB3 . . 5.500 5.533 5.321 6.100 0.600 14 1 "[ . 1 +. 2]" 1
610 1 21 ILE MG 1 94 GLN HG2 . . 5.500 4.425 3.993 5.370 . 0 0 "[ . 1 . 2]" 1
611 1 21 ILE MG 1 94 GLN HG3 . . 5.500 5.391 4.446 5.590 0.090 13 0 "[ . 1 . 2]" 1
612 1 22 HIS H 1 22 HIS HB2 . . 3.580 2.539 2.359 2.819 . 0 0 "[ . 1 . 2]" 1
613 1 22 HIS H 1 22 HIS HB3 . . 3.810 3.676 3.541 3.768 . 0 0 "[ . 1 . 2]" 1
614 1 22 HIS H 1 22 HIS HD2 . . 3.760 3.521 2.788 3.833 0.073 9 0 "[ . 1 . 2]" 1
615 1 22 HIS H 1 23 PHE H . . 4.970 2.466 1.902 3.885 . 0 0 "[ . 1 . 2]" 1
616 1 22 HIS H 1 23 PHE HA . . 5.250 4.302 4.051 4.521 . 0 0 "[ . 1 . 2]" 1
617 1 22 HIS H 1 23 PHE QD . . 4.660 4.401 3.974 4.731 0.071 3 0 "[ . 1 . 2]" 1
618 1 22 HIS HA 1 22 HIS HD2 . . 4.730 2.478 2.273 2.820 . 0 0 "[ . 1 . 2]" 1
619 1 22 HIS HA 1 23 PHE H . . 3.430 3.174 2.163 3.472 0.042 19 0 "[ . 1 . 2]" 1
620 1 22 HIS HA 1 23 PHE HB2 . . 5.500 4.552 4.357 4.754 . 0 0 "[ . 1 . 2]" 1
621 1 22 HIS HA 1 23 PHE QD . . 3.910 2.986 2.798 3.257 . 0 0 "[ . 1 . 2]" 1
622 1 22 HIS HA 1 29 ASP H . . 3.890 3.946 3.829 3.978 0.088 3 0 "[ . 1 . 2]" 1
623 1 22 HIS HA 1 29 ASP HA . . 4.080 2.476 2.107 3.045 . 0 0 "[ . 1 . 2]" 1
624 1 22 HIS HB2 1 22 HIS HE1 . . 4.800 4.847 4.773 4.879 0.079 10 0 "[ . 1 . 2]" 1
625 1 22 HIS HB2 1 23 PHE H . . 4.700 3.479 2.978 4.437 . 0 0 "[ . 1 . 2]" 1
626 1 22 HIS HB2 1 24 GLY H . . 4.990 4.038 3.569 4.753 . 0 0 "[ . 1 . 2]" 1
627 1 22 HIS HB3 1 22 HIS HD2 . . 3.650 3.477 3.053 3.730 0.080 10 0 "[ . 1 . 2]" 1
628 1 22 HIS HB3 1 22 HIS HE1 . . 5.250 5.035 4.785 5.255 0.005 9 0 "[ . 1 . 2]" 1
629 1 22 HIS HB3 1 23 PHE H . . 4.610 4.120 3.965 4.267 . 0 0 "[ . 1 . 2]" 1
630 1 22 HIS HB3 1 24 GLY H . . 5.250 3.772 3.478 4.141 . 0 0 "[ . 1 . 2]" 1
631 1 22 HIS HB3 1 29 ASP HA . . 4.960 4.303 3.584 5.001 0.041 3 0 "[ . 1 . 2]" 1
632 1 22 HIS HD2 1 23 PHE H . . 5.420 4.940 4.241 5.227 . 0 0 "[ . 1 . 2]" 1
633 1 22 HIS HD2 1 32 TYR QD . . 4.340 4.176 3.740 4.433 0.093 3 0 "[ . 1 . 2]" 1
634 1 23 PHE H 1 23 PHE HB2 . . 4.060 3.466 2.451 3.749 . 0 0 "[ . 1 . 2]" 1
635 1 23 PHE H 1 23 PHE HB3 . . 4.050 3.924 3.480 4.070 0.020 5 0 "[ . 1 . 2]" 1
636 1 23 PHE H 1 23 PHE QD . . 4.060 3.033 1.659 3.498 . 0 0 "[ . 1 . 2]" 1
637 1 23 PHE H 1 23 PHE QE . . 4.740 4.472 3.728 4.791 0.051 18 0 "[ . 1 . 2]" 1
638 1 23 PHE H 1 24 GLY H . . 3.660 3.371 2.858 3.668 0.008 12 0 "[ . 1 . 2]" 1
639 1 23 PHE H 1 24 GLY HA2 . . 5.420 5.289 5.117 5.427 0.007 1 0 "[ . 1 . 2]" 1
640 1 23 PHE H 1 24 GLY HA3 . . 5.490 5.535 5.474 5.568 0.078 3 0 "[ . 1 . 2]" 1
641 1 23 PHE HA 1 23 PHE QD . . 3.370 3.045 2.896 3.253 . 0 0 "[ . 1 . 2]" 1
642 1 23 PHE HA 1 23 PHE QE . . 4.770 4.703 4.524 4.826 0.056 3 0 "[ . 1 . 2]" 1
643 1 23 PHE HA 1 24 GLY HA2 . . 5.250 5.092 4.943 5.210 . 0 0 "[ . 1 . 2]" 1
644 1 23 PHE HA 1 25 ASN H . . 4.870 4.812 4.540 4.938 0.068 13 0 "[ . 1 . 2]" 1
645 1 23 PHE HB2 1 24 GLY H . . 3.960 2.856 2.377 3.245 . 0 0 "[ . 1 . 2]" 1
646 1 23 PHE HB2 1 24 GLY HA3 . . 5.500 4.669 4.437 4.859 . 0 0 "[ . 1 . 2]" 1
647 1 23 PHE HB2 1 25 ASN H . . 4.270 2.774 2.412 2.992 . 0 0 "[ . 1 . 2]" 1
648 1 23 PHE HB2 1 25 ASN HD21 . . 5.500 5.133 4.513 5.582 0.082 8 0 "[ . 1 . 2]" 1
649 1 23 PHE HB2 1 25 ASN HD22 . . 5.210 5.148 4.547 5.295 0.085 11 0 "[ . 1 . 2]" 1
650 1 23 PHE HB2 1 28 GLU HB2 . . 4.610 2.590 2.304 2.796 . 0 0 "[ . 1 . 2]" 1
651 1 23 PHE HB2 1 28 GLU HB3 . . 4.600 2.427 2.241 2.709 . 0 0 "[ . 1 . 2]" 1
652 1 23 PHE HB2 1 29 ASP H . . 5.440 4.040 3.713 4.270 . 0 0 "[ . 1 . 2]" 1
653 1 23 PHE HB3 1 24 GLY H . . 4.260 3.827 3.446 4.118 . 0 0 "[ . 1 . 2]" 1
654 1 23 PHE HB3 1 25 ASN HD22 . . 5.500 5.103 4.629 5.461 . 0 0 "[ . 1 . 2]" 1
655 1 23 PHE HB3 1 28 GLU HB2 . . 4.540 4.012 3.677 4.272 . 0 0 "[ . 1 . 2]" 1
656 1 23 PHE HB3 1 28 GLU HB3 . . 4.930 3.583 3.295 3.775 . 0 0 "[ . 1 . 2]" 1
657 1 23 PHE QD 1 24 GLY H . . 4.240 4.134 3.928 4.313 0.073 6 0 "[ . 1 . 2]" 1
658 1 23 PHE QD 1 28 GLU HB2 . . 4.590 3.570 3.194 4.003 . 0 0 "[ . 1 . 2]" 1
659 1 23 PHE QD 1 28 GLU HB3 . . 4.180 2.580 2.384 2.928 . 0 0 "[ . 1 . 2]" 1
660 1 23 PHE QD 1 29 ASP H . . 4.310 3.562 2.978 4.005 . 0 0 "[ . 1 . 2]" 1
661 1 23 PHE QD 1 29 ASP HA . . 3.290 3.053 2.590 3.377 0.087 4 0 "[ . 1 . 2]" 1
662 1 23 PHE QD 1 32 TYR HB2 . . 5.500 3.915 3.724 4.293 . 0 0 "[ . 1 . 2]" 1
663 1 23 PHE QD 1 86 LYS QE . . 5.500 4.879 4.242 5.448 . 0 0 "[ . 1 . 2]" 1
664 1 23 PHE QD 1 87 MET HA . . 4.740 4.093 3.782 4.416 . 0 0 "[ . 1 . 2]" 1
665 1 23 PHE QD 1 87 MET ME . . 4.030 3.006 2.854 3.417 . 0 0 "[ . 1 . 2]" 1
666 1 23 PHE QD 1 87 MET QG . . 5.500 5.010 4.729 5.247 . 0 0 "[ . 1 . 2]" 1
667 1 23 PHE QE 1 29 ASP HA . . 4.320 3.795 3.006 4.419 0.099 4 0 "[ . 1 . 2]" 1
668 1 23 PHE QE 1 32 TYR H . . 4.760 4.345 3.936 4.787 0.027 6 0 "[ . 1 . 2]" 1
669 1 23 PHE QE 1 32 TYR HB2 . . 4.700 2.295 2.150 2.496 . 0 0 "[ . 1 . 2]" 1
670 1 23 PHE QE 1 32 TYR HB3 . . 4.900 2.794 2.244 3.137 . 0 0 "[ . 1 . 2]" 1
671 1 23 PHE QE 1 32 TYR QD . . 3.410 3.063 2.813 3.242 . 0 0 "[ . 1 . 2]" 1
672 1 23 PHE QE 1 86 LYS QE . . 5.500 5.501 4.989 5.611 0.111 6 0 "[ . 1 . 2]" 1
673 1 23 PHE QE 1 87 MET H . . 5.500 4.570 4.254 4.767 . 0 0 "[ . 1 . 2]" 1
674 1 23 PHE QE 1 87 MET HA . . 3.910 2.067 1.981 2.224 . 0 0 "[ . 1 . 2]" 1
675 1 23 PHE QE 1 87 MET HB3 . . 5.500 3.597 3.265 3.982 . 0 0 "[ . 1 . 2]" 1
676 1 23 PHE QE 1 87 MET ME . . 3.190 2.789 2.648 3.072 . 0 0 "[ . 1 . 2]" 1
677 1 23 PHE QE 1 87 MET QG . . 4.350 3.973 3.616 4.186 . 0 0 "[ . 1 . 2]" 1
678 1 23 PHE QE 1 90 ARG HB2 . . 5.500 2.576 2.261 3.345 . 0 0 "[ . 1 . 2]" 1
679 1 23 PHE QE 1 90 ARG HD2 . . 5.190 4.511 3.874 4.944 . 0 0 "[ . 1 . 2]" 1
680 1 23 PHE QE 1 90 ARG HD3 . . 5.240 4.615 2.290 5.083 . 0 0 "[ . 1 . 2]" 1
681 1 23 PHE QE 1 90 ARG HG2 . . 4.660 2.488 2.089 2.815 . 0 0 "[ . 1 . 2]" 1
682 1 23 PHE QE 1 90 ARG HG3 . . 4.240 2.478 2.178 3.862 . 0 0 "[ . 1 . 2]" 1
683 1 23 PHE HZ 1 32 TYR HB2 . . 5.040 3.578 3.035 3.895 . 0 0 "[ . 1 . 2]" 1
684 1 23 PHE HZ 1 32 TYR HB3 . . 4.710 4.781 4.005 5.118 0.408 1 0 "[ . 1 . 2]" 1
685 1 23 PHE HZ 1 32 TYR QD . . 4.280 3.092 2.874 3.381 . 0 0 "[ . 1 . 2]" 1
686 1 23 PHE HZ 1 32 TYR QE . . 3.890 3.767 3.374 3.977 0.087 6 0 "[ . 1 . 2]" 1
687 1 23 PHE HZ 1 87 MET H . . 5.230 5.163 4.940 5.301 0.071 3 0 "[ . 1 . 2]" 1
688 1 23 PHE HZ 1 87 MET HA . . 4.000 2.569 2.292 2.943 . 0 0 "[ . 1 . 2]" 1
689 1 23 PHE HZ 1 87 MET HB3 . . 4.500 2.529 2.260 2.910 . 0 0 "[ . 1 . 2]" 1
690 1 23 PHE HZ 1 87 MET ME . . 3.920 3.086 2.825 3.412 . 0 0 "[ . 1 . 2]" 1
691 1 23 PHE HZ 1 87 MET QG . . 4.110 3.919 3.697 3.986 . 0 0 "[ . 1 . 2]" 1
692 1 23 PHE HZ 1 90 ARG HB2 . . 5.500 3.481 2.924 3.872 . 0 0 "[ . 1 . 2]" 1
693 1 23 PHE HZ 1 90 ARG HG2 . . 5.140 4.663 3.769 5.117 . 0 0 "[ . 1 . 2]" 1
694 1 23 PHE HZ 1 90 ARG HG3 . . 5.010 4.453 3.837 5.228 0.218 1 0 "[ . 1 . 2]" 1
695 1 23 PHE HZ 1 91 VAL QG . . 5.080 3.531 3.026 4.351 . 0 0 "[ . 1 . 2]" 1
696 1 24 GLY H 1 25 ASN H . . 3.230 2.085 1.836 2.571 . 0 0 "[ . 1 . 2]" 1
697 1 24 GLY H 1 25 ASN HA . . 4.600 4.612 4.490 4.679 0.079 18 0 "[ . 1 . 2]" 1
698 1 24 GLY H 1 29 ASP H . . 5.170 4.462 4.115 4.716 . 0 0 "[ . 1 . 2]" 1
699 1 24 GLY HA3 1 25 ASN HA . . 5.260 4.597 4.185 4.685 . 0 0 "[ . 1 . 2]" 1
700 1 25 ASN H 1 25 ASN HB2 . . 4.110 2.876 2.655 3.103 . 0 0 "[ . 1 . 2]" 1
701 1 25 ASN H 1 25 ASN QB . . 3.750 2.798 2.605 3.001 . 0 0 "[ . 1 . 2]" 1
702 1 25 ASN H 1 25 ASN HB3 . . 4.070 3.848 3.676 3.983 . 0 0 "[ . 1 . 2]" 1
703 1 25 ASN H 1 25 ASN HD21 . . 4.750 4.490 3.988 4.812 0.062 3 0 "[ . 1 . 2]" 1
704 1 25 ASN H 1 25 ASN HD22 . . 5.010 4.684 4.129 4.983 . 0 0 "[ . 1 . 2]" 1
705 1 25 ASN H 1 26 ASP H . . 4.680 4.340 4.242 4.613 . 0 0 "[ . 1 . 2]" 1
706 1 25 ASN H 1 26 ASP HA . . 5.310 4.832 4.457 5.388 0.078 18 0 "[ . 1 . 2]" 1
707 1 25 ASN H 1 28 GLU H . . 5.180 4.168 4.041 4.291 . 0 0 "[ . 1 . 2]" 1
708 1 25 ASN H 1 28 GLU HB2 . . 4.800 2.747 2.554 2.839 . 0 0 "[ . 1 . 2]" 1
709 1 25 ASN H 1 28 GLU HB3 . . 4.990 4.054 3.790 4.207 . 0 0 "[ . 1 . 2]" 1
710 1 25 ASN H 1 28 GLU HG2 . . 5.500 5.508 5.016 5.589 0.089 8 0 "[ . 1 . 2]" 1
711 1 25 ASN H 1 29 ASP H . . 4.900 3.775 3.488 4.390 . 0 0 "[ . 1 . 2]" 1
712 1 25 ASN HA 1 26 ASP H . . 3.000 2.223 2.083 2.311 . 0 0 "[ . 1 . 2]" 1
713 1 25 ASN HA 1 26 ASP HA . . 4.660 4.343 4.250 4.409 . 0 0 "[ . 1 . 2]" 1
714 1 25 ASN HA 1 26 ASP QB . . 4.070 4.061 3.875 4.161 0.091 20 0 "[ . 1 . 2]" 1
715 1 25 ASN HA 1 27 TRP H . . 5.050 4.154 3.927 4.332 . 0 0 "[ . 1 . 2]" 1
716 1 25 ASN HA 1 28 GLU H . . 5.500 4.524 4.402 4.641 . 0 0 "[ . 1 . 2]" 1
717 1 25 ASN QB 1 27 TRP HE1 . . 5.500 2.854 2.551 3.190 . 0 0 "[ . 1 . 2]" 1
718 1 25 ASN HB2 1 26 ASP H . . 3.790 3.733 3.563 3.853 0.063 16 0 "[ . 1 . 2]" 1
719 1 25 ASN HB2 1 27 TRP H . . 4.590 3.476 3.214 3.758 . 0 0 "[ . 1 . 2]" 1
720 1 25 ASN HB2 1 27 TRP HD1 . . 3.890 3.611 3.415 3.807 . 0 0 "[ . 1 . 2]" 1
721 1 25 ASN HB2 1 27 TRP HE1 . . 5.500 3.676 3.251 4.003 . 0 0 "[ . 1 . 2]" 1
722 1 25 ASN HB2 1 28 GLU H . . 5.070 2.168 1.799 2.408 . 0 0 "[ . 1 . 2]" 1
723 1 25 ASN HB2 1 28 GLU HG2 . . 5.250 3.901 3.798 4.077 . 0 0 "[ . 1 . 2]" 1
724 1 25 ASN HB3 1 27 TRP H . . 4.620 3.106 2.671 3.567 . 0 0 "[ . 1 . 2]" 1
725 1 25 ASN HB3 1 27 TRP HD1 . . 5.100 2.572 2.297 2.955 . 0 0 "[ . 1 . 2]" 1
726 1 25 ASN HB3 1 27 TRP HZ2 . . 4.880 4.952 4.765 5.189 0.309 3 0 "[ . 1 . 2]" 1
727 1 25 ASN HB3 1 28 GLU H . . 4.920 3.207 2.975 3.460 . 0 0 "[ . 1 . 2]" 1
728 1 25 ASN HB3 1 28 GLU HB2 . . 4.860 3.895 3.808 4.079 . 0 0 "[ . 1 . 2]" 1
729 1 25 ASN HB3 1 28 GLU HG3 . . 5.260 3.599 3.379 3.872 . 0 0 "[ . 1 . 2]" 1
730 1 25 ASN HD21 1 26 ASP H . . 5.500 5.530 5.222 5.580 0.080 16 0 "[ . 1 . 2]" 1
731 1 25 ASN HD21 1 27 TRP HD1 . . 4.170 4.051 3.490 4.258 0.088 5 0 "[ . 1 . 2]" 1
732 1 25 ASN HD21 1 28 GLU HG2 . . 5.500 3.768 3.341 5.579 0.079 9 0 "[ . 1 . 2]" 1
733 1 25 ASN HD22 1 28 GLU HB2 . . 5.120 4.549 4.003 4.930 . 0 0 "[ . 1 . 2]" 1
734 1 25 ASN HD22 1 28 GLU HG2 . . 5.440 4.665 3.896 5.510 0.070 9 0 "[ . 1 . 2]" 1
735 1 26 ASP H 1 26 ASP QB . . 2.960 2.200 2.120 2.318 . 0 0 "[ . 1 . 2]" 1
736 1 26 ASP H 1 27 TRP H . . 3.730 2.676 2.548 2.870 . 0 0 "[ . 1 . 2]" 1
737 1 26 ASP H 1 27 TRP HA . . 5.500 5.326 5.239 5.464 . 0 0 "[ . 1 . 2]" 1
738 1 26 ASP H 1 27 TRP QB . . 5.260 4.884 4.744 5.094 . 0 0 "[ . 1 . 2]" 1
739 1 26 ASP H 1 28 GLU H . . 5.500 4.204 4.023 4.364 . 0 0 "[ . 1 . 2]" 1
740 1 26 ASP H 1 29 ASP HB3 . . 5.500 5.230 4.819 5.570 0.070 12 0 "[ . 1 . 2]" 1
741 1 26 ASP HA 1 28 GLU H . . 5.500 4.477 4.255 4.752 . 0 0 "[ . 1 . 2]" 1
742 1 26 ASP HA 1 29 ASP H . . 4.150 3.709 3.340 4.105 . 0 0 "[ . 1 . 2]" 1
743 1 26 ASP HA 1 29 ASP HB2 . . 4.520 3.690 2.535 4.400 . 0 0 "[ . 1 . 2]" 1
744 1 26 ASP HA 1 29 ASP HB3 . . 3.590 2.758 2.187 3.274 . 0 0 "[ . 1 . 2]" 1
745 1 26 ASP HA 1 30 ARG H . . 4.550 4.129 3.809 4.492 . 0 0 "[ . 1 . 2]" 1
746 1 26 ASP QB 1 27 TRP H . . 3.460 2.719 2.421 3.118 . 0 0 "[ . 1 . 2]" 1
747 1 26 ASP QB 1 27 TRP HA . . 4.620 4.264 4.040 4.591 . 0 0 "[ . 1 . 2]" 1
748 1 26 ASP QB 1 28 GLU H . . 5.010 4.879 4.716 5.062 0.052 4 0 "[ . 1 . 2]" 1
749 1 26 ASP QB 1 30 ARG H . . 5.500 5.304 5.049 5.573 0.073 6 0 "[ . 1 . 2]" 1
750 1 27 TRP H 1 27 TRP QB . . 3.090 2.532 2.443 2.681 . 0 0 "[ . 1 . 2]" 1
751 1 27 TRP H 1 27 TRP HD1 . . 3.480 2.488 2.342 2.679 . 0 0 "[ . 1 . 2]" 1
752 1 27 TRP H 1 28 GLU H . . 3.530 2.674 2.430 2.776 . 0 0 "[ . 1 . 2]" 1
753 1 27 TRP H 1 28 GLU HA . . 5.500 5.278 5.076 5.385 . 0 0 "[ . 1 . 2]" 1
754 1 27 TRP H 1 29 ASP H . . 4.910 4.431 4.125 4.679 . 0 0 "[ . 1 . 2]" 1
755 1 27 TRP H 1 29 ASP HB3 . . 5.500 5.019 4.637 5.427 . 0 0 "[ . 1 . 2]" 1
756 1 27 TRP HA 1 27 TRP HE3 . . 4.190 4.159 4.042 4.229 0.039 12 0 "[ . 1 . 2]" 1
757 1 27 TRP HA 1 29 ASP H . . 5.290 4.774 4.574 4.902 . 0 0 "[ . 1 . 2]" 1
758 1 27 TRP HA 1 30 ARG H . . 4.360 3.449 3.258 3.782 . 0 0 "[ . 1 . 2]" 1
759 1 27 TRP HA 1 30 ARG QB . . 3.750 2.453 2.289 2.684 . 0 0 "[ . 1 . 2]" 1
760 1 27 TRP HA 1 30 ARG QD . . 4.900 2.901 2.394 3.350 . 0 0 "[ . 1 . 2]" 1
761 1 27 TRP HA 1 30 ARG HE . . 5.430 4.915 3.335 5.522 0.092 16 0 "[ . 1 . 2]" 1
762 1 27 TRP HA 1 30 ARG HG2 . . 5.500 5.168 4.961 5.371 . 0 0 "[ . 1 . 2]" 1
763 1 27 TRP HA 1 30 ARG HG3 . . 5.500 4.753 4.543 5.030 . 0 0 "[ . 1 . 2]" 1
764 1 27 TRP HA 1 31 TYR H . . 5.150 3.714 3.606 3.833 . 0 0 "[ . 1 . 2]" 1
765 1 27 TRP QB 1 27 TRP HD1 . . 2.930 2.659 2.604 2.741 . 0 0 "[ . 1 . 2]" 1
766 1 27 TRP QB 1 27 TRP HE3 . . 3.200 2.720 2.674 2.807 . 0 0 "[ . 1 . 2]" 1
767 1 27 TRP QB 1 28 GLU HG2 . . 5.330 5.376 5.190 5.421 0.091 2 0 "[ . 1 . 2]" 1
768 1 27 TRP QB 1 30 ARG QD . . 3.550 3.562 3.221 3.659 0.109 4 0 "[ . 1 . 2]" 1
769 1 27 TRP QB 1 31 TYR HB2 . . 5.460 4.044 3.789 4.554 . 0 0 "[ . 1 . 2]" 1
770 1 27 TRP HD1 1 28 GLU H . . 4.410 3.678 3.564 3.792 . 0 0 "[ . 1 . 2]" 1
771 1 27 TRP HD1 1 28 GLU HB2 . . 5.360 5.435 5.418 5.444 0.084 19 0 "[ . 1 . 2]" 1
772 1 27 TRP HD1 1 28 GLU HG3 . . 5.070 4.515 4.273 4.767 . 0 0 "[ . 1 . 2]" 1
773 1 27 TRP HE3 1 28 GLU H . . 4.110 3.686 3.629 3.738 . 0 0 "[ . 1 . 2]" 1
774 1 27 TRP HE3 1 28 GLU HA . . 4.150 2.786 2.667 2.998 . 0 0 "[ . 1 . 2]" 1
775 1 27 TRP HE3 1 28 GLU HB2 . . 5.110 5.096 4.995 5.182 0.072 5 0 "[ . 1 . 2]" 1
776 1 27 TRP HE3 1 28 GLU HG2 . . 3.520 3.586 3.507 3.601 0.081 14 0 "[ . 1 . 2]" 1
777 1 27 TRP HE3 1 28 GLU HG3 . . 4.530 3.891 3.632 4.085 . 0 0 "[ . 1 . 2]" 1
778 1 27 TRP HE3 1 30 ARG QD . . 5.500 4.605 4.270 5.067 . 0 0 "[ . 1 . 2]" 1
779 1 27 TRP HE3 1 31 TYR H . . 5.500 4.004 3.779 4.340 . 0 0 "[ . 1 . 2]" 1
780 1 27 TRP HE3 1 31 TYR HB2 . . 4.760 2.856 2.593 3.527 . 0 0 "[ . 1 . 2]" 1
781 1 27 TRP HE3 1 31 TYR HB3 . . 5.000 2.965 2.723 3.355 . 0 0 "[ . 1 . 2]" 1
782 1 27 TRP HE3 1 31 TYR QD . . 3.730 3.763 3.453 3.826 0.096 10 0 "[ . 1 . 2]" 1
783 1 27 TRP HE3 1 83 THR MG . . 4.530 4.227 3.825 4.614 0.084 9 0 "[ . 1 . 2]" 1
784 1 27 TRP HH2 1 28 GLU HG2 . . 5.290 3.129 2.985 3.244 . 0 0 "[ . 1 . 2]" 1
785 1 27 TRP HH2 1 28 GLU HG3 . . 5.290 3.729 3.576 3.897 . 0 0 "[ . 1 . 2]" 1
786 1 27 TRP HH2 1 83 THR MG . . 3.310 2.236 2.101 2.822 . 0 0 "[ . 1 . 2]" 1
787 1 27 TRP HH2 1 87 MET ME . . 4.580 3.978 3.817 4.306 . 0 0 "[ . 1 . 2]" 1
788 1 27 TRP HZ2 1 28 GLU HA . . 5.500 5.524 5.402 5.580 0.080 4 0 "[ . 1 . 2]" 1
789 1 27 TRP HZ2 1 28 GLU HG2 . . 5.430 3.825 3.609 4.018 . 0 0 "[ . 1 . 2]" 1
790 1 27 TRP HZ2 1 28 GLU HG3 . . 5.210 3.194 3.087 3.276 . 0 0 "[ . 1 . 2]" 1
791 1 27 TRP HZ2 1 87 MET ME . . 5.170 5.261 5.234 5.276 0.106 14 0 "[ . 1 . 2]" 1
792 1 27 TRP HZ3 1 28 GLU H . . 5.030 5.110 5.100 5.115 0.085 16 0 "[ . 1 . 2]" 1
793 1 27 TRP HZ3 1 28 GLU HA . . 4.020 3.339 3.165 3.528 . 0 0 "[ . 1 . 2]" 1
794 1 27 TRP HZ3 1 28 GLU HB3 . . 5.360 5.161 4.992 5.254 . 0 0 "[ . 1 . 2]" 1
795 1 27 TRP HZ3 1 28 GLU HG2 . . 4.390 2.925 2.803 3.047 . 0 0 "[ . 1 . 2]" 1
796 1 27 TRP HZ3 1 28 GLU HG3 . . 4.150 3.988 3.776 4.224 0.074 9 0 "[ . 1 . 2]" 1
797 1 27 TRP HZ3 1 31 TYR HB3 . . 4.950 3.642 3.331 4.133 . 0 0 "[ . 1 . 2]" 1
798 1 27 TRP HZ3 1 83 THR MG . . 3.600 2.345 2.110 2.670 . 0 0 "[ . 1 . 2]" 1
799 1 27 TRP HZ3 1 87 MET ME . . 4.310 3.284 2.944 3.888 . 0 0 "[ . 1 . 2]" 1
800 1 28 GLU H 1 28 GLU HB2 . . 3.750 2.297 2.201 2.391 . 0 0 "[ . 1 . 2]" 1
801 1 28 GLU H 1 28 GLU HG2 . . 4.340 3.537 3.334 3.654 . 0 0 "[ . 1 . 2]" 1
802 1 28 GLU H 1 28 GLU HG3 . . 4.670 2.592 2.317 2.862 . 0 0 "[ . 1 . 2]" 1
803 1 28 GLU H 1 29 ASP H . . 3.650 2.852 2.713 3.024 . 0 0 "[ . 1 . 2]" 1
804 1 28 GLU H 1 29 ASP HB3 . . 5.500 4.614 4.289 4.876 . 0 0 "[ . 1 . 2]" 1
805 1 28 GLU HA 1 28 GLU HG3 . . 4.060 2.981 2.855 3.130 . 0 0 "[ . 1 . 2]" 1
806 1 28 GLU HA 1 30 ARG H . . 5.500 4.712 4.465 4.833 . 0 0 "[ . 1 . 2]" 1
807 1 28 GLU HA 1 31 TYR H . . 4.460 3.469 3.355 3.605 . 0 0 "[ . 1 . 2]" 1
808 1 28 GLU HA 1 31 TYR HA . . 5.500 5.460 5.250 5.570 0.070 8 0 "[ . 1 . 2]" 1
809 1 28 GLU HA 1 31 TYR HB2 . . 4.450 3.883 3.576 4.178 . 0 0 "[ . 1 . 2]" 1
810 1 28 GLU HA 1 31 TYR HB3 . . 4.180 2.612 2.342 2.761 . 0 0 "[ . 1 . 2]" 1
811 1 28 GLU HA 1 31 TYR QD . . 4.660 3.437 2.678 3.809 . 0 0 "[ . 1 . 2]" 1
812 1 28 GLU HA 1 32 TYR H . . 4.900 3.630 3.428 3.751 . 0 0 "[ . 1 . 2]" 1
813 1 28 GLU HA 1 87 MET ME . . 3.440 2.474 2.292 2.853 . 0 0 "[ . 1 . 2]" 1
814 1 28 GLU HB2 1 29 ASP H . . 4.020 2.564 2.399 2.738 . 0 0 "[ . 1 . 2]" 1
815 1 28 GLU HB2 1 29 ASP HB2 . . 5.290 4.578 4.141 5.163 . 0 0 "[ . 1 . 2]" 1
816 1 28 GLU HB2 1 87 MET ME . . 3.540 3.568 3.476 3.622 0.082 6 0 "[ . 1 . 2]" 1
817 1 28 GLU HB3 1 29 ASP H . . 4.530 3.222 3.111 3.486 . 0 0 "[ . 1 . 2]" 1
818 1 28 GLU HB3 1 87 MET ME . . 3.250 2.152 2.027 2.228 . 0 0 "[ . 1 . 2]" 1
819 1 28 GLU HG2 1 29 ASP H . . 5.450 4.899 4.783 5.025 . 0 0 "[ . 1 . 2]" 1
820 1 28 GLU HG2 1 83 THR MG . . 5.500 3.894 3.611 4.074 . 0 0 "[ . 1 . 2]" 1
821 1 28 GLU HG2 1 87 MET ME . . 4.030 2.284 2.115 2.612 . 0 0 "[ . 1 . 2]" 1
822 1 28 GLU HG3 1 83 THR MG . . 4.920 4.955 4.790 5.021 0.101 16 0 "[ . 1 . 2]" 1
823 1 29 ASP H 1 29 ASP HB2 . . 3.650 2.440 2.188 2.770 . 0 0 "[ . 1 . 2]" 1
824 1 29 ASP H 1 29 ASP HB3 . . 3.570 2.380 2.173 2.756 . 0 0 "[ . 1 . 2]" 1
825 1 29 ASP H 1 30 ARG H . . 3.620 3.072 2.962 3.266 . 0 0 "[ . 1 . 2]" 1
826 1 29 ASP H 1 87 MET ME . . 5.290 4.444 4.184 4.876 . 0 0 "[ . 1 . 2]" 1
827 1 29 ASP HA 1 30 ARG HA . . 4.820 4.806 4.717 4.873 0.053 15 0 "[ . 1 . 2]" 1
828 1 29 ASP HA 1 31 TYR H . . 5.500 4.787 4.596 4.993 . 0 0 "[ . 1 . 2]" 1
829 1 29 ASP HA 1 32 TYR H . . 4.520 4.125 3.923 4.500 . 0 0 "[ . 1 . 2]" 1
830 1 29 ASP HA 1 32 TYR HB2 . . 4.680 4.184 3.888 4.745 0.065 4 0 "[ . 1 . 2]" 1
831 1 29 ASP HA 1 32 TYR HB3 . . 4.360 3.073 2.840 3.958 . 0 0 "[ . 1 . 2]" 1
832 1 29 ASP HA 1 32 TYR QD . . 5.010 3.894 3.561 4.759 . 0 0 "[ . 1 . 2]" 1
833 1 29 ASP HA 1 33 ARG H . . 5.010 4.132 3.946 4.674 . 0 0 "[ . 1 . 2]" 1
834 1 29 ASP HA 1 87 MET ME . . 5.170 4.649 4.486 5.026 . 0 0 "[ . 1 . 2]" 1
835 1 29 ASP HB2 1 30 ARG H . . 3.990 3.837 3.683 4.035 0.045 6 0 "[ . 1 . 2]" 1
836 1 29 ASP HB3 1 30 ARG H . . 3.950 2.417 2.266 2.704 . 0 0 "[ . 1 . 2]" 1
837 1 30 ARG H 1 30 ARG QB . . 3.080 2.095 2.007 2.167 . 0 0 "[ . 1 . 2]" 1
838 1 30 ARG H 1 30 ARG QD . . 4.820 3.967 3.611 4.362 . 0 0 "[ . 1 . 2]" 1
839 1 30 ARG H 1 30 ARG HG2 . . 4.260 4.343 4.339 4.347 0.087 11 0 "[ . 1 . 2]" 1
840 1 30 ARG H 1 30 ARG HG3 . . 4.610 4.549 4.456 4.620 0.010 8 0 "[ . 1 . 2]" 1
841 1 30 ARG H 1 31 TYR H . . 3.660 2.842 2.714 2.984 . 0 0 "[ . 1 . 2]" 1
842 1 30 ARG H 1 32 TYR H . . 5.280 4.451 4.280 4.681 . 0 0 "[ . 1 . 2]" 1
843 1 30 ARG HA 1 30 ARG QD . . 4.340 3.964 3.784 4.204 . 0 0 "[ . 1 . 2]" 1
844 1 30 ARG HA 1 30 ARG HG2 . . 3.600 2.683 2.498 2.914 . 0 0 "[ . 1 . 2]" 1
845 1 30 ARG HA 1 30 ARG HG3 . . 3.960 3.433 2.983 3.689 . 0 0 "[ . 1 . 2]" 1
846 1 30 ARG HA 1 32 TYR H . . 5.500 4.696 4.548 4.876 . 0 0 "[ . 1 . 2]" 1
847 1 30 ARG HA 1 33 ARG H . . 4.200 3.533 3.345 3.873 . 0 0 "[ . 1 . 2]" 1
848 1 30 ARG HA 1 33 ARG HB2 . . 3.720 2.380 2.196 2.825 . 0 0 "[ . 1 . 2]" 1
849 1 30 ARG HA 1 33 ARG HB3 . . 4.140 3.666 3.303 3.953 . 0 0 "[ . 1 . 2]" 1
850 1 30 ARG HA 1 33 ARG HD2 . . 4.790 4.277 2.163 4.866 0.076 4 0 "[ . 1 . 2]" 1
851 1 30 ARG HA 1 33 ARG HD3 . . 4.790 2.973 2.431 3.830 . 0 0 "[ . 1 . 2]" 1
852 1 30 ARG HA 1 34 GLU H . . 5.050 4.050 3.899 4.485 . 0 0 "[ . 1 . 2]" 1
853 1 30 ARG HA 1 34 GLU HG3 . . 5.330 4.319 3.918 4.754 . 0 0 "[ . 1 . 2]" 1
854 1 30 ARG QB 1 30 ARG QD . . 3.160 2.098 2.034 2.156 . 0 0 "[ . 1 . 2]" 1
855 1 30 ARG QB 1 30 ARG HE . . 4.990 3.645 2.938 4.061 . 0 0 "[ . 1 . 2]" 1
856 1 30 ARG QB 1 31 TYR H . . 3.560 2.649 2.293 3.042 . 0 0 "[ . 1 . 2]" 1
857 1 30 ARG QB 1 32 TYR H . . 5.230 4.900 4.649 5.294 0.064 20 0 "[ . 1 . 2]" 1
858 1 30 ARG QD 1 31 TYR H . . 5.090 2.851 2.411 3.541 . 0 0 "[ . 1 . 2]" 1
859 1 30 ARG QD 1 31 TYR HA . . 4.580 2.787 2.306 3.541 . 0 0 "[ . 1 . 2]" 1
860 1 30 ARG QD 1 34 GLU HG2 . . 5.500 4.800 3.682 5.570 0.070 8 0 "[ . 1 . 2]" 1
861 1 30 ARG HG2 1 31 TYR H . . 5.150 3.805 3.451 4.025 . 0 0 "[ . 1 . 2]" 1
862 1 30 ARG HG2 1 33 ARG HB3 . . 4.700 4.756 4.626 4.788 0.088 13 0 "[ . 1 . 2]" 1
863 1 30 ARG HG2 1 34 GLU H . . 5.500 3.902 3.830 4.213 . 0 0 "[ . 1 . 2]" 1
864 1 30 ARG HG2 1 34 GLU HG2 . . 4.760 3.729 3.176 4.116 . 0 0 "[ . 1 . 2]" 1
865 1 30 ARG HG3 1 31 TYR H . . 4.810 4.709 4.593 4.821 0.011 1 0 "[ . 1 . 2]" 1
866 1 30 ARG HG3 1 31 TYR HA . . 5.010 5.061 4.909 5.090 0.080 14 0 "[ . 1 . 2]" 1
867 1 30 ARG HG3 1 34 GLU H . . 5.500 5.571 5.541 5.586 0.086 6 0 "[ . 1 . 2]" 1
868 1 30 ARG HG3 1 34 GLU HG2 . . 4.960 4.958 4.569 5.034 0.074 8 0 "[ . 1 . 2]" 1
869 1 30 ARG HG3 1 34 GLU HG3 . . 5.500 3.995 3.554 4.279 . 0 0 "[ . 1 . 2]" 1
870 1 31 TYR H 1 31 TYR HB2 . . 3.670 2.636 2.542 2.854 . 0 0 "[ . 1 . 2]" 1
871 1 31 TYR H 1 31 TYR HB3 . . 3.710 2.351 2.172 2.489 . 0 0 "[ . 1 . 2]" 1
872 1 31 TYR H 1 31 TYR QD . . 4.350 4.170 4.070 4.223 . 0 0 "[ . 1 . 2]" 1
873 1 31 TYR H 1 32 TYR H . . 3.790 2.679 2.596 2.796 . 0 0 "[ . 1 . 2]" 1
874 1 31 TYR H 1 32 TYR HA . . 5.500 5.295 5.219 5.424 . 0 0 "[ . 1 . 2]" 1
875 1 31 TYR H 1 33 ARG H . . 5.270 4.137 3.997 4.484 . 0 0 "[ . 1 . 2]" 1
876 1 31 TYR HA 1 31 TYR QD . . 3.540 2.386 2.233 2.503 . 0 0 "[ . 1 . 2]" 1
877 1 31 TYR HA 1 32 TYR HA . . 4.860 4.867 4.808 4.928 0.068 20 0 "[ . 1 . 2]" 1
878 1 31 TYR HA 1 33 ARG HB2 . . 5.500 5.157 4.937 5.494 . 0 0 "[ . 1 . 2]" 1
879 1 31 TYR HA 1 34 GLU H . . 4.330 3.420 3.153 3.612 . 0 0 "[ . 1 . 2]" 1
880 1 31 TYR HA 1 34 GLU QB . . 3.840 2.889 2.519 3.293 . 0 0 "[ . 1 . 2]" 1
881 1 31 TYR HA 1 34 GLU HG2 . . 5.460 4.823 4.007 5.235 . 0 0 "[ . 1 . 2]" 1
882 1 31 TYR HA 1 34 GLU HG3 . . 5.500 3.261 2.279 3.807 . 0 0 "[ . 1 . 2]" 1
883 1 31 TYR HA 1 35 ASN H . . 5.130 4.837 4.513 5.025 . 0 0 "[ . 1 . 2]" 1
884 1 31 TYR HA 1 35 ASN HD21 . . 4.540 3.947 3.358 4.615 0.075 12 0 "[ . 1 . 2]" 1
885 1 31 TYR HA 1 35 ASN HD22 . . 4.160 3.930 3.422 4.429 0.269 18 0 "[ . 1 . 2]" 1
886 1 31 TYR HB2 1 32 TYR H . . 4.940 3.905 3.749 4.042 . 0 0 "[ . 1 . 2]" 1
887 1 31 TYR HB2 1 87 MET ME . . 5.500 4.843 4.330 5.269 . 0 0 "[ . 1 . 2]" 1
888 1 31 TYR HB3 1 32 TYR H . . 4.240 2.541 2.326 2.740 . 0 0 "[ . 1 . 2]" 1
889 1 31 TYR HB3 1 32 TYR HA . . 5.310 4.494 4.361 4.653 . 0 0 "[ . 1 . 2]" 1
890 1 31 TYR HB3 1 83 THR MG . . 5.500 4.666 4.138 5.137 . 0 0 "[ . 1 . 2]" 1
891 1 31 TYR HB3 1 87 MET ME . . 3.780 3.437 2.858 3.829 0.049 13 0 "[ . 1 . 2]" 1
892 1 31 TYR QD 1 32 TYR H . . 3.970 3.644 3.302 3.794 . 0 0 "[ . 1 . 2]" 1
893 1 31 TYR QD 1 32 TYR HA . . 4.150 4.209 4.065 4.251 0.101 11 0 "[ . 1 . 2]" 1
894 1 31 TYR QD 1 34 GLU QB . . 5.400 3.518 2.993 4.033 . 0 0 "[ . 1 . 2]" 1
895 1 31 TYR QD 1 35 ASN HD21 . . 4.640 3.155 2.286 3.835 . 0 0 "[ . 1 . 2]" 1
896 1 31 TYR QD 1 35 ASN HD22 . . 4.860 2.715 2.392 3.132 . 0 0 "[ . 1 . 2]" 1
897 1 31 TYR QD 1 83 THR MG . . 3.600 3.039 2.574 3.505 . 0 0 "[ . 1 . 2]" 1
898 1 31 TYR QD 1 87 MET ME . . 3.140 2.647 2.222 2.942 . 0 0 "[ . 1 . 2]" 1
899 1 31 TYR QE 1 35 ASN HB2 . . 5.440 4.755 2.990 5.433 . 0 0 "[ . 1 . 2]" 1
900 1 31 TYR QE 1 35 ASN HD21 . . 3.340 3.104 2.487 3.415 0.075 17 0 "[ . 1 . 2]" 1
901 1 31 TYR QE 1 35 ASN HD22 . . 2.400 2.506 2.246 3.028 0.628 13 1 "[ . 1 + . 2]" 1
902 1 31 TYR QE 1 83 THR HB . . 4.250 3.786 2.642 4.323 0.073 13 0 "[ . 1 . 2]" 1
903 1 31 TYR QE 1 83 THR MG . . 3.460 2.415 2.142 3.081 . 0 0 "[ . 1 . 2]" 1
904 1 31 TYR QE 1 84 ASP HA . . 4.740 3.194 2.557 3.612 . 0 0 "[ . 1 . 2]" 1
905 1 31 TYR QE 1 87 MET ME . . 4.010 3.885 2.832 4.128 0.118 17 0 "[ . 1 . 2]" 1
906 1 31 TYR QE 1 87 MET QG . . 4.160 2.818 2.000 3.502 . 0 0 "[ . 1 . 2]" 1
907 1 32 TYR H 1 32 TYR HB2 . . 3.850 2.468 2.344 2.587 . 0 0 "[ . 1 . 2]" 1
908 1 32 TYR H 1 32 TYR HB3 . . 3.800 2.375 2.269 2.444 . 0 0 "[ . 1 . 2]" 1
909 1 32 TYR H 1 32 TYR QD . . 4.130 4.132 4.083 4.170 0.040 5 0 "[ . 1 . 2]" 1
910 1 32 TYR H 1 33 ARG H . . 3.990 2.822 2.709 2.948 . 0 0 "[ . 1 . 2]" 1
911 1 32 TYR H 1 34 GLU H . . 5.500 4.365 4.207 4.656 . 0 0 "[ . 1 . 2]" 1
912 1 32 TYR H 1 87 MET ME . . 3.810 3.444 3.136 3.814 0.004 13 0 "[ . 1 . 2]" 1
913 1 32 TYR HA 1 32 TYR QD . . 3.320 2.624 2.392 2.823 . 0 0 "[ . 1 . 2]" 1
914 1 32 TYR HA 1 32 TYR QE . . 4.900 4.589 4.329 4.737 . 0 0 "[ . 1 . 2]" 1
915 1 32 TYR HA 1 33 ARG HA . . 5.480 4.902 4.785 5.018 . 0 0 "[ . 1 . 2]" 1
916 1 32 TYR HA 1 35 ASN H . . 4.100 3.657 3.432 3.814 . 0 0 "[ . 1 . 2]" 1
917 1 32 TYR HA 1 35 ASN HB2 . . 4.940 4.057 3.228 5.032 0.092 20 0 "[ . 1 . 2]" 1
918 1 32 TYR HA 1 35 ASN HD22 . . 5.500 5.125 3.999 6.209 0.709 4 2 "[ +. 1 . - 2]" 1
919 1 32 TYR HA 1 36 MET HA . . 5.390 4.428 3.835 4.946 . 0 0 "[ . 1 . 2]" 1
920 1 32 TYR HA 1 39 TYR QE . . 3.750 2.337 2.098 2.543 . 0 0 "[ . 1 . 2]" 1
921 1 32 TYR HA 1 87 MET HB2 . . 5.260 5.230 4.833 5.342 0.082 20 0 "[ . 1 . 2]" 1
922 1 32 TYR HA 1 87 MET HB3 . . 5.470 4.391 4.118 4.668 . 0 0 "[ . 1 . 2]" 1
923 1 32 TYR HA 1 87 MET ME . . 5.330 4.174 3.831 4.507 . 0 0 "[ . 1 . 2]" 1
924 1 32 TYR HB2 1 33 ARG H . . 4.480 3.816 3.690 3.933 . 0 0 "[ . 1 . 2]" 1
925 1 32 TYR HB2 1 87 MET ME . . 3.890 2.690 2.284 2.940 . 0 0 "[ . 1 . 2]" 1
926 1 32 TYR HB3 1 33 ARG H . . 4.010 2.423 2.229 2.605 . 0 0 "[ . 1 . 2]" 1
927 1 32 TYR HB3 1 87 MET ME . . 4.380 3.876 3.505 4.027 . 0 0 "[ . 1 . 2]" 1
928 1 32 TYR QD 1 33 ARG H . . 3.920 3.296 3.049 3.597 . 0 0 "[ . 1 . 2]" 1
929 1 32 TYR QD 1 33 ARG HA . . 4.700 3.747 3.436 4.012 . 0 0 "[ . 1 . 2]" 1
930 1 32 TYR QD 1 33 ARG HG2 . . 5.500 4.589 3.962 5.444 . 0 0 "[ . 1 . 2]" 1
931 1 32 TYR QD 1 33 ARG HG3 . . 4.030 3.237 2.854 3.907 . 0 0 "[ . 1 . 2]" 1
932 1 32 TYR QD 1 36 MET ME . . 4.370 3.930 3.459 4.457 0.087 13 0 "[ . 1 . 2]" 1
933 1 32 TYR QD 1 39 TYR QE . . 3.240 2.675 2.263 3.084 . 0 0 "[ . 1 . 2]" 1
934 1 32 TYR QD 1 87 MET HB2 . . 4.080 3.700 3.341 4.050 . 0 0 "[ . 1 . 2]" 1
935 1 32 TYR QD 1 87 MET HB3 . . 4.070 2.445 2.237 2.586 . 0 0 "[ . 1 . 2]" 1
936 1 32 TYR QD 1 87 MET ME . . 4.470 3.867 3.537 4.102 . 0 0 "[ . 1 . 2]" 1
937 1 32 TYR QD 1 87 MET QG . . 5.500 3.803 3.198 4.189 . 0 0 "[ . 1 . 2]" 1
938 1 32 TYR QD 1 91 VAL QG . . 4.510 3.672 3.229 4.040 . 0 0 "[ . 1 . 2]" 1
939 1 32 TYR QE 1 36 MET HA . . 4.700 3.770 3.475 4.166 . 0 0 "[ . 1 . 2]" 1
940 1 32 TYR QE 1 36 MET HB2 . . 5.130 3.906 3.592 4.368 . 0 0 "[ . 1 . 2]" 1
941 1 32 TYR QE 1 36 MET ME . . 3.550 3.208 2.705 3.657 0.107 3 0 "[ . 1 . 2]" 1
942 1 32 TYR QE 1 91 VAL H . . 4.760 4.784 4.314 4.862 0.102 8 0 "[ . 1 . 2]" 1
943 1 32 TYR QE 1 91 VAL HB . . 4.680 4.134 3.158 4.538 . 0 0 "[ . 1 . 2]" 1
944 1 32 TYR QE 1 91 VAL QG . . 3.260 2.030 1.892 2.235 . 0 0 "[ . 1 . 2]" 1
945 1 33 ARG H 1 33 ARG HB2 . . 3.830 2.164 2.000 2.301 . 0 0 "[ . 1 . 2]" 1
946 1 33 ARG H 1 33 ARG HB3 . . 3.610 3.461 3.237 3.569 . 0 0 "[ . 1 . 2]" 1
947 1 33 ARG H 1 33 ARG HD2 . . 4.990 4.640 3.826 5.068 0.078 4 0 "[ . 1 . 2]" 1
948 1 33 ARG H 1 33 ARG HD3 . . 4.800 4.030 3.460 4.871 0.071 8 0 "[ . 1 . 2]" 1
949 1 33 ARG H 1 33 ARG HG2 . . 4.460 4.026 3.821 4.395 . 0 0 "[ . 1 . 2]" 1
950 1 33 ARG H 1 33 ARG HG3 . . 3.390 2.863 2.515 3.459 0.069 15 0 "[ . 1 . 2]" 1
951 1 33 ARG HA 1 33 ARG HD2 . . 4.900 4.568 4.247 4.739 . 0 0 "[ . 1 . 2]" 1
952 1 33 ARG HA 1 33 ARG HD3 . . 5.010 4.435 4.240 4.541 . 0 0 "[ . 1 . 2]" 1
953 1 33 ARG HA 1 33 ARG HG2 . . 3.970 2.481 2.241 2.664 . 0 0 "[ . 1 . 2]" 1
954 1 33 ARG HA 1 33 ARG HG3 . . 4.210 2.539 2.227 2.767 . 0 0 "[ . 1 . 2]" 1
955 1 33 ARG HA 1 34 GLU HA . . 5.110 4.748 4.708 4.830 . 0 0 "[ . 1 . 2]" 1
956 1 33 ARG HA 1 34 GLU QB . . 5.450 5.493 5.404 5.539 0.089 10 0 "[ . 1 . 2]" 1
957 1 33 ARG HA 1 36 MET H . . 4.960 3.408 3.200 3.669 . 0 0 "[ . 1 . 2]" 1
958 1 33 ARG HA 1 36 MET ME . . 3.590 2.896 2.063 3.496 . 0 0 "[ . 1 . 2]" 1
959 1 33 ARG HA 1 36 MET HG2 . . 4.870 3.387 2.667 4.519 . 0 0 "[ . 1 . 2]" 1
960 1 33 ARG HA 1 36 MET HG3 . . 5.500 4.597 4.342 5.114 . 0 0 "[ . 1 . 2]" 1
961 1 33 ARG HB2 1 33 ARG HE . . 5.050 3.910 3.004 4.756 . 0 0 "[ . 1 . 2]" 1
962 1 33 ARG HB2 1 34 GLU HG3 . . 4.730 4.374 3.682 4.805 0.075 17 0 "[ . 1 . 2]" 1
963 1 33 ARG HB3 1 33 ARG HE . . 5.050 3.307 2.269 4.889 . 0 0 "[ . 1 . 2]" 1
964 1 33 ARG HB3 1 34 GLU HG2 . . 4.140 4.072 3.727 4.223 0.083 14 0 "[ . 1 . 2]" 1
965 1 33 ARG HG2 1 36 MET ME . . 2.970 3.000 2.522 3.074 0.104 7 0 "[ . 1 . 2]" 1
966 1 34 GLU H 1 34 GLU QB . . 3.170 2.436 2.293 2.641 . 0 0 "[ . 1 . 2]" 1
967 1 34 GLU H 1 34 GLU HG2 . . 3.680 3.007 2.555 3.378 . 0 0 "[ . 1 . 2]" 1
968 1 34 GLU H 1 34 GLU HG3 . . 3.980 2.579 2.277 3.128 . 0 0 "[ . 1 . 2]" 1
969 1 34 GLU H 1 35 ASN H . . 3.100 2.875 2.759 2.945 . 0 0 "[ . 1 . 2]" 1
970 1 34 GLU H 1 35 ASN HA . . 5.500 5.504 5.400 5.569 0.069 12 0 "[ . 1 . 2]" 1
971 1 34 GLU H 1 35 ASN HD21 . . 5.370 4.447 3.845 5.244 . 0 0 "[ . 1 . 2]" 1
972 1 34 GLU H 1 35 ASN HD22 . . 5.500 4.968 4.455 5.414 . 0 0 "[ . 1 . 2]" 1
973 1 34 GLU HA 1 34 GLU HG2 . . 3.500 2.350 2.193 2.535 . 0 0 "[ . 1 . 2]" 1
974 1 34 GLU HA 1 34 GLU HG3 . . 3.530 3.401 3.023 3.610 0.080 11 0 "[ . 1 . 2]" 1
975 1 34 GLU HA 1 35 ASN HA . . 5.460 4.592 4.406 4.700 . 0 0 "[ . 1 . 2]" 1
976 1 34 GLU HA 1 35 ASN HD21 . . 5.500 5.118 4.214 5.505 0.005 11 0 "[ . 1 . 2]" 1
977 1 34 GLU HA 1 36 MET H . . 4.810 4.387 4.078 4.772 . 0 0 "[ . 1 . 2]" 1
978 1 34 GLU QB 1 35 ASN H . . 3.870 3.190 2.717 3.445 . 0 0 "[ . 1 . 2]" 1
979 1 34 GLU QB 1 35 ASN HA . . 4.750 4.329 4.024 4.539 . 0 0 "[ . 1 . 2]" 1
980 1 34 GLU QB 1 35 ASN HD21 . . 4.510 2.886 2.423 3.231 . 0 0 "[ . 1 . 2]" 1
981 1 34 GLU QB 1 35 ASN HD22 . . 4.440 3.067 2.565 3.882 . 0 0 "[ . 1 . 2]" 1
982 1 34 GLU HG2 1 35 ASN H . . 5.500 5.036 4.866 5.194 . 0 0 "[ . 1 . 2]" 1
983 1 34 GLU HG3 1 35 ASN H . . 5.340 4.925 4.539 5.302 . 0 0 "[ . 1 . 2]" 1
984 1 34 GLU HG3 1 35 ASN HD21 . . 5.500 5.165 4.678 5.593 0.093 4 0 "[ . 1 . 2]" 1
985 1 35 ASN H 1 35 ASN HB2 . . 3.800 3.074 2.495 3.828 0.028 11 0 "[ . 1 . 2]" 1
986 1 35 ASN H 1 35 ASN HB3 . . 3.930 3.711 3.424 3.885 . 0 0 "[ . 1 . 2]" 1
987 1 35 ASN H 1 35 ASN HD21 . . 4.500 3.263 2.958 4.111 . 0 0 "[ . 1 . 2]" 1
988 1 35 ASN H 1 35 ASN HD22 . . 4.170 4.082 3.521 4.533 0.363 18 0 "[ . 1 . 2]" 1
989 1 35 ASN H 1 36 MET H . . 3.360 2.246 2.041 2.593 . 0 0 "[ . 1 . 2]" 1
990 1 35 ASN H 1 36 MET HA . . 4.410 4.217 3.998 4.475 0.065 3 0 "[ . 1 . 2]" 1
991 1 35 ASN HA 1 35 ASN HD22 . . 5.340 4.696 4.177 5.236 . 0 0 "[ . 1 . 2]" 1
992 1 35 ASN HA 1 37 TYR H . . 5.420 3.795 3.348 4.604 . 0 0 "[ . 1 . 2]" 1
993 1 35 ASN HA 1 37 TYR QD . . 3.710 3.754 3.550 3.802 0.092 12 0 "[ . 1 . 2]" 1
994 1 35 ASN HA 1 37 TYR QE . . 3.290 2.871 2.427 3.222 . 0 0 "[ . 1 . 2]" 1
995 1 35 ASN HA 1 38 ARG H . . 5.190 3.557 3.024 4.110 . 0 0 "[ . 1 . 2]" 1
996 1 35 ASN HA 1 38 ARG HD2 . . 5.500 5.128 3.238 5.582 0.082 8 0 "[ . 1 . 2]" 1
997 1 35 ASN HA 1 38 ARG HD3 . . 5.460 5.126 4.625 5.537 0.077 12 0 "[ . 1 . 2]" 1
998 1 35 ASN HA 1 38 ARG HG2 . . 5.320 2.856 2.298 4.335 . 0 0 "[ . 1 . 2]" 1
999 1 35 ASN HA 1 38 ARG HG3 . . 5.500 3.113 2.254 3.461 . 0 0 "[ . 1 . 2]" 1
1000 1 36 MET H 1 36 MET HB3 . . 3.860 2.485 1.926 2.678 . 0 0 "[ . 1 . 2]" 1
1001 1 36 MET H 1 36 MET ME . . 4.680 4.296 3.805 4.564 . 0 0 "[ . 1 . 2]" 1
1002 1 36 MET H 1 36 MET HG2 . . 3.960 2.227 1.955 3.894 . 0 0 "[ . 1 . 2]" 1
1003 1 36 MET H 1 36 MET HG3 . . 4.520 3.364 2.639 4.057 . 0 0 "[ . 1 . 2]" 1
1004 1 36 MET H 1 37 TYR H . . 4.130 2.994 2.784 3.259 . 0 0 "[ . 1 . 2]" 1
1005 1 36 MET H 1 37 TYR QD . . 4.590 4.419 4.193 4.658 0.068 19 0 "[ . 1 . 2]" 1
1006 1 36 MET H 1 39 TYR QD . . 5.090 4.292 3.862 4.844 . 0 0 "[ . 1 . 2]" 1
1007 1 36 MET H 1 39 TYR QE . . 4.970 4.418 3.990 4.997 0.027 20 0 "[ . 1 . 2]" 1
1008 1 36 MET HA 1 36 MET ME . . 4.820 4.234 4.038 4.733 . 0 0 "[ . 1 . 2]" 1
1009 1 36 MET HA 1 38 ARG H . . 5.040 3.925 3.694 4.272 . 0 0 "[ . 1 . 2]" 1
1010 1 36 MET HA 1 39 TYR H . . 4.680 3.801 3.553 4.231 . 0 0 "[ . 1 . 2]" 1
1011 1 36 MET HA 1 39 TYR QD . . 3.190 2.129 2.031 2.462 . 0 0 "[ . 1 . 2]" 1
1012 1 36 MET HA 1 39 TYR QE . . 3.880 3.460 2.504 3.964 0.084 15 0 "[ . 1 . 2]" 1
1013 1 36 MET HB2 1 36 MET ME . . 3.000 2.360 2.170 2.942 . 0 0 "[ . 1 . 2]" 1
1014 1 36 MET HB2 1 39 TYR QD . . 5.500 4.330 3.859 4.606 . 0 0 "[ . 1 . 2]" 1
1015 1 36 MET HB3 1 37 TYR H . . 4.750 4.063 2.842 4.273 . 0 0 "[ . 1 . 2]" 1
1016 1 36 MET ME 1 37 TYR H . . 5.100 4.974 4.559 5.213 0.113 17 0 "[ . 1 . 2]" 1
1017 1 36 MET HG2 1 37 TYR H . . 4.560 2.880 2.485 3.667 . 0 0 "[ . 1 . 2]" 1
1018 1 36 MET HG2 1 37 TYR QD . . 4.580 3.254 2.695 3.972 . 0 0 "[ . 1 . 2]" 1
1019 1 36 MET HG3 1 37 TYR H . . 4.460 2.625 1.889 3.171 . 0 0 "[ . 1 . 2]" 1
1020 1 36 MET HG3 1 37 TYR QD . . 4.430 2.549 2.242 4.633 0.203 20 0 "[ . 1 . 2]" 1
1021 1 36 MET HG3 1 37 TYR QE . . 4.780 3.405 2.760 5.596 0.816 20 1 "[ . 1 . +]" 1
1022 1 37 TYR H 1 37 TYR QD . . 2.820 2.631 2.495 2.789 . 0 0 "[ . 1 . 2]" 1
1023 1 37 TYR H 1 37 TYR QE . . 4.570 3.562 3.392 3.753 . 0 0 "[ . 1 . 2]" 1
1024 1 37 TYR H 1 38 ARG HA . . 5.500 5.194 4.976 5.533 0.033 20 0 "[ . 1 . 2]" 1
1025 1 37 TYR H 1 38 ARG HG2 . . 5.500 4.110 3.714 5.008 . 0 0 "[ . 1 . 2]" 1
1026 1 37 TYR HA 1 37 TYR QD . . 3.510 3.571 3.429 3.616 0.106 20 0 "[ . 1 . 2]" 1
1027 1 37 TYR HA 1 38 ARG HG2 . . 5.500 5.431 5.088 6.017 0.517 10 1 "[ . + . 2]" 1
1028 1 37 TYR HA 1 39 TYR H . . 5.120 4.231 3.789 4.658 . 0 0 "[ . 1 . 2]" 1
1029 1 37 TYR QD 1 38 ARG H . . 5.120 3.114 2.845 3.454 . 0 0 "[ . 1 . 2]" 1
1030 1 37 TYR QD 1 38 ARG HA . . 4.330 3.978 3.495 4.244 . 0 0 "[ . 1 . 2]" 1
1031 1 37 TYR QD 1 38 ARG HE . . 3.950 3.268 2.289 3.999 0.049 15 0 "[ . 1 . 2]" 1
1032 1 37 TYR QD 1 38 ARG HG2 . . 4.220 2.498 2.114 2.940 . 0 0 "[ . 1 . 2]" 1
1033 1 37 TYR QD 1 38 ARG HG3 . . 4.550 3.955 2.516 4.346 . 0 0 "[ . 1 . 2]" 1
1034 1 37 TYR QE 1 38 ARG HE . . 3.120 3.163 2.987 3.218 0.098 16 0 "[ . 1 . 2]" 1
1035 1 37 TYR QE 1 38 ARG HG2 . . 4.030 3.287 2.664 4.185 0.155 10 0 "[ . 1 . 2]" 1
1036 1 37 TYR QE 1 38 ARG HG3 . . 4.340 4.139 3.076 4.417 0.077 19 0 "[ . 1 . 2]" 1
1037 1 38 ARG H 1 38 ARG HB3 . . 4.200 3.647 3.589 3.692 . 0 0 "[ . 1 . 2]" 1
1038 1 38 ARG H 1 38 ARG HD2 . . 5.180 4.771 4.283 5.139 . 0 0 "[ . 1 . 2]" 1
1039 1 38 ARG H 1 38 ARG HD3 . . 4.940 4.091 3.670 4.909 . 0 0 "[ . 1 . 2]" 1
1040 1 38 ARG H 1 38 ARG HG2 . . 3.750 2.543 2.274 3.271 . 0 0 "[ . 1 . 2]" 1
1041 1 38 ARG H 1 38 ARG HG3 . . 4.010 3.592 2.285 3.945 . 0 0 "[ . 1 . 2]" 1
1042 1 38 ARG H 1 39 TYR H . . 3.450 2.301 2.068 2.510 . 0 0 "[ . 1 . 2]" 1
1043 1 38 ARG H 1 39 TYR QD . . 5.500 4.073 3.590 4.569 . 0 0 "[ . 1 . 2]" 1
1044 1 38 ARG HA 1 38 ARG HD2 . . 4.970 3.451 2.720 4.641 . 0 0 "[ . 1 . 2]" 1
1045 1 38 ARG HA 1 38 ARG HD3 . . 4.970 2.575 2.145 4.176 . 0 0 "[ . 1 . 2]" 1
1046 1 38 ARG HA 1 38 ARG HE . . 5.500 4.720 3.572 5.586 0.086 15 0 "[ . 1 . 2]" 1
1047 1 38 ARG HA 1 38 ARG HG2 . . 3.540 3.105 2.376 3.352 . 0 0 "[ . 1 . 2]" 1
1048 1 38 ARG HA 1 38 ARG HG3 . . 4.070 3.838 3.307 3.981 . 0 0 "[ . 1 . 2]" 1
1049 1 38 ARG HB2 1 39 TYR H . . 4.490 2.757 2.332 3.152 . 0 0 "[ . 1 . 2]" 1
1050 1 38 ARG HB2 1 39 TYR HA . . 5.170 4.221 3.967 4.514 . 0 0 "[ . 1 . 2]" 1
1051 1 38 ARG HB3 1 38 ARG HE . . 5.090 4.517 4.402 4.803 . 0 0 "[ . 1 . 2]" 1
1052 1 38 ARG HB3 1 39 TYR H . . 4.390 3.839 3.509 4.129 . 0 0 "[ . 1 . 2]" 1
1053 1 38 ARG HG2 1 39 TYR H . . 4.560 4.359 4.056 4.991 0.431 10 0 "[ . 1 . 2]" 1
1054 1 38 ARG HG3 1 39 TYR H . . 5.500 4.860 4.128 5.360 . 0 0 "[ . 1 . 2]" 1
1055 1 39 TYR H 1 39 TYR HB3 . . 3.600 3.545 3.487 3.599 . 0 0 "[ . 1 . 2]" 1
1056 1 39 TYR H 1 39 TYR QD . . 4.390 2.878 2.530 3.194 . 0 0 "[ . 1 . 2]" 1
1057 1 39 TYR H 1 40 PRO HD2 . . 5.500 4.841 4.753 4.920 . 0 0 "[ . 1 . 2]" 1
1058 1 39 TYR HA 1 39 TYR QD . . 2.950 2.386 2.189 2.713 . 0 0 "[ . 1 . 2]" 1
1059 1 39 TYR HA 1 40 PRO HD2 . . 3.880 2.555 2.323 2.714 . 0 0 "[ . 1 . 2]" 1
1060 1 39 TYR HA 1 40 PRO HD3 . . 3.840 2.537 2.322 2.805 . 0 0 "[ . 1 . 2]" 1
1061 1 39 TYR HA 1 40 PRO HG2 . . 5.500 4.677 4.469 4.836 . 0 0 "[ . 1 . 2]" 1
1062 1 39 TYR HA 1 40 PRO HG3 . . 5.490 4.726 4.564 4.925 . 0 0 "[ . 1 . 2]" 1
1063 1 39 TYR HA 1 69 HIS HE1 . . 4.810 4.160 3.385 4.859 0.049 12 0 "[ . 1 . 2]" 1
1064 1 39 TYR HA 1 80 PHE QE . . 4.680 4.329 3.806 4.775 0.095 2 0 "[ . 1 . 2]" 1
1065 1 39 TYR HA 1 88 MET ME . . 5.290 4.980 4.644 5.371 0.081 11 0 "[ . 1 . 2]" 1
1066 1 39 TYR HA 1 88 MET HG2 . . 5.410 4.231 3.615 6.219 0.809 3 1 "[ + . 1 . 2]" 1
1067 1 39 TYR HA 1 91 VAL QG . . 5.500 4.263 4.029 4.469 . 0 0 "[ . 1 . 2]" 1
1068 1 39 TYR HB2 1 91 VAL QG . . 3.950 3.240 2.865 3.531 . 0 0 "[ . 1 . 2]" 1
1069 1 39 TYR HB3 1 40 PRO HD3 . . 5.000 3.562 3.466 3.761 . 0 0 "[ . 1 . 2]" 1
1070 1 39 TYR HB3 1 91 VAL QG . . 5.100 2.410 2.223 2.669 . 0 0 "[ . 1 . 2]" 1
1071 1 39 TYR QD 1 40 PRO HD2 . . 5.500 2.668 2.291 3.129 . 0 0 "[ . 1 . 2]" 1
1072 1 39 TYR QD 1 40 PRO HD3 . . 5.200 3.342 2.944 3.750 . 0 0 "[ . 1 . 2]" 1
1073 1 39 TYR QD 1 80 PHE QE . . 4.310 4.142 3.585 4.422 0.112 2 0 "[ . 1 . 2]" 1
1074 1 39 TYR QD 1 84 ASP HB3 . . 5.380 4.534 4.091 4.865 . 0 0 "[ . 1 . 2]" 1
1075 1 39 TYR QD 1 88 MET H . . 5.200 4.339 3.999 4.637 . 0 0 "[ . 1 . 2]" 1
1076 1 39 TYR QD 1 88 MET HA . . 5.150 3.936 3.434 4.139 . 0 0 "[ . 1 . 2]" 1
1077 1 39 TYR QD 1 88 MET ME . . 4.500 3.904 3.395 4.230 . 0 0 "[ . 1 . 2]" 1
1078 1 39 TYR QD 1 88 MET HG2 . . 5.500 2.777 2.182 4.631 . 0 0 "[ . 1 . 2]" 1
1079 1 39 TYR QD 1 88 MET HG3 . . 5.430 2.334 2.094 2.988 . 0 0 "[ . 1 . 2]" 1
1080 1 39 TYR QD 1 91 VAL HB . . 5.500 5.371 4.911 5.592 0.092 5 0 "[ . 1 . 2]" 1
1081 1 39 TYR QD 1 91 VAL QG . . 4.070 3.254 3.033 3.491 . 0 0 "[ . 1 . 2]" 1
1082 1 39 TYR QD 1 92 VAL QG . . 5.370 5.332 5.099 5.409 0.039 7 0 "[ . 1 . 2]" 1
1083 1 39 TYR QE 1 80 PHE QE . . 5.240 4.304 3.670 5.079 . 0 0 "[ . 1 . 2]" 1
1084 1 39 TYR QE 1 84 ASP HA . . 3.980 2.810 2.435 3.360 . 0 0 "[ . 1 . 2]" 1
1085 1 39 TYR QE 1 84 ASP HB2 . . 5.500 4.347 3.933 5.025 . 0 0 "[ . 1 . 2]" 1
1086 1 39 TYR QE 1 84 ASP HB3 . . 3.470 2.786 2.254 3.516 0.046 13 0 "[ . 1 . 2]" 1
1087 1 39 TYR QE 1 85 VAL MG2 . . 5.500 5.561 5.371 5.625 0.125 13 0 "[ . 1 . 2]" 1
1088 1 39 TYR QE 1 87 MET H . . 4.510 4.545 4.288 4.608 0.098 11 0 "[ . 1 . 2]" 1
1089 1 39 TYR QE 1 87 MET HB2 . . 5.180 2.686 2.351 3.034 . 0 0 "[ . 1 . 2]" 1
1090 1 39 TYR QE 1 87 MET HB3 . . 3.910 3.631 3.316 3.851 . 0 0 "[ . 1 . 2]" 1
1091 1 39 TYR QE 1 87 MET QG . . 5.500 3.391 3.132 3.549 . 0 0 "[ . 1 . 2]" 1
1092 1 39 TYR QE 1 88 MET HA . . 5.500 4.787 4.486 5.132 . 0 0 "[ . 1 . 2]" 1
1093 1 39 TYR QE 1 88 MET ME . . 4.660 4.040 3.247 4.738 0.078 10 0 "[ . 1 . 2]" 1
1094 1 39 TYR QE 1 91 VAL QG . . 5.280 4.271 3.766 4.684 . 0 0 "[ . 1 . 2]" 1
1095 1 40 PRO HA 1 41 ASN H . . 3.020 2.324 2.226 2.504 . 0 0 "[ . 1 . 2]" 1
1096 1 40 PRO HA 1 41 ASN HA . . 5.130 4.492 4.429 4.577 . 0 0 "[ . 1 . 2]" 1
1097 1 40 PRO HA 1 42 GLN H . . 3.880 3.800 3.408 3.951 0.071 8 0 "[ . 1 . 2]" 1
1098 1 40 PRO HA 1 69 HIS HE1 . . 4.290 3.303 2.523 4.347 0.057 12 0 "[ . 1 . 2]" 1
1099 1 40 PRO HB2 1 41 ASN H . . 4.320 2.942 2.427 3.359 . 0 0 "[ . 1 . 2]" 1
1100 1 40 PRO HB2 1 42 GLN H . . 3.910 2.655 2.253 3.263 . 0 0 "[ . 1 . 2]" 1
1101 1 40 PRO HB2 1 65 THR MG . . 4.110 3.505 3.019 4.081 . 0 0 "[ . 1 . 2]" 1
1102 1 40 PRO HB2 1 91 VAL QG . . 5.500 4.264 3.611 5.014 . 0 0 "[ . 1 . 2]" 1
1103 1 40 PRO HB2 1 92 VAL QG . . 4.560 3.706 3.048 4.318 . 0 0 "[ . 1 . 2]" 1
1104 1 40 PRO HB2 1 95 MET ME . . 3.200 3.049 2.317 3.311 0.111 12 0 "[ . 1 . 2]" 1
1105 1 40 PRO HB3 1 41 ASN H . . 3.970 3.561 3.298 3.972 0.002 13 0 "[ . 1 . 2]" 1
1106 1 40 PRO HB3 1 42 GLN H . . 4.460 3.891 3.603 4.305 . 0 0 "[ . 1 . 2]" 1
1107 1 40 PRO HB3 1 65 THR MG . . 4.930 3.896 3.296 4.538 . 0 0 "[ . 1 . 2]" 1
1108 1 40 PRO HB3 1 69 HIS HD2 . . 4.960 4.544 3.980 5.019 0.059 7 0 "[ . 1 . 2]" 1
1109 1 40 PRO HB3 1 69 HIS HE1 . . 4.680 3.249 2.703 4.025 . 0 0 "[ . 1 . 2]" 1
1110 1 40 PRO HB3 1 92 VAL QG . . 5.000 4.438 3.824 4.889 . 0 0 "[ . 1 . 2]" 1
1111 1 40 PRO HD2 1 69 HIS HE1 . . 5.260 4.710 4.504 5.151 . 0 0 "[ . 1 . 2]" 1
1112 1 40 PRO HD2 1 88 MET HG2 . . 5.340 2.656 2.250 4.046 . 0 0 "[ . 1 . 2]" 1
1113 1 40 PRO HD2 1 91 VAL QG . . 5.500 2.713 2.314 3.080 . 0 0 "[ . 1 . 2]" 1
1114 1 40 PRO HD2 1 92 VAL QG . . 4.470 4.007 3.576 4.485 0.015 12 0 "[ . 1 . 2]" 1
1115 1 40 PRO HD2 1 95 MET ME . . 5.500 4.310 3.841 4.736 . 0 0 "[ . 1 . 2]" 1
1116 1 40 PRO HD3 1 88 MET HG2 . . 5.500 3.258 2.355 4.851 . 0 0 "[ . 1 . 2]" 1
1117 1 40 PRO HD3 1 92 VAL QG . . 5.030 4.629 4.020 5.015 . 0 0 "[ . 1 . 2]" 1
1118 1 40 PRO HG2 1 41 ASN H . . 5.500 4.712 4.288 5.003 . 0 0 "[ . 1 . 2]" 1
1119 1 40 PRO HG2 1 42 GLN H . . 5.500 4.732 4.252 5.376 . 0 0 "[ . 1 . 2]" 1
1120 1 40 PRO HG2 1 91 VAL QG . . 4.260 2.539 2.147 3.230 . 0 0 "[ . 1 . 2]" 1
1121 1 40 PRO HG2 1 92 VAL QG . . 4.270 2.700 2.268 3.343 . 0 0 "[ . 1 . 2]" 1
1122 1 40 PRO HG3 1 69 HIS QB . . 5.100 3.814 3.224 4.292 . 0 0 "[ . 1 . 2]" 1
1123 1 40 PRO HG3 1 69 HIS HD2 . . 4.230 3.853 3.482 4.281 0.051 13 0 "[ . 1 . 2]" 1
1124 1 40 PRO HG3 1 69 HIS HE1 . . 5.080 4.454 3.661 5.127 0.047 10 0 "[ . 1 . 2]" 1
1125 1 40 PRO HG3 1 91 VAL QG . . 4.310 3.685 3.270 4.312 0.002 3 0 "[ . 1 . 2]" 1
1126 1 40 PRO HG3 1 92 VAL QG . . 4.880 3.032 2.330 3.527 . 0 0 "[ . 1 . 2]" 1
1127 1 41 ASN H 1 41 ASN QD . . 5.500 3.732 2.249 4.434 . 0 0 "[ . 1 . 2]" 1
1128 1 41 ASN H 1 42 GLN H . . 3.120 2.050 1.667 2.233 . 0 0 "[ . 1 . 2]" 1
1129 1 41 ASN H 1 42 GLN HA . . 4.740 4.688 4.305 4.808 0.068 16 0 "[ . 1 . 2]" 1
1130 1 41 ASN H 1 42 GLN HB3 . . 5.500 5.351 5.047 5.691 0.191 1 0 "[ . 1 . 2]" 1
1131 1 41 ASN H 1 42 GLN QG . . 5.500 3.991 3.841 4.389 . 0 0 "[ . 1 . 2]" 1
1132 1 41 ASN H 1 43 VAL QG . . 5.500 5.275 4.733 5.399 . 0 0 "[ . 1 . 2]" 1
1133 1 41 ASN H 1 95 MET ME . . 4.610 4.112 3.356 4.618 0.008 2 0 "[ . 1 . 2]" 1
1134 1 41 ASN HA 1 91 VAL QG . . 5.500 4.833 4.132 5.272 . 0 0 "[ . 1 . 2]" 1
1135 1 41 ASN HA 1 95 MET ME . . 3.520 3.074 2.312 3.573 0.053 2 0 "[ . 1 . 2]" 1
1136 1 41 ASN QB 1 42 GLN H . . 5.400 3.952 3.794 4.091 . 0 0 "[ . 1 . 2]" 1
1137 1 41 ASN QB 1 95 MET ME . . 5.500 4.484 3.733 4.975 . 0 0 "[ . 1 . 2]" 1
1138 1 42 GLN H 1 42 GLN HB3 . . 3.680 3.701 3.473 3.819 0.139 5 0 "[ . 1 . 2]" 1
1139 1 42 GLN H 1 42 GLN QG . . 4.560 3.286 3.056 3.664 . 0 0 "[ . 1 . 2]" 1
1140 1 42 GLN H 1 43 VAL H . . 4.910 4.404 4.233 4.489 . 0 0 "[ . 1 . 2]" 1
1141 1 42 GLN H 1 43 VAL QG . . 4.980 3.928 3.548 4.772 . 0 0 "[ . 1 . 2]" 1
1142 1 42 GLN H 1 95 MET ME . . 3.660 3.551 2.929 3.743 0.083 2 0 "[ . 1 . 2]" 1
1143 1 42 GLN HA 1 42 GLN HE21 . . 5.390 4.606 4.090 5.092 . 0 0 "[ . 1 . 2]" 1
1144 1 42 GLN HA 1 43 VAL H . . 3.160 2.372 2.204 2.621 . 0 0 "[ . 1 . 2]" 1
1145 1 42 GLN HA 1 43 VAL QG . . 4.430 3.229 2.899 3.997 . 0 0 "[ . 1 . 2]" 1
1146 1 42 GLN HB2 1 42 GLN HE21 . . 4.520 4.200 3.754 4.583 0.063 13 0 "[ . 1 . 2]" 1
1147 1 42 GLN HB2 1 42 GLN HE22 . . 5.080 4.569 4.300 5.067 . 0 0 "[ . 1 . 2]" 1
1148 1 42 GLN HB2 1 43 VAL H . . 4.220 3.943 3.498 4.270 0.050 4 0 "[ . 1 . 2]" 1
1149 1 42 GLN HB3 1 42 GLN HE21 . . 4.490 3.399 2.741 4.255 . 0 0 "[ . 1 . 2]" 1
1150 1 42 GLN HB3 1 42 GLN HE22 . . 5.290 4.176 3.749 4.505 . 0 0 "[ . 1 . 2]" 1
1151 1 42 GLN HB3 1 43 VAL H . . 4.280 2.709 2.191 3.252 . 0 0 "[ . 1 . 2]" 1
1152 1 42 GLN HB3 1 43 VAL QG . . 5.500 4.265 3.985 4.634 . 0 0 "[ . 1 . 2]" 1
1153 1 42 GLN QG 1 43 VAL H . . 5.500 3.789 3.322 4.114 . 0 0 "[ . 1 . 2]" 1
1154 1 43 VAL H 1 43 VAL QG . . 3.340 2.340 2.160 2.814 . 0 0 "[ . 1 . 2]" 1
1155 1 43 VAL H 1 44 TYR QD . . 5.500 5.234 4.607 5.575 0.075 16 0 "[ . 1 . 2]" 1
1156 1 43 VAL HA 1 44 TYR H . . 3.450 2.312 2.138 2.467 . 0 0 "[ . 1 . 2]" 1
1157 1 43 VAL HA 1 44 TYR QD . . 4.290 3.240 2.517 3.711 . 0 0 "[ . 1 . 2]" 1
1158 1 43 VAL HA 1 65 THR MG . . 3.420 2.426 2.198 2.796 . 0 0 "[ . 1 . 2]" 1
1159 1 43 VAL HA 1 92 VAL QG . . 5.500 3.573 3.149 4.295 . 0 0 "[ . 1 . 2]" 1
1160 1 43 VAL HB 1 44 TYR H . . 3.740 2.962 2.417 3.846 0.106 10 0 "[ . 1 . 2]" 1
1161 1 43 VAL HB 1 65 THR HB . . 5.350 4.700 4.186 5.442 0.092 9 0 "[ . 1 . 2]" 1
1162 1 43 VAL HB 1 65 THR HG1 . . 4.490 3.508 2.876 4.574 0.084 20 0 "[ . 1 . 2]" 1
1163 1 43 VAL HB 1 65 THR MG . . 4.150 3.551 3.077 3.911 . 0 0 "[ . 1 . 2]" 1
1164 1 43 VAL HB 1 92 VAL QG . . 5.350 3.039 2.524 4.337 . 0 0 "[ . 1 . 2]" 1
1165 1 43 VAL QG 1 44 TYR H . . 4.140 3.228 2.345 3.544 . 0 0 "[ . 1 . 2]" 1
1166 1 43 VAL QG 1 44 TYR HA . . 5.500 4.025 3.629 4.400 . 0 0 "[ . 1 . 2]" 1
1167 1 43 VAL QG 1 45 TYR QD . . 3.330 2.780 2.179 3.410 0.080 4 0 "[ . 1 . 2]" 1
1168 1 43 VAL QG 1 45 TYR QE . . 4.190 3.670 2.720 4.231 0.041 16 0 "[ . 1 . 2]" 1
1169 1 43 VAL QG 1 65 THR HG1 . . 5.080 3.504 2.021 4.036 . 0 0 "[ . 1 . 2]" 1
1170 1 43 VAL QG 1 65 THR MG . . 3.710 2.304 2.011 2.700 . 0 0 "[ . 1 . 2]" 1
1171 1 43 VAL QG 1 92 VAL H . . 5.500 4.589 4.402 5.089 . 0 0 "[ . 1 . 2]" 1
1172 1 43 VAL QG 1 92 VAL HA . . 4.470 2.384 2.145 3.020 . 0 0 "[ . 1 . 2]" 1
1173 1 43 VAL QG 1 92 VAL QG . . 5.270 2.113 1.884 2.842 . 0 0 "[ . 1 . 2]" 1
1174 1 43 VAL QG 1 95 MET H . . 4.860 3.942 3.709 4.317 . 0 0 "[ . 1 . 2]" 1
1175 1 43 VAL QG 1 95 MET HA . . 5.050 3.910 3.664 4.392 . 0 0 "[ . 1 . 2]" 1
1176 1 43 VAL QG 1 95 MET HB2 . . 3.570 2.266 2.118 2.821 . 0 0 "[ . 1 . 2]" 1
1177 1 43 VAL QG 1 95 MET HB3 . . 3.810 2.275 2.081 2.894 . 0 0 "[ . 1 . 2]" 1
1178 1 43 VAL QG 1 95 MET ME . . 2.950 2.170 1.898 2.854 . 0 0 "[ . 1 . 2]" 1
1179 1 43 VAL QG 1 95 MET HG3 . . 5.350 4.014 3.720 4.838 . 0 0 "[ . 1 . 2]" 1
1180 1 43 VAL QG 1 96 CYS H . . 4.390 2.985 2.733 3.356 . 0 0 "[ . 1 . 2]" 1
1181 1 43 VAL QG 1 96 CYS HA . . 3.620 2.377 2.077 2.788 . 0 0 "[ . 1 . 2]" 1
1182 1 43 VAL QG 1 97 VAL H . . 5.500 4.681 4.451 5.035 . 0 0 "[ . 1 . 2]" 1
1183 1 43 VAL QG 1 98 THR MG . . 5.500 5.304 5.216 5.401 . 0 0 "[ . 1 . 2]" 1
1184 1 43 VAL QG 1 99 GLN H . . 4.850 4.050 3.862 4.422 . 0 0 "[ . 1 . 2]" 1
1185 1 43 VAL QG 1 99 GLN HA . . 5.310 4.889 4.576 5.306 . 0 0 "[ . 1 . 2]" 1
1186 1 43 VAL QG 1 99 GLN HB2 . . 4.280 2.900 2.577 3.333 . 0 0 "[ . 1 . 2]" 1
1187 1 43 VAL QG 1 99 GLN HB3 . . 4.520 3.174 2.776 3.685 . 0 0 "[ . 1 . 2]" 1
1188 1 44 TYR H 1 44 TYR HB2 . . 3.460 2.472 2.299 2.700 . 0 0 "[ . 1 . 2]" 1
1189 1 44 TYR H 1 44 TYR QD . . 3.670 2.428 2.273 2.601 . 0 0 "[ . 1 . 2]" 1
1190 1 44 TYR H 1 44 TYR QE . . 4.420 4.504 4.468 4.523 0.103 20 0 "[ . 1 . 2]" 1
1191 1 44 TYR H 1 45 TYR QD . . 4.670 4.483 4.153 4.740 0.070 16 0 "[ . 1 . 2]" 1
1192 1 44 TYR H 1 64 ILE MG . . 4.540 3.993 3.724 4.223 . 0 0 "[ . 1 . 2]" 1
1193 1 44 TYR H 1 65 THR HA . . 4.790 3.801 3.555 4.153 . 0 0 "[ . 1 . 2]" 1
1194 1 44 TYR H 1 65 THR HB . . 4.770 4.093 3.920 4.328 . 0 0 "[ . 1 . 2]" 1
1195 1 44 TYR H 1 65 THR HG1 . . 3.880 2.454 2.154 2.684 . 0 0 "[ . 1 . 2]" 1
1196 1 44 TYR H 1 65 THR MG . . 3.740 3.334 3.109 3.705 . 0 0 "[ . 1 . 2]" 1
1197 1 44 TYR H 1 92 VAL QG . . 5.500 4.063 3.827 4.808 . 0 0 "[ . 1 . 2]" 1
1198 1 44 TYR HA 1 44 TYR QD . . 4.080 3.075 2.866 3.217 . 0 0 "[ . 1 . 2]" 1
1199 1 44 TYR HA 1 45 TYR H . . 3.290 2.290 2.175 2.386 . 0 0 "[ . 1 . 2]" 1
1200 1 44 TYR HA 1 45 TYR HA . . 4.830 4.557 4.497 4.651 . 0 0 "[ . 1 . 2]" 1
1201 1 44 TYR HA 1 45 TYR QD . . 3.980 3.176 2.921 3.590 . 0 0 "[ . 1 . 2]" 1
1202 1 44 TYR HA 1 45 TYR QE . . 4.750 4.307 3.927 4.795 0.045 3 0 "[ . 1 . 2]" 1
1203 1 44 TYR HA 1 64 ILE MG . . 5.170 4.328 4.172 4.426 . 0 0 "[ . 1 . 2]" 1
1204 1 44 TYR HB2 1 45 TYR H . . 5.500 3.984 3.807 4.259 . 0 0 "[ . 1 . 2]" 1
1205 1 44 TYR HB2 1 64 ILE HB . . 5.230 2.950 2.565 3.348 . 0 0 "[ . 1 . 2]" 1
1206 1 44 TYR HB2 1 64 ILE QG . . 5.360 4.253 3.727 4.633 . 0 0 "[ . 1 . 2]" 1
1207 1 44 TYR HB2 1 64 ILE MG . . 3.570 2.018 1.949 2.125 . 0 0 "[ . 1 . 2]" 1
1208 1 44 TYR HB2 1 65 THR H . . 4.950 3.577 3.197 3.832 . 0 0 "[ . 1 . 2]" 1
1209 1 44 TYR HB2 1 65 THR HA . . 5.500 3.704 3.189 3.914 . 0 0 "[ . 1 . 2]" 1
1210 1 44 TYR HB2 1 65 THR HG1 . . 5.500 3.547 3.148 3.813 . 0 0 "[ . 1 . 2]" 1
1211 1 44 TYR HB3 1 45 TYR H . . 4.130 2.993 2.625 3.398 . 0 0 "[ . 1 . 2]" 1
1212 1 44 TYR HB3 1 64 ILE HB . . 5.500 3.950 3.596 4.307 . 0 0 "[ . 1 . 2]" 1
1213 1 44 TYR HB3 1 64 ILE QG . . 5.440 4.453 3.857 4.838 . 0 0 "[ . 1 . 2]" 1
1214 1 44 TYR HB3 1 64 ILE MG . . 3.640 2.398 2.162 2.544 . 0 0 "[ . 1 . 2]" 1
1215 1 44 TYR HB3 1 65 THR H . . 5.500 5.254 4.799 5.521 0.021 13 0 "[ . 1 . 2]" 1
1216 1 44 TYR HB3 1 65 THR HA . . 5.340 5.230 4.664 5.409 0.069 18 0 "[ . 1 . 2]" 1
1217 1 44 TYR QD 1 45 TYR H . . 4.690 4.189 3.686 4.586 . 0 0 "[ . 1 . 2]" 1
1218 1 44 TYR QD 1 64 ILE HA . . 5.500 5.571 5.507 5.603 0.103 3 0 "[ . 1 . 2]" 1
1219 1 44 TYR QD 1 64 ILE MG . . 4.150 2.942 2.732 3.164 . 0 0 "[ . 1 . 2]" 1
1220 1 44 TYR QD 1 65 THR H . . 4.830 3.775 3.518 4.097 . 0 0 "[ . 1 . 2]" 1
1221 1 44 TYR QD 1 65 THR HA . . 3.180 2.133 1.952 2.323 . 0 0 "[ . 1 . 2]" 1
1222 1 44 TYR QD 1 65 THR MG . . 4.100 2.806 2.359 3.143 . 0 0 "[ . 1 . 2]" 1
1223 1 44 TYR QD 1 68 GLN H . . 5.500 4.938 4.726 5.153 . 0 0 "[ . 1 . 2]" 1
1224 1 44 TYR QD 1 68 GLN QB . . 5.080 3.378 2.924 3.769 . 0 0 "[ . 1 . 2]" 1
1225 1 44 TYR QD 1 68 GLN HG2 . . 5.500 4.523 3.500 5.041 . 0 0 "[ . 1 . 2]" 1
1226 1 44 TYR QD 1 68 GLN HG3 . . 5.290 3.931 3.411 4.404 . 0 0 "[ . 1 . 2]" 1
1227 1 44 TYR QE 1 64 ILE MG . . 4.550 4.244 3.857 4.609 0.059 15 0 "[ . 1 . 2]" 1
1228 1 44 TYR QE 1 65 THR HA . . 3.760 3.127 2.762 3.593 . 0 0 "[ . 1 . 2]" 1
1229 1 44 TYR QE 1 65 THR MG . . 3.490 3.163 2.646 3.582 0.092 17 0 "[ . 1 . 2]" 1
1230 1 44 TYR QE 1 68 GLN H . . 5.030 4.839 4.550 5.094 0.064 17 0 "[ . 1 . 2]" 1
1231 1 44 TYR QE 1 68 GLN QB . . 3.950 2.688 2.257 3.054 . 0 0 "[ . 1 . 2]" 1
1232 1 45 TYR H 1 45 TYR QD . . 3.480 2.924 2.561 3.142 . 0 0 "[ . 1 . 2]" 1
1233 1 45 TYR H 1 46 ARG H . . 5.430 4.397 4.354 4.448 . 0 0 "[ . 1 . 2]" 1
1234 1 45 TYR H 1 64 ILE MG . . 5.500 4.554 4.225 4.881 . 0 0 "[ . 1 . 2]" 1
1235 1 45 TYR HA 1 45 TYR QD . . 3.880 3.780 3.729 3.828 . 0 0 "[ . 1 . 2]" 1
1236 1 45 TYR HA 1 46 ARG H . . 3.400 2.471 2.343 2.588 . 0 0 "[ . 1 . 2]" 1
1237 1 45 TYR QB 1 46 ARG H . . 4.380 2.393 2.110 2.624 . 0 0 "[ . 1 . 2]" 1
1238 1 45 TYR QB 1 57 PHE QD . . 5.500 3.342 2.959 3.995 . 0 0 "[ . 1 . 2]" 1
1239 1 45 TYR QB 1 57 PHE QE . . 4.320 2.774 2.486 3.294 . 0 0 "[ . 1 . 2]" 1
1240 1 45 TYR QB 1 57 PHE HZ . . 3.880 3.047 2.696 3.889 0.009 11 0 "[ . 1 . 2]" 1
1241 1 45 TYR HB2 1 46 ARG H . . 3.850 2.422 2.127 2.664 . 0 0 "[ . 1 . 2]" 1
1242 1 45 TYR QD 1 46 ARG H . . 3.920 3.449 3.020 3.844 . 0 0 "[ . 1 . 2]" 1
1243 1 45 TYR QD 1 46 ARG HA . . 4.820 3.968 3.676 4.285 . 0 0 "[ . 1 . 2]" 1
1244 1 45 TYR QD 1 46 ARG HB3 . . 5.500 5.353 5.139 5.560 0.060 12 0 "[ . 1 . 2]" 1
1245 1 45 TYR QD 1 47 PRO HA . . 4.290 3.330 2.670 3.660 . 0 0 "[ . 1 . 2]" 1
1246 1 45 TYR QD 1 47 PRO HB3 . . 5.460 5.045 4.403 5.464 0.004 16 0 "[ . 1 . 2]" 1
1247 1 45 TYR QD 1 47 PRO HD3 . . 4.800 4.808 4.479 4.899 0.099 3 0 "[ . 1 . 2]" 1
1248 1 45 TYR QD 1 48 VAL H . . 5.220 4.501 3.638 5.027 . 0 0 "[ . 1 . 2]" 1
1249 1 45 TYR QD 1 48 VAL QG . . 5.500 4.317 3.922 4.761 . 0 0 "[ . 1 . 2]" 1
1250 1 45 TYR QD 1 57 PHE QE . . 3.380 2.784 2.504 3.270 . 0 0 "[ . 1 . 2]" 1
1251 1 45 TYR QD 1 57 PHE HZ . . 3.660 3.157 2.862 3.722 0.062 11 0 "[ . 1 . 2]" 1
1252 1 45 TYR QD 1 99 GLN HG2 . . 4.310 2.928 2.424 3.685 . 0 0 "[ . 1 . 2]" 1
1253 1 45 TYR QE 1 47 PRO HA . . 4.120 3.671 2.994 4.144 0.024 3 0 "[ . 1 . 2]" 1
1254 1 45 TYR QE 1 47 PRO HB3 . . 4.890 4.697 3.873 4.985 0.095 2 0 "[ . 1 . 2]" 1
1255 1 45 TYR QE 1 48 VAL H . . 5.430 5.013 4.151 5.496 0.066 12 0 "[ . 1 . 2]" 1
1256 1 45 TYR QE 1 57 PHE QE . . 4.810 4.025 3.650 4.518 . 0 0 "[ . 1 . 2]" 1
1257 1 45 TYR QE 1 99 GLN HE21 . . 5.500 3.467 2.491 4.307 . 0 0 "[ . 1 . 2]" 1
1258 1 45 TYR QE 1 99 GLN HE22 . . 4.860 4.192 3.266 4.929 0.069 5 0 "[ . 1 . 2]" 1
1259 1 45 TYR QE 1 103 GLU HG2 . . 4.190 4.012 3.375 4.304 0.114 11 0 "[ . 1 . 2]" 1
1260 1 45 TYR QE 1 103 GLU HG3 . . 5.500 2.804 2.381 4.706 . 0 0 "[ . 1 . 2]" 1
1261 1 46 ARG H 1 46 ARG HB2 . . 3.940 2.390 2.294 2.748 . 0 0 "[ . 1 . 2]" 1
1262 1 46 ARG H 1 46 ARG HB3 . . 4.090 3.550 3.184 3.798 . 0 0 "[ . 1 . 2]" 1
1263 1 46 ARG H 1 46 ARG QD . . 5.470 4.201 3.906 4.630 . 0 0 "[ . 1 . 2]" 1
1264 1 46 ARG H 1 46 ARG HG2 . . 4.710 3.507 2.836 4.676 . 0 0 "[ . 1 . 2]" 1
1265 1 46 ARG H 1 46 ARG HG3 . . 4.690 3.880 3.093 4.168 . 0 0 "[ . 1 . 2]" 1
1266 1 46 ARG H 1 47 PRO HD2 . . 5.500 4.911 4.784 5.084 . 0 0 "[ . 1 . 2]" 1
1267 1 46 ARG H 1 47 PRO HD3 . . 5.500 5.068 4.831 5.306 . 0 0 "[ . 1 . 2]" 1
1268 1 46 ARG H 1 57 PHE QE . . 5.500 4.299 3.850 4.694 . 0 0 "[ . 1 . 2]" 1
1269 1 46 ARG HA 1 46 ARG QD . . 4.740 2.890 2.088 3.948 . 0 0 "[ . 1 . 2]" 1
1270 1 46 ARG HA 1 46 ARG HG2 . . 4.240 2.713 2.211 3.072 . 0 0 "[ . 1 . 2]" 1
1271 1 46 ARG HA 1 46 ARG HG3 . . 4.040 3.249 2.289 3.738 . 0 0 "[ . 1 . 2]" 1
1272 1 46 ARG HA 1 47 PRO HD2 . . 3.480 2.744 2.406 3.289 . 0 0 "[ . 1 . 2]" 1
1273 1 46 ARG HA 1 47 PRO HD3 . . 3.400 2.433 2.184 2.830 . 0 0 "[ . 1 . 2]" 1
1274 1 46 ARG HA 1 47 PRO HG2 . . 4.990 4.784 4.533 5.064 0.074 3 0 "[ . 1 . 2]" 1
1275 1 46 ARG HB2 1 46 ARG HE . . 5.410 4.886 4.490 5.290 . 0 0 "[ . 1 . 2]" 1
1276 1 46 ARG HB2 1 47 PRO HD2 . . 4.470 3.763 3.394 4.142 . 0 0 "[ . 1 . 2]" 1
1277 1 46 ARG HB2 1 47 PRO HD3 . . 4.780 4.648 3.977 4.875 0.095 1 0 "[ . 1 . 2]" 1
1278 1 46 ARG HB3 1 46 ARG HE . . 4.940 4.605 4.071 4.815 . 0 0 "[ . 1 . 2]" 1
1279 1 46 ARG HB3 1 47 PRO HD2 . . 4.310 2.226 2.020 2.609 . 0 0 "[ . 1 . 2]" 1
1280 1 46 ARG HB3 1 47 PRO HD3 . . 4.660 3.453 2.674 3.727 . 0 0 "[ . 1 . 2]" 1
1281 1 46 ARG QD 1 47 PRO HD2 . . 5.500 2.904 2.057 4.184 . 0 0 "[ . 1 . 2]" 1
1282 1 46 ARG QD 1 47 PRO HD3 . . 5.500 3.677 2.497 5.188 . 0 0 "[ . 1 . 2]" 1
1283 1 46 ARG QD 1 64 ILE MD . . 5.500 5.180 4.818 5.405 . 0 0 "[ . 1 . 2]" 1
1284 1 46 ARG HE 1 64 ILE MD . . 5.270 5.336 4.749 5.395 0.125 10 0 "[ . 1 . 2]" 1
1285 1 46 ARG HG2 1 47 PRO HD2 . . 5.230 3.768 2.097 4.973 . 0 0 "[ . 1 . 2]" 1
1286 1 46 ARG HG2 1 47 PRO HD3 . . 5.390 4.284 2.213 5.374 . 0 0 "[ . 1 . 2]" 1
1287 1 46 ARG HG3 1 47 PRO HD2 . . 5.250 4.138 3.532 5.200 . 0 0 "[ . 1 . 2]" 1
1288 1 46 ARG HG3 1 47 PRO HD3 . . 5.240 4.902 3.398 5.334 0.094 17 0 "[ . 1 . 2]" 1
1289 1 47 PRO HA 1 48 VAL H . . 3.050 2.209 2.049 2.475 . 0 0 "[ . 1 . 2]" 1
1290 1 47 PRO HA 1 48 VAL HA . . 4.700 4.426 4.290 4.509 . 0 0 "[ . 1 . 2]" 1
1291 1 47 PRO HA 1 48 VAL QG . . 4.460 3.396 3.149 3.657 . 0 0 "[ . 1 . 2]" 1
1292 1 47 PRO HA 1 57 PHE QE . . 5.090 3.584 3.266 4.081 . 0 0 "[ . 1 . 2]" 1
1293 1 47 PRO HB3 1 48 VAL H . . 4.530 3.941 3.455 4.234 . 0 0 "[ . 1 . 2]" 1
1294 1 48 VAL H 1 48 VAL HB . . 3.340 2.762 2.363 3.427 0.087 15 0 "[ . 1 . 2]" 1
1295 1 48 VAL H 1 48 VAL QG . . 3.330 1.922 1.688 2.328 . 0 0 "[ . 1 . 2]" 1
1296 1 48 VAL H 1 57 PHE QD . . 4.670 4.062 3.367 4.729 0.059 18 0 "[ . 1 . 2]" 1
1297 1 48 VAL H 1 57 PHE QE . . 4.690 3.157 2.444 3.942 . 0 0 "[ . 1 . 2]" 1
1298 1 48 VAL HA 1 48 VAL QG . . 3.330 2.366 2.160 2.612 . 0 0 "[ . 1 . 2]" 1
1299 1 48 VAL HA 1 49 ASP H . . 3.060 2.299 2.181 2.467 . 0 0 "[ . 1 . 2]" 1
1300 1 48 VAL HA 1 49 ASP HB3 . . 5.500 5.241 4.423 5.807 0.307 19 0 "[ . 1 . 2]" 1
1301 1 48 VAL HA 1 52 SER H . . 5.310 4.911 4.492 5.369 0.059 15 0 "[ . 1 . 2]" 1
1302 1 48 VAL HA 1 57 PHE QD . . 5.500 3.368 2.910 3.744 . 0 0 "[ . 1 . 2]" 1
1303 1 48 VAL HB 1 49 ASP H . . 4.070 3.789 2.628 4.026 . 0 0 "[ . 1 . 2]" 1
1304 1 48 VAL HB 1 52 SER QB . . 5.040 3.900 2.849 4.569 . 0 0 "[ . 1 . 2]" 1
1305 1 48 VAL HB 1 104 SER HA . . 4.670 3.590 2.459 4.246 . 0 0 "[ . 1 . 2]" 1
1306 1 48 VAL HB 1 107 TYR HB2 . . 5.430 4.006 2.199 5.494 0.064 2 0 "[ . 1 . 2]" 1
1307 1 48 VAL HB 1 107 TYR HB3 . . 5.500 3.787 2.107 5.076 . 0 0 "[ . 1 . 2]" 1
1308 1 48 VAL HB 1 107 TYR QD . . 4.360 3.937 2.863 4.470 0.110 19 0 "[ . 1 . 2]" 1
1309 1 48 VAL QG 1 49 ASP H . . 3.540 2.360 2.013 2.556 . 0 0 "[ . 1 . 2]" 1
1310 1 48 VAL QG 1 49 ASP HA . . 4.680 3.425 2.993 3.843 . 0 0 "[ . 1 . 2]" 1
1311 1 48 VAL QG 1 50 GLN HA . . 5.500 4.698 4.338 5.092 . 0 0 "[ . 1 . 2]" 1
1312 1 48 VAL QG 1 52 SER H . . 5.070 4.052 3.731 4.611 . 0 0 "[ . 1 . 2]" 1
1313 1 48 VAL QG 1 52 SER QB . . 3.650 2.346 1.962 3.327 . 0 0 "[ . 1 . 2]" 1
1314 1 48 VAL QG 1 53 ASN H . . 5.500 4.138 3.709 4.984 . 0 0 "[ . 1 . 2]" 1
1315 1 48 VAL QG 1 57 PHE QD . . 4.460 2.766 2.166 3.323 . 0 0 "[ . 1 . 2]" 1
1316 1 48 VAL QG 1 57 PHE QE . . 3.650 2.328 2.085 2.623 . 0 0 "[ . 1 . 2]" 1
1317 1 48 VAL QG 1 57 PHE HZ . . 4.680 3.896 3.657 4.255 . 0 0 "[ . 1 . 2]" 1
1318 1 48 VAL QG 1 100 TYR QD . . 4.060 2.857 2.252 3.654 . 0 0 "[ . 1 . 2]" 1
1319 1 48 VAL QG 1 100 TYR QE . . 3.570 2.241 1.979 2.579 . 0 0 "[ . 1 . 2]" 1
1320 1 48 VAL QG 1 103 GLU HA . . 4.060 3.965 3.855 4.079 0.019 7 0 "[ . 1 . 2]" 1
1321 1 48 VAL QG 1 103 GLU HB2 . . 3.840 2.838 2.455 3.218 . 0 0 "[ . 1 . 2]" 1
1322 1 48 VAL QG 1 103 GLU HB3 . . 4.000 2.343 1.967 2.513 . 0 0 "[ . 1 . 2]" 1
1323 1 48 VAL QG 1 103 GLU HG3 . . 5.500 4.108 3.689 4.708 . 0 0 "[ . 1 . 2]" 1
1324 1 48 VAL QG 1 104 SER H . . 5.050 3.006 2.680 3.335 . 0 0 "[ . 1 . 2]" 1
1325 1 48 VAL QG 1 104 SER HA . . 3.770 1.991 1.879 2.178 . 0 0 "[ . 1 . 2]" 1
1326 1 48 VAL QG 1 104 SER QB . . 4.920 2.994 2.420 3.465 . 0 0 "[ . 1 . 2]" 1
1327 1 48 VAL QG 1 105 GLN H . . 5.500 4.511 4.313 4.695 . 0 0 "[ . 1 . 2]" 1
1328 1 48 VAL QG 1 106 ALA MB . . 5.500 4.228 3.762 4.554 . 0 0 "[ . 1 . 2]" 1
1329 1 48 VAL QG 1 107 TYR H . . 5.210 3.644 3.207 4.115 . 0 0 "[ . 1 . 2]" 1
1330 1 48 VAL QG 1 107 TYR HA . . 5.500 4.298 3.696 4.855 . 0 0 "[ . 1 . 2]" 1
1331 1 48 VAL QG 1 107 TYR HB2 . . 4.200 2.726 2.177 3.370 . 0 0 "[ . 1 . 2]" 1
1332 1 48 VAL QG 1 107 TYR HB3 . . 4.230 2.398 1.993 3.053 . 0 0 "[ . 1 . 2]" 1
1333 1 48 VAL QG 1 107 TYR QD . . 3.490 2.213 2.024 2.531 . 0 0 "[ . 1 . 2]" 1
1334 1 48 VAL QG 1 107 TYR QE . . 3.940 2.973 2.596 3.371 . 0 0 "[ . 1 . 2]" 1
1335 1 48 VAL QG 1 108 TYR H . . 5.500 4.236 3.896 4.589 . 0 0 "[ . 1 . 2]" 1
1336 1 48 VAL QG 1 108 TYR QD . . 4.830 4.488 4.302 4.680 . 0 0 "[ . 1 . 2]" 1
1337 1 48 VAL QG 1 108 TYR QE . . 5.500 3.998 3.616 4.259 . 0 0 "[ . 1 . 2]" 1
1338 1 49 ASP H 1 51 GLY H . . 4.390 4.103 3.640 4.454 0.064 10 0 "[ . 1 . 2]" 1
1339 1 49 ASP H 1 52 SER H . . 3.790 3.064 2.684 3.624 . 0 0 "[ . 1 . 2]" 1
1340 1 49 ASP H 1 52 SER QB . . 3.120 1.877 1.604 2.347 . 0 0 "[ . 1 . 2]" 1
1341 1 49 ASP H 1 57 PHE QD . . 5.500 5.405 4.924 5.585 0.085 5 0 "[ . 1 . 2]" 1
1342 1 49 ASP H 1 107 TYR QD . . 4.620 4.521 4.228 4.699 0.079 11 0 "[ . 1 . 2]" 1
1343 1 49 ASP HA 1 50 GLN H . . 3.380 2.549 2.364 2.705 . 0 0 "[ . 1 . 2]" 1
1344 1 49 ASP HA 1 50 GLN QB . . 4.720 4.351 3.905 4.765 0.045 20 0 "[ . 1 . 2]" 1
1345 1 49 ASP HA 1 51 GLY H . . 4.780 4.212 3.694 4.555 . 0 0 "[ . 1 . 2]" 1
1346 1 49 ASP HA 1 52 SER H . . 5.480 4.681 4.249 5.414 . 0 0 "[ . 1 . 2]" 1
1347 1 49 ASP HA 1 107 TYR QD . . 3.940 2.703 2.449 3.130 . 0 0 "[ . 1 . 2]" 1
1348 1 49 ASP HA 1 107 TYR QE . . 3.340 3.341 2.590 3.434 0.094 20 0 "[ . 1 . 2]" 1
1349 1 49 ASP HB2 1 50 GLN H . . 3.180 2.725 1.900 3.497 0.317 2 0 "[ . 1 . 2]" 1
1350 1 49 ASP HB2 1 50 GLN HA . . 4.570 4.820 4.402 5.423 0.853 11 4 "[ *- . * 1+ . 2]" 1
1351 1 49 ASP HB2 1 50 GLN QB . . 4.590 4.603 3.808 5.305 0.715 11 9 "[ ** - ** *+* . * 2]" 1
1352 1 49 ASP HB2 1 50 GLN QG . . 4.910 3.662 2.543 4.805 . 0 0 "[ . 1 . 2]" 1
1353 1 49 ASP HB2 1 51 GLY H . . 4.690 2.868 2.039 3.600 . 0 0 "[ . 1 . 2]" 1
1354 1 49 ASP HB2 1 52 SER H . . 5.500 3.853 2.294 5.080 . 0 0 "[ . 1 . 2]" 1
1355 1 49 ASP HB2 1 107 TYR QE . . 5.500 5.047 4.124 5.703 0.203 11 0 "[ . 1 . 2]" 1
1356 1 49 ASP HB3 1 50 GLN H . . 3.430 2.733 2.045 3.485 0.055 15 0 "[ . 1 . 2]" 1
1357 1 49 ASP HB3 1 50 GLN QB . . 5.200 4.685 3.913 5.314 0.114 4 0 "[ . 1 . 2]" 1
1358 1 49 ASP HB3 1 51 GLY H . . 5.070 3.260 1.808 4.613 . 0 0 "[ . 1 . 2]" 1
1359 1 49 ASP HB3 1 52 SER QB . . 4.890 4.565 3.838 5.329 0.439 3 0 "[ . 1 . 2]" 1
1360 1 49 ASP HB3 1 107 TYR QD . . 5.500 4.730 4.155 5.102 . 0 0 "[ . 1 . 2]" 1
1361 1 50 GLN H 1 50 GLN QB . . 2.990 2.308 2.108 2.582 . 0 0 "[ . 1 . 2]" 1
1362 1 50 GLN H 1 50 GLN QG . . 3.840 2.193 1.822 2.635 . 0 0 "[ . 1 . 2]" 1
1363 1 50 GLN H 1 51 GLY H . . 3.450 2.743 2.587 2.980 . 0 0 "[ . 1 . 2]" 1
1364 1 50 GLN H 1 51 GLY HA2 . . 5.500 5.396 5.250 5.576 0.076 17 0 "[ . 1 . 2]" 1
1365 1 50 GLN H 1 51 GLY HA3 . . 5.500 5.068 4.918 5.287 . 0 0 "[ . 1 . 2]" 1
1366 1 50 GLN H 1 52 SER H . . 5.110 4.243 3.964 4.827 . 0 0 "[ . 1 . 2]" 1
1367 1 50 GLN H 1 107 TYR QE . . 3.890 2.999 2.632 3.632 . 0 0 "[ . 1 . 2]" 1
1368 1 50 GLN HA 1 50 GLN QB . . 2.770 2.166 2.119 2.196 . 0 0 "[ . 1 . 2]" 1
1369 1 50 GLN HA 1 50 GLN QG . . 3.860 3.370 3.314 3.412 . 0 0 "[ . 1 . 2]" 1
1370 1 50 GLN HA 1 51 GLY H . . 3.350 3.414 3.333 3.437 0.087 11 0 "[ . 1 . 2]" 1
1371 1 50 GLN HA 1 51 GLY HA2 . . 4.560 4.618 4.569 4.637 0.077 3 0 "[ . 1 . 2]" 1
1372 1 50 GLN HA 1 52 SER H . . 4.240 3.822 3.353 4.309 0.069 14 0 "[ . 1 . 2]" 1
1373 1 50 GLN HA 1 107 TYR QE . . 4.180 3.285 2.764 3.824 . 0 0 "[ . 1 . 2]" 1
1374 1 50 GLN QB 1 51 GLY H . . 3.800 3.703 3.443 3.877 0.077 19 0 "[ . 1 . 2]" 1
1375 1 50 GLN QB 1 51 GLY HA2 . . 5.500 4.737 4.377 5.056 . 0 0 "[ . 1 . 2]" 1
1376 1 50 GLN QB 1 51 GLY HA3 . . 5.450 5.139 4.797 5.441 . 0 0 "[ . 1 . 2]" 1
1377 1 50 GLN QB 1 52 SER H . . 5.030 4.951 4.710 5.130 0.100 14 0 "[ . 1 . 2]" 1
1378 1 50 GLN QB 1 107 TYR QE . . 4.650 2.743 2.290 3.409 . 0 0 "[ . 1 . 2]" 1
1379 1 50 GLN HB3 1 107 TYR QE . . 3.910 2.784 2.317 3.527 . 0 0 "[ . 1 . 2]" 1
1380 1 50 GLN QG 1 51 GLY H . . 4.200 2.684 2.274 3.048 . 0 0 "[ . 1 . 2]" 1
1381 1 50 GLN QG 1 51 GLY HA2 . . 5.500 3.877 3.468 4.339 . 0 0 "[ . 1 . 2]" 1
1382 1 50 GLN QG 1 51 GLY HA3 . . 4.850 3.707 3.246 4.394 . 0 0 "[ . 1 . 2]" 1
1383 1 50 GLN QG 1 52 SER H . . 5.500 4.638 4.398 4.903 . 0 0 "[ . 1 . 2]" 1
1384 1 50 GLN QG 1 107 TYR QE . . 5.260 4.257 3.541 4.756 . 0 0 "[ . 1 . 2]" 1
1385 1 51 GLY H 1 52 SER H . . 3.120 2.452 1.975 3.168 0.048 2 0 "[ . 1 . 2]" 1
1386 1 51 GLY H 1 52 SER HA . . 5.260 4.896 4.539 5.235 . 0 0 "[ . 1 . 2]" 1
1387 1 51 GLY HA2 1 52 SER HA . . 5.500 4.696 4.362 4.862 . 0 0 "[ . 1 . 2]" 1
1388 1 52 SER H 1 52 SER QB . . 3.440 2.360 2.063 2.838 . 0 0 "[ . 1 . 2]" 1
1389 1 52 SER H 1 53 ASN H . . 4.550 4.458 4.212 4.626 0.076 14 0 "[ . 1 . 2]" 1
1390 1 52 SER HA 1 53 ASN H . . 2.910 2.537 2.326 2.727 . 0 0 "[ . 1 . 2]" 1
1391 1 52 SER HA 1 56 ASN QB . . 4.380 3.686 2.690 4.458 0.078 4 0 "[ . 1 . 2]" 1
1392 1 52 SER QB 1 53 ASN H . . 3.690 2.442 1.987 2.948 . 0 0 "[ . 1 . 2]" 1
1393 1 52 SER QB 1 53 ASN HA . . 3.750 3.684 3.376 3.764 0.014 15 0 "[ . 1 . 2]" 1
1394 1 52 SER QB 1 100 TYR QE . . 4.790 3.775 2.967 4.404 . 0 0 "[ . 1 . 2]" 1
1395 1 53 ASN H 1 53 ASN QB . . 3.510 3.269 2.771 3.499 . 0 0 "[ . 1 . 2]" 1
1396 1 53 ASN H 1 53 ASN QD . . 5.400 4.319 3.213 5.024 . 0 0 "[ . 1 . 2]" 1
1397 1 53 ASN H 1 100 TYR QE . . 4.660 4.483 3.740 4.763 0.103 3 0 "[ . 1 . 2]" 1
1398 1 53 ASN HA 1 54 GLN H . . 3.200 2.447 2.266 2.739 . 0 0 "[ . 1 . 2]" 1
1399 1 53 ASN HA 1 55 ASN H . . 4.740 4.634 4.422 4.816 0.076 7 0 "[ . 1 . 2]" 1
1400 1 53 ASN QB 1 54 GLN H . . 3.420 2.655 2.127 3.516 0.096 4 0 "[ . 1 . 2]" 1
1401 1 53 ASN QB 1 54 GLN HA . . 5.340 4.681 4.496 5.087 . 0 0 "[ . 1 . 2]" 1
1402 1 53 ASN QB 1 54 GLN HB2 . . 5.500 4.795 4.186 5.593 0.093 17 0 "[ . 1 . 2]" 1
1403 1 53 ASN QB 1 54 GLN HB3 . . 5.360 4.468 3.981 5.140 . 0 0 "[ . 1 . 2]" 1
1404 1 53 ASN QB 1 55 ASN H . . 4.090 3.190 2.790 3.784 . 0 0 "[ . 1 . 2]" 1
1405 1 53 ASN QB 1 55 ASN HB2 . . 4.430 4.487 4.181 4.528 0.098 17 0 "[ . 1 . 2]" 1
1406 1 53 ASN QB 1 55 ASN HB3 . . 3.900 3.740 3.137 3.977 0.077 20 0 "[ . 1 . 2]" 1
1407 1 53 ASN QB 1 55 ASN HD21 . . 5.500 5.341 4.214 5.599 0.099 12 0 "[ . 1 . 2]" 1
1408 1 53 ASN QD 1 55 ASN HB2 . . 5.360 3.159 2.339 4.794 . 0 0 "[ . 1 . 2]" 1
1409 1 53 ASN QD 1 55 ASN HB3 . . 5.500 2.137 1.885 3.540 . 0 0 "[ . 1 . 2]" 1
1410 1 53 ASN QD 1 55 ASN HD21 . . 4.610 3.240 2.860 4.007 . 0 0 "[ . 1 . 2]" 1
1411 1 53 ASN QD 1 56 ASN H . . 5.050 2.973 2.213 3.473 . 0 0 "[ . 1 . 2]" 1
1412 1 53 ASN QD 1 56 ASN HA . . 5.220 4.480 3.704 5.086 . 0 0 "[ . 1 . 2]" 1
1413 1 53 ASN QD 1 56 ASN QB . . 3.940 3.243 2.300 3.940 0.000 4 0 "[ . 1 . 2]" 1
1414 1 53 ASN QD 1 56 ASN HD21 . . 4.660 3.210 2.470 4.602 . 0 0 "[ . 1 . 2]" 1
1415 1 53 ASN QD 1 56 ASN HD22 . . 4.500 3.541 2.581 4.334 . 0 0 "[ . 1 . 2]" 1
1416 1 54 GLN H 1 54 GLN HB2 . . 3.510 2.438 2.249 2.577 . 0 0 "[ . 1 . 2]" 1
1417 1 54 GLN H 1 54 GLN HB3 . . 3.530 2.689 2.482 2.811 . 0 0 "[ . 1 . 2]" 1
1418 1 54 GLN H 1 54 GLN HG2 . . 4.780 4.539 4.441 4.599 . 0 0 "[ . 1 . 2]" 1
1419 1 54 GLN H 1 54 GLN HG3 . . 4.470 4.350 4.158 4.467 . 0 0 "[ . 1 . 2]" 1
1420 1 54 GLN H 1 55 ASN H . . 3.630 2.816 2.441 3.078 . 0 0 "[ . 1 . 2]" 1
1421 1 54 GLN H 1 55 ASN HA . . 5.500 5.421 5.097 5.563 0.063 4 0 "[ . 1 . 2]" 1
1422 1 54 GLN H 1 55 ASN HB2 . . 5.500 5.020 4.548 5.161 . 0 0 "[ . 1 . 2]" 1
1423 1 54 GLN H 1 56 ASN H . . 4.020 4.090 4.022 4.104 0.084 18 0 "[ . 1 . 2]" 1
1424 1 54 GLN H 1 56 ASN QB . . 5.290 5.265 4.643 5.375 0.085 5 0 "[ . 1 . 2]" 1
1425 1 54 GLN H 1 100 TYR QD . . 5.500 5.367 4.814 5.590 0.090 4 0 "[ . 1 . 2]" 1
1426 1 54 GLN H 1 100 TYR QE . . 3.980 3.790 3.405 4.065 0.085 4 0 "[ . 1 . 2]" 1
1427 1 54 GLN HA 1 54 GLN HG3 . . 4.090 2.363 2.211 2.465 . 0 0 "[ . 1 . 2]" 1
1428 1 54 GLN HA 1 56 ASN H . . 5.500 3.879 3.487 4.370 . 0 0 "[ . 1 . 2]" 1
1429 1 54 GLN HA 1 57 PHE H . . 5.010 3.320 2.978 3.785 . 0 0 "[ . 1 . 2]" 1
1430 1 54 GLN HA 1 57 PHE HB2 . . 4.930 3.518 3.135 4.243 . 0 0 "[ . 1 . 2]" 1
1431 1 54 GLN HA 1 57 PHE HB3 . . 4.840 2.578 2.294 2.980 . 0 0 "[ . 1 . 2]" 1
1432 1 54 GLN HA 1 57 PHE QD . . 5.460 4.448 4.011 4.661 . 0 0 "[ . 1 . 2]" 1
1433 1 54 GLN HA 1 58 VAL H . . 5.280 3.565 3.205 4.193 . 0 0 "[ . 1 . 2]" 1
1434 1 54 GLN HA 1 58 VAL QG . . 5.060 3.496 3.082 3.783 . 0 0 "[ . 1 . 2]" 1
1435 1 54 GLN HA 1 100 TYR QD . . 5.500 3.697 3.234 4.093 . 0 0 "[ . 1 . 2]" 1
1436 1 54 GLN HA 1 100 TYR QE . . 5.010 3.125 2.845 3.390 . 0 0 "[ . 1 . 2]" 1
1437 1 54 GLN HB2 1 55 ASN H . . 4.300 3.702 3.535 3.808 . 0 0 "[ . 1 . 2]" 1
1438 1 54 GLN HB2 1 100 TYR QD . . 4.930 3.835 3.060 4.436 . 0 0 "[ . 1 . 2]" 1
1439 1 54 GLN HB2 1 100 TYR QE . . 4.080 2.465 2.142 2.842 . 0 0 "[ . 1 . 2]" 1
1440 1 54 GLN HB3 1 55 ASN H . . 3.730 2.412 2.030 2.572 . 0 0 "[ . 1 . 2]" 1
1441 1 54 GLN HB3 1 55 ASN HB2 . . 5.500 4.060 3.756 4.296 . 0 0 "[ . 1 . 2]" 1
1442 1 54 GLN HB3 1 100 TYR QE . . 5.260 4.065 3.831 4.321 . 0 0 "[ . 1 . 2]" 1
1443 1 54 GLN QE 1 58 VAL QG . . 4.480 2.818 2.176 3.656 . 0 0 "[ . 1 . 2]" 1
1444 1 54 GLN QE 1 97 VAL HA . . 5.500 2.917 2.211 3.909 . 0 0 "[ . 1 . 2]" 1
1445 1 54 GLN QE 1 97 VAL HB . . 5.500 4.655 2.436 5.287 . 0 0 "[ . 1 . 2]" 1
1446 1 54 GLN QE 1 97 VAL QG . . 4.010 2.318 2.094 2.630 . 0 0 "[ . 1 . 2]" 1
1447 1 54 GLN QE 1 100 TYR QD . . 5.110 2.796 1.957 4.001 . 0 0 "[ . 1 . 2]" 1
1448 1 54 GLN QE 1 100 TYR QE . . 4.910 3.882 3.194 4.497 . 0 0 "[ . 1 . 2]" 1
1449 1 54 GLN HG2 1 55 ASN H . . 4.880 3.731 2.937 4.097 . 0 0 "[ . 1 . 2]" 1
1450 1 54 GLN HG2 1 55 ASN HA . . 5.190 3.916 3.373 4.289 . 0 0 "[ . 1 . 2]" 1
1451 1 54 GLN HG2 1 58 VAL QG . . 4.040 2.458 2.104 3.037 . 0 0 "[ . 1 . 2]" 1
1452 1 54 GLN HG2 1 97 VAL HA . . 5.470 4.859 3.592 5.535 0.065 15 0 "[ . 1 . 2]" 1
1453 1 54 GLN HG2 1 100 TYR QD . . 4.930 4.466 4.159 5.021 0.091 18 0 "[ . 1 . 2]" 1
1454 1 54 GLN HG2 1 100 TYR QE . . 5.500 4.562 4.237 4.909 . 0 0 "[ . 1 . 2]" 1
1455 1 54 GLN HG3 1 58 VAL QG . . 4.230 2.567 2.141 2.922 . 0 0 "[ . 1 . 2]" 1
1456 1 54 GLN HG3 1 97 VAL QG . . 4.390 4.045 3.521 4.254 . 0 0 "[ . 1 . 2]" 1
1457 1 54 GLN HG3 1 100 TYR QD . . 4.690 3.028 2.621 3.877 . 0 0 "[ . 1 . 2]" 1
1458 1 54 GLN HG3 1 100 TYR QE . . 4.010 3.390 2.946 4.100 0.090 15 0 "[ . 1 . 2]" 1
1459 1 55 ASN H 1 55 ASN HB2 . . 3.130 2.357 2.231 2.490 . 0 0 "[ . 1 . 2]" 1
1460 1 55 ASN H 1 55 ASN HB3 . . 3.110 2.653 2.536 2.769 . 0 0 "[ . 1 . 2]" 1
1461 1 55 ASN H 1 55 ASN HD21 . . 4.890 4.817 4.664 4.952 0.062 8 0 "[ . 1 . 2]" 1
1462 1 55 ASN H 1 56 ASN H . . 3.220 2.902 2.735 3.047 . 0 0 "[ . 1 . 2]" 1
1463 1 55 ASN H 1 58 VAL QG . . 5.500 4.712 3.425 5.141 . 0 0 "[ . 1 . 2]" 1
1464 1 55 ASN H 1 100 TYR QE . . 5.500 5.533 5.355 5.596 0.096 6 0 "[ . 1 . 2]" 1
1465 1 55 ASN HA 1 55 ASN HD22 . . 5.450 4.460 4.302 4.581 . 0 0 "[ . 1 . 2]" 1
1466 1 55 ASN HA 1 57 PHE H . . 5.500 4.090 3.713 4.490 . 0 0 "[ . 1 . 2]" 1
1467 1 55 ASN HA 1 58 VAL H . . 4.430 4.040 3.198 4.337 . 0 0 "[ . 1 . 2]" 1
1468 1 55 ASN HA 1 58 VAL HB . . 4.010 3.492 2.996 4.124 0.114 19 0 "[ . 1 . 2]" 1
1469 1 55 ASN HA 1 58 VAL QG . . 4.530 3.722 1.774 4.172 . 0 0 "[ . 1 . 2]" 1
1470 1 55 ASN HB2 1 56 ASN H . . 4.340 4.168 3.716 4.405 0.065 6 0 "[ . 1 . 2]" 1
1471 1 55 ASN HB3 1 55 ASN HD21 . . 3.660 2.238 2.156 2.408 . 0 0 "[ . 1 . 2]" 1
1472 1 55 ASN HB3 1 56 ASN H . . 3.520 3.216 2.535 3.599 0.079 11 0 "[ . 1 . 2]" 1
1473 1 55 ASN HD21 1 56 ASN H . . 5.390 4.604 3.522 5.268 . 0 0 "[ . 1 . 2]" 1
1474 1 55 ASN HD21 1 56 ASN HA . . 5.500 4.662 3.346 5.493 . 0 0 "[ . 1 . 2]" 1
1475 1 55 ASN HD21 1 56 ASN HD21 . . 3.780 3.101 2.412 3.835 0.055 14 0 "[ . 1 . 2]" 1
1476 1 55 ASN HD22 1 56 ASN HD21 . . 4.380 4.100 3.163 4.444 0.064 16 0 "[ . 1 . 2]" 1
1477 1 55 ASN HD22 1 59 HIS HE1 . . 4.360 3.318 2.477 4.439 0.079 12 0 "[ . 1 . 2]" 1
1478 1 56 ASN H 1 56 ASN QB . . 3.160 2.421 2.019 2.668 . 0 0 "[ . 1 . 2]" 1
1479 1 56 ASN H 1 56 ASN HD21 . . 4.740 3.369 2.695 4.308 . 0 0 "[ . 1 . 2]" 1
1480 1 56 ASN H 1 56 ASN HD22 . . 4.840 4.718 4.024 4.930 0.090 7 0 "[ . 1 . 2]" 1
1481 1 56 ASN H 1 57 PHE H . . 3.430 2.191 1.883 2.739 . 0 0 "[ . 1 . 2]" 1
1482 1 56 ASN H 1 57 PHE HA . . 5.480 4.852 4.599 5.341 . 0 0 "[ . 1 . 2]" 1
1483 1 56 ASN H 1 58 VAL H . . 5.190 3.989 3.627 4.444 . 0 0 "[ . 1 . 2]" 1
1484 1 56 ASN H 1 58 VAL QG . . 5.500 4.902 3.991 5.275 . 0 0 "[ . 1 . 2]" 1
1485 1 56 ASN H 1 59 HIS H . . 5.060 4.492 3.852 4.873 . 0 0 "[ . 1 . 2]" 1
1486 1 56 ASN HA 1 56 ASN HD22 . . 5.390 3.489 3.217 3.742 . 0 0 "[ . 1 . 2]" 1
1487 1 56 ASN HA 1 58 VAL H . . 5.120 4.804 4.517 5.079 . 0 0 "[ . 1 . 2]" 1
1488 1 56 ASN HA 1 59 HIS H . . 4.100 3.730 3.254 4.168 0.068 14 0 "[ . 1 . 2]" 1
1489 1 56 ASN HA 1 59 HIS HB2 . . 3.700 2.923 2.182 3.766 0.066 7 0 "[ . 1 . 2]" 1
1490 1 56 ASN QB 1 57 PHE H . . 3.890 3.291 2.749 3.703 . 0 0 "[ . 1 . 2]" 1
1491 1 56 ASN QB 1 58 VAL H . . 5.500 5.221 4.902 5.555 0.055 13 0 "[ . 1 . 2]" 1
1492 1 56 ASN HD21 1 57 PHE H . . 5.500 4.823 4.455 5.497 . 0 0 "[ . 1 . 2]" 1
1493 1 57 PHE H 1 57 PHE HB3 . . 3.630 2.470 2.372 2.628 . 0 0 "[ . 1 . 2]" 1
1494 1 57 PHE H 1 58 VAL H . . 3.790 2.263 1.769 2.522 . 0 0 "[ . 1 . 2]" 1
1495 1 57 PHE H 1 58 VAL HB . . 5.190 4.341 3.964 5.285 0.095 19 0 "[ . 1 . 2]" 1
1496 1 57 PHE H 1 58 VAL QG . . 5.160 3.901 3.282 4.268 . 0 0 "[ . 1 . 2]" 1
1497 1 57 PHE H 1 59 HIS H . . 3.580 3.603 3.225 3.669 0.089 4 0 "[ . 1 . 2]" 1
1498 1 57 PHE H 1 59 HIS HB2 . . 5.500 4.791 4.290 5.198 . 0 0 "[ . 1 . 2]" 1
1499 1 57 PHE H 1 60 ASP H . . 5.500 4.382 3.678 4.674 . 0 0 "[ . 1 . 2]" 1
1500 1 57 PHE HA 1 57 PHE QD . . 4.390 3.275 3.203 3.423 . 0 0 "[ . 1 . 2]" 1
1501 1 57 PHE HA 1 57 PHE QE . . 5.500 4.996 4.906 5.215 . 0 0 "[ . 1 . 2]" 1
1502 1 57 PHE HA 1 58 VAL HA . . 4.820 4.812 4.685 4.879 0.059 20 0 "[ . 1 . 2]" 1
1503 1 57 PHE HA 1 58 VAL QG . . 5.500 4.833 4.685 5.018 . 0 0 "[ . 1 . 2]" 1
1504 1 57 PHE HA 1 60 ASP H . . 4.760 3.875 3.581 4.155 . 0 0 "[ . 1 . 2]" 1
1505 1 57 PHE HA 1 60 ASP QB . . 4.210 3.436 2.879 4.111 . 0 0 "[ . 1 . 2]" 1
1506 1 57 PHE HA 1 61 CYS H . . 4.940 3.953 3.749 4.177 . 0 0 "[ . 1 . 2]" 1
1507 1 57 PHE HA 1 61 CYS HB3 . . 5.500 4.992 4.316 5.332 . 0 0 "[ . 1 . 2]" 1
1508 1 57 PHE HB2 1 58 VAL H . . 4.590 3.768 3.529 4.186 . 0 0 "[ . 1 . 2]" 1
1509 1 57 PHE HB2 1 100 TYR HB2 . . 4.830 4.920 4.067 5.582 0.752 3 1 "[ + . 1 . 2]" 1
1510 1 57 PHE HB2 1 100 TYR QE . . 3.780 3.265 2.863 3.797 0.017 14 0 "[ . 1 . 2]" 1
1511 1 57 PHE HB3 1 58 VAL H . . 4.140 2.422 2.193 3.025 . 0 0 "[ . 1 . 2]" 1
1512 1 57 PHE HB3 1 100 TYR QD . . 5.500 3.172 2.740 3.797 . 0 0 "[ . 1 . 2]" 1
1513 1 57 PHE HB3 1 100 TYR QE . . 4.180 3.586 3.178 4.186 0.006 4 0 "[ . 1 . 2]" 1
1514 1 57 PHE QD 1 58 VAL H . . 4.410 3.220 2.994 3.624 . 0 0 "[ . 1 . 2]" 1
1515 1 57 PHE QD 1 58 VAL HA . . 4.040 3.030 2.735 3.501 . 0 0 "[ . 1 . 2]" 1
1516 1 57 PHE QD 1 58 VAL QG . . 3.790 2.897 2.475 3.428 . 0 0 "[ . 1 . 2]" 1
1517 1 57 PHE QD 1 100 TYR H . . 5.500 4.452 4.105 4.829 . 0 0 "[ . 1 . 2]" 1
1518 1 57 PHE QD 1 100 TYR HB2 . . 4.450 2.815 2.343 3.259 . 0 0 "[ . 1 . 2]" 1
1519 1 57 PHE QD 1 100 TYR HB3 . . 4.550 4.319 3.928 4.602 0.052 10 0 "[ . 1 . 2]" 1
1520 1 57 PHE QD 1 100 TYR QD . . 4.190 2.854 2.704 2.946 . 0 0 "[ . 1 . 2]" 1
1521 1 57 PHE QD 1 100 TYR QE . . 3.370 3.428 3.229 3.478 0.108 3 0 "[ . 1 . 2]" 1
1522 1 57 PHE QE 1 58 VAL HA . . 5.080 4.780 4.401 5.096 0.016 19 0 "[ . 1 . 2]" 1
1523 1 57 PHE QE 1 58 VAL QG . . 4.430 4.176 3.742 4.454 0.024 14 0 "[ . 1 . 2]" 1
1524 1 57 PHE QE 1 96 CYS HA . . 4.270 3.403 3.012 4.278 0.008 3 0 "[ . 1 . 2]" 1
1525 1 57 PHE QE 1 99 GLN H . . 4.980 4.684 4.350 5.067 0.087 3 0 "[ . 1 . 2]" 1
1526 1 57 PHE QE 1 99 GLN HB2 . . 4.940 4.470 4.037 5.019 0.079 3 0 "[ . 1 . 2]" 1
1527 1 57 PHE QE 1 99 GLN HB3 . . 3.830 2.771 2.314 3.371 . 0 0 "[ . 1 . 2]" 1
1528 1 57 PHE QE 1 100 TYR H . . 3.960 3.028 2.806 3.246 . 0 0 "[ . 1 . 2]" 1
1529 1 57 PHE QE 1 100 TYR HB2 . . 3.990 2.769 2.368 3.157 . 0 0 "[ . 1 . 2]" 1
1530 1 57 PHE QE 1 100 TYR HB3 . . 4.310 4.142 3.817 4.366 0.056 9 0 "[ . 1 . 2]" 1
1531 1 57 PHE QE 1 100 TYR QD . . 4.520 3.200 2.956 3.361 . 0 0 "[ . 1 . 2]" 1
1532 1 57 PHE QE 1 100 TYR QE . . 5.140 4.597 4.421 4.810 . 0 0 "[ . 1 . 2]" 1
1533 1 57 PHE QE 1 103 GLU HB3 . . 4.700 3.202 2.931 3.553 . 0 0 "[ . 1 . 2]" 1
1534 1 57 PHE QE 1 103 GLU HG2 . . 5.470 4.651 3.987 5.002 . 0 0 "[ . 1 . 2]" 1
1535 1 57 PHE QE 1 103 GLU HG3 . . 4.950 3.541 3.111 4.493 . 0 0 "[ . 1 . 2]" 1
1536 1 57 PHE HZ 1 99 GLN HB3 . . 5.440 3.742 3.314 4.695 . 0 0 "[ . 1 . 2]" 1
1537 1 57 PHE HZ 1 99 GLN HG2 . . 5.500 4.071 3.519 4.614 . 0 0 "[ . 1 . 2]" 1
1538 1 57 PHE HZ 1 99 GLN HG3 . . 5.500 2.915 2.379 3.529 . 0 0 "[ . 1 . 2]" 1
1539 1 57 PHE HZ 1 100 TYR H . . 5.120 4.139 3.641 4.962 . 0 0 "[ . 1 . 2]" 1
1540 1 57 PHE HZ 1 100 TYR HB2 . . 4.980 3.986 3.238 4.466 . 0 0 "[ . 1 . 2]" 1
1541 1 57 PHE HZ 1 103 GLU H . . 5.150 4.464 4.263 4.768 . 0 0 "[ . 1 . 2]" 1
1542 1 57 PHE HZ 1 103 GLU HA . . 5.500 5.543 5.168 5.585 0.085 18 0 "[ . 1 . 2]" 1
1543 1 57 PHE HZ 1 103 GLU HG2 . . 3.960 3.758 2.892 4.372 0.412 20 0 "[ . 1 . 2]" 1
1544 1 57 PHE HZ 1 103 GLU HG3 . . 4.500 2.602 2.300 3.333 . 0 0 "[ . 1 . 2]" 1
1545 1 58 VAL H 1 58 VAL HB . . 3.460 2.514 2.270 3.527 0.067 7 0 "[ . 1 . 2]" 1
1546 1 58 VAL H 1 58 VAL QG . . 3.410 2.235 2.063 2.449 . 0 0 "[ . 1 . 2]" 1
1547 1 58 VAL H 1 59 HIS H . . 3.630 2.843 2.569 3.193 . 0 0 "[ . 1 . 2]" 1
1548 1 58 VAL H 1 60 ASP H . . 5.420 4.380 4.035 4.650 . 0 0 "[ . 1 . 2]" 1
1549 1 58 VAL H 1 61 CYS HB3 . . 5.500 4.707 4.401 5.189 . 0 0 "[ . 1 . 2]" 1
1550 1 58 VAL HA 1 58 VAL QG . . 3.200 2.154 2.128 2.200 . 0 0 "[ . 1 . 2]" 1
1551 1 58 VAL HA 1 59 HIS HA . . 4.920 4.705 4.601 4.838 . 0 0 "[ . 1 . 2]" 1
1552 1 58 VAL HA 1 60 ASP H . . 5.160 4.636 4.146 4.923 . 0 0 "[ . 1 . 2]" 1
1553 1 58 VAL HA 1 61 CYS H . . 4.260 3.570 3.388 3.695 . 0 0 "[ . 1 . 2]" 1
1554 1 58 VAL HA 1 61 CYS HA . . 5.500 5.313 5.107 5.529 0.029 9 0 "[ . 1 . 2]" 1
1555 1 58 VAL HA 1 61 CYS HB2 . . 4.280 3.642 3.334 4.373 0.093 15 0 "[ . 1 . 2]" 1
1556 1 58 VAL HA 1 61 CYS HB3 . . 3.930 2.419 2.136 3.477 . 0 0 "[ . 1 . 2]" 1
1557 1 58 VAL HA 1 62 VAL H . . 4.980 3.947 3.736 4.284 . 0 0 "[ . 1 . 2]" 1
1558 1 58 VAL HA 1 62 VAL HB . . 5.500 5.261 4.783 5.558 0.058 16 0 "[ . 1 . 2]" 1
1559 1 58 VAL HA 1 96 CYS HB3 . . 3.760 2.578 2.244 3.729 . 0 0 "[ . 1 . 2]" 1
1560 1 58 VAL HB 1 59 HIS H . . 3.640 2.708 2.484 3.561 . 0 0 "[ . 1 . 2]" 1
1561 1 58 VAL HB 1 59 HIS HA . . 5.440 4.426 4.138 4.661 . 0 0 "[ . 1 . 2]" 1
1562 1 58 VAL HB 1 59 HIS HB2 . . 5.500 4.864 4.406 5.574 0.074 19 0 "[ . 1 . 2]" 1
1563 1 58 VAL HB 1 59 HIS HD2 . . 4.660 4.158 3.058 4.740 0.080 5 0 "[ . 1 . 2]" 1
1564 1 58 VAL HB 1 60 ASP H . . 5.500 5.250 4.923 5.568 0.068 19 0 "[ . 1 . 2]" 1
1565 1 58 VAL QG 1 59 HIS H . . 4.050 3.043 2.386 3.249 . 0 0 "[ . 1 . 2]" 1
1566 1 58 VAL QG 1 59 HIS HA . . 4.200 3.295 2.931 3.867 . 0 0 "[ . 1 . 2]" 1
1567 1 58 VAL QG 1 59 HIS HB2 . . 4.810 4.576 4.016 4.713 . 0 0 "[ . 1 . 2]" 1
1568 1 58 VAL QG 1 59 HIS HB3 . . 5.500 5.078 4.780 5.323 . 0 0 "[ . 1 . 2]" 1
1569 1 58 VAL QG 1 59 HIS HD2 . . 3.890 2.940 2.286 3.733 . 0 0 "[ . 1 . 2]" 1
1570 1 58 VAL QG 1 93 GLU HG2 . . 3.870 2.770 1.989 3.732 . 0 0 "[ . 1 . 2]" 1
1571 1 58 VAL QG 1 93 GLU HG3 . . 3.810 2.860 2.070 3.751 . 0 0 "[ . 1 . 2]" 1
1572 1 58 VAL QG 1 96 CYS HA . . 4.770 4.323 3.662 4.697 . 0 0 "[ . 1 . 2]" 1
1573 1 58 VAL QG 1 96 CYS HB2 . . 4.450 3.047 1.937 4.033 . 0 0 "[ . 1 . 2]" 1
1574 1 58 VAL QG 1 96 CYS HB3 . . 4.000 2.560 2.109 2.944 . 0 0 "[ . 1 . 2]" 1
1575 1 58 VAL QG 1 97 VAL H . . 4.360 3.076 2.416 3.540 . 0 0 "[ . 1 . 2]" 1
1576 1 58 VAL QG 1 97 VAL HA . . 3.540 2.695 2.380 3.038 . 0 0 "[ . 1 . 2]" 1
1577 1 58 VAL QG 1 97 VAL QG . . 3.940 2.089 1.865 2.295 . 0 0 "[ . 1 . 2]" 1
1578 1 58 VAL QG 1 100 TYR H . . 5.280 4.463 3.956 4.984 . 0 0 "[ . 1 . 2]" 1
1579 1 58 VAL QG 1 100 TYR HB2 . . 4.680 3.380 2.731 4.145 . 0 0 "[ . 1 . 2]" 1
1580 1 58 VAL QG 1 100 TYR QD . . 4.300 3.985 3.621 4.351 0.051 15 0 "[ . 1 . 2]" 1
1581 1 58 VAL QG 1 100 TYR QE . . 5.500 4.817 4.449 5.146 . 0 0 "[ . 1 . 2]" 1
1582 1 59 HIS H 1 59 HIS HB2 . . 3.200 2.345 2.113 2.497 . 0 0 "[ . 1 . 2]" 1
1583 1 59 HIS H 1 59 HIS HD2 . . 4.090 3.500 2.595 4.141 0.051 5 0 "[ . 1 . 2]" 1
1584 1 59 HIS H 1 60 ASP H . . 3.670 2.875 2.761 3.047 . 0 0 "[ . 1 . 2]" 1
1585 1 59 HIS H 1 60 ASP QB . . 5.460 4.718 4.437 5.046 . 0 0 "[ . 1 . 2]" 1
1586 1 59 HIS HA 1 59 HIS HD2 . . 3.390 2.242 2.105 2.590 . 0 0 "[ . 1 . 2]" 1
1587 1 59 HIS HA 1 62 VAL H . . 4.400 3.370 3.054 3.659 . 0 0 "[ . 1 . 2]" 1
1588 1 59 HIS HA 1 62 VAL HB . . 3.850 2.675 2.224 3.188 . 0 0 "[ . 1 . 2]" 1
1589 1 59 HIS HA 1 62 VAL MG1 . . 4.810 4.027 3.646 4.498 . 0 0 "[ . 1 . 2]" 1
1590 1 59 HIS HA 1 62 VAL MG2 . . 4.250 3.446 3.146 3.813 . 0 0 "[ . 1 . 2]" 1
1591 1 59 HIS HA 1 63 ASN H . . 4.690 4.473 4.027 4.752 0.062 10 0 "[ . 1 . 2]" 1
1592 1 59 HIS HB2 1 60 ASP H . . 3.600 2.902 2.478 3.164 . 0 0 "[ . 1 . 2]" 1
1593 1 59 HIS HB3 1 60 ASP H . . 3.970 3.509 2.854 3.837 . 0 0 "[ . 1 . 2]" 1
1594 1 59 HIS HD2 1 60 ASP H . . 5.500 5.370 5.010 5.554 0.054 17 0 "[ . 1 . 2]" 1
1595 1 60 ASP H 1 60 ASP QB . . 3.270 2.231 2.054 2.569 . 0 0 "[ . 1 . 2]" 1
1596 1 60 ASP H 1 61 CYS H . . 3.370 2.546 2.376 2.783 . 0 0 "[ . 1 . 2]" 1
1597 1 60 ASP H 1 62 VAL H . . 4.870 4.139 3.912 4.362 . 0 0 "[ . 1 . 2]" 1
1598 1 60 ASP H 1 62 VAL MG2 . . 5.500 5.389 5.037 5.580 0.080 11 0 "[ . 1 . 2]" 1
1599 1 60 ASP H 1 63 ASN H . . 4.990 4.752 4.549 4.997 0.007 15 0 "[ . 1 . 2]" 1
1600 1 60 ASP H 1 63 ASN HB3 . . 5.500 5.141 4.865 5.514 0.014 15 0 "[ . 1 . 2]" 1
1601 1 60 ASP HA 1 62 VAL H . . 5.500 4.369 4.111 4.607 . 0 0 "[ . 1 . 2]" 1
1602 1 60 ASP HA 1 63 ASN H . . 3.940 3.210 2.799 3.571 . 0 0 "[ . 1 . 2]" 1
1603 1 60 ASP HA 1 63 ASN HB2 . . 3.670 3.612 3.103 3.758 0.088 17 0 "[ . 1 . 2]" 1
1604 1 60 ASP HA 1 63 ASN HB3 . . 3.640 2.482 2.058 2.964 . 0 0 "[ . 1 . 2]" 1
1605 1 60 ASP HA 1 63 ASN HD21 . . 4.840 3.515 2.840 4.144 . 0 0 "[ . 1 . 2]" 1
1606 1 60 ASP HA 1 63 ASN HD22 . . 5.500 5.151 4.557 5.581 0.081 4 0 "[ . 1 . 2]" 1
1607 1 60 ASP HA 1 64 ILE H . . 4.530 3.759 3.404 3.927 . 0 0 "[ . 1 . 2]" 1
1608 1 60 ASP HA 1 64 ILE HB . . 5.340 5.200 4.793 5.411 0.071 9 0 "[ . 1 . 2]" 1
1609 1 60 ASP HA 1 64 ILE MD . . 5.500 4.949 4.549 5.330 . 0 0 "[ . 1 . 2]" 1
1610 1 60 ASP HA 1 64 ILE QG . . 5.300 3.724 3.390 4.116 . 0 0 "[ . 1 . 2]" 1
1611 1 60 ASP QB 1 61 CYS H . . 3.790 2.844 2.510 3.461 . 0 0 "[ . 1 . 2]" 1
1612 1 60 ASP QB 1 62 VAL H . . 5.500 4.889 4.542 5.092 . 0 0 "[ . 1 . 2]" 1
1613 1 60 ASP QB 1 64 ILE HB . . 4.870 4.682 4.045 4.807 . 0 0 "[ . 1 . 2]" 1
1614 1 60 ASP QB 1 64 ILE MD . . 5.500 4.647 4.049 5.173 . 0 0 "[ . 1 . 2]" 1
1615 1 60 ASP QB 1 64 ILE QG . . 4.750 3.449 2.994 3.921 . 0 0 "[ . 1 . 2]" 1
1616 1 61 CYS H 1 61 CYS HB2 . . 3.570 2.595 2.350 3.561 . 0 0 "[ . 1 . 2]" 1
1617 1 61 CYS H 1 61 CYS HB3 . . 3.540 2.334 2.190 2.591 . 0 0 "[ . 1 . 2]" 1
1618 1 61 CYS H 1 62 VAL H . . 3.820 2.788 2.613 2.964 . 0 0 "[ . 1 . 2]" 1
1619 1 61 CYS H 1 62 VAL MG2 . . 5.050 4.410 4.190 4.647 . 0 0 "[ . 1 . 2]" 1
1620 1 61 CYS H 1 63 ASN H . . 5.110 3.948 3.621 4.261 . 0 0 "[ . 1 . 2]" 1
1621 1 61 CYS H 1 63 ASN HB3 . . 5.500 5.064 4.666 5.318 . 0 0 "[ . 1 . 2]" 1
1622 1 61 CYS HA 1 62 VAL H . . 3.530 3.570 3.511 3.603 0.073 1 0 "[ . 1 . 2]" 1
1623 1 61 CYS HA 1 64 ILE HB . . 4.690 2.744 2.402 2.944 . 0 0 "[ . 1 . 2]" 1
1624 1 61 CYS HA 1 65 THR H . . 3.400 3.417 3.138 3.482 0.082 17 0 "[ . 1 . 2]" 1
1625 1 61 CYS HB2 1 62 VAL H . . 4.580 4.034 3.888 4.238 . 0 0 "[ . 1 . 2]" 1
1626 1 61 CYS HB3 1 62 VAL H . . 4.160 2.818 2.541 3.912 . 0 0 "[ . 1 . 2]" 1
1627 1 61 CYS HB3 1 62 VAL HA . . 5.430 4.718 4.486 5.510 0.080 15 0 "[ . 1 . 2]" 1
1628 1 61 CYS HB3 1 62 VAL MG2 . . 4.660 3.422 2.979 4.718 0.058 15 0 "[ . 1 . 2]" 1
1629 1 62 VAL H 1 62 VAL HB . . 3.380 2.302 2.213 2.394 . 0 0 "[ . 1 . 2]" 1
1630 1 62 VAL H 1 62 VAL MG1 . . 3.920 3.709 3.637 3.776 . 0 0 "[ . 1 . 2]" 1
1631 1 62 VAL H 1 62 VAL MG2 . . 3.190 2.343 2.243 2.570 . 0 0 "[ . 1 . 2]" 1
1632 1 62 VAL H 1 63 ASN H . . 3.660 2.628 2.478 2.725 . 0 0 "[ . 1 . 2]" 1
1633 1 62 VAL H 1 63 ASN HA . . 5.160 5.218 5.117 5.238 0.078 4 0 "[ . 1 . 2]" 1
1634 1 62 VAL H 1 63 ASN HB2 . . 5.400 5.293 5.004 5.469 0.069 3 0 "[ . 1 . 2]" 1
1635 1 62 VAL H 1 63 ASN HB3 . . 4.970 4.695 4.514 4.852 . 0 0 "[ . 1 . 2]" 1
1636 1 62 VAL H 1 66 ILE MD . . 5.500 5.583 5.473 5.612 0.112 14 0 "[ . 1 . 2]" 1
1637 1 62 VAL H 1 92 VAL QG . . 5.020 3.731 3.412 3.944 . 0 0 "[ . 1 . 2]" 1
1638 1 62 VAL HA 1 62 VAL MG1 . . 3.170 2.504 2.417 2.572 . 0 0 "[ . 1 . 2]" 1
1639 1 62 VAL HA 1 62 VAL MG2 . . 3.550 2.343 2.296 2.390 . 0 0 "[ . 1 . 2]" 1
1640 1 62 VAL HA 1 63 ASN HA . . 5.500 4.607 4.429 4.768 . 0 0 "[ . 1 . 2]" 1
1641 1 62 VAL HA 1 64 ILE H . . 5.500 4.907 4.574 5.178 . 0 0 "[ . 1 . 2]" 1
1642 1 62 VAL HA 1 65 THR H . . 4.630 4.014 3.698 4.287 . 0 0 "[ . 1 . 2]" 1
1643 1 62 VAL HA 1 65 THR HB . . 4.110 3.245 2.947 3.607 . 0 0 "[ . 1 . 2]" 1
1644 1 62 VAL HA 1 65 THR HG1 . . 4.850 3.788 3.443 4.253 . 0 0 "[ . 1 . 2]" 1
1645 1 62 VAL HA 1 65 THR MG . . 4.500 4.490 4.260 4.626 0.126 10 0 "[ . 1 . 2]" 1
1646 1 62 VAL HA 1 66 ILE H . . 4.760 3.894 3.656 4.144 . 0 0 "[ . 1 . 2]" 1
1647 1 62 VAL HA 1 66 ILE MD . . 5.030 3.525 3.294 3.785 . 0 0 "[ . 1 . 2]" 1
1648 1 62 VAL HA 1 92 VAL QG . . 2.990 2.021 1.888 2.176 . 0 0 "[ . 1 . 2]" 1
1649 1 62 VAL HB 1 63 ASN H . . 3.450 3.279 2.881 3.519 0.069 5 0 "[ . 1 . 2]" 1
1650 1 62 VAL MG1 1 63 ASN H . . 3.830 3.807 3.550 3.935 0.105 5 0 "[ . 1 . 2]" 1
1651 1 62 VAL MG1 1 63 ASN HA . . 3.860 3.748 3.368 3.968 0.108 5 0 "[ . 1 . 2]" 1
1652 1 62 VAL MG1 1 63 ASN HB2 . . 5.390 4.631 4.312 4.842 . 0 0 "[ . 1 . 2]" 1
1653 1 62 VAL MG1 1 63 ASN HB3 . . 5.240 5.226 4.824 5.343 0.103 18 0 "[ . 1 . 2]" 1
1654 1 62 VAL MG1 1 65 THR HB . . 5.100 4.845 4.307 5.196 0.096 12 0 "[ . 1 . 2]" 1
1655 1 62 VAL MG1 1 65 THR MG . . 5.430 5.384 4.951 5.558 0.128 5 0 "[ . 1 . 2]" 1
1656 1 62 VAL MG1 1 66 ILE H . . 5.050 4.578 4.037 5.021 . 0 0 "[ . 1 . 2]" 1
1657 1 62 VAL MG1 1 66 ILE MD . . 3.020 2.215 1.931 2.476 . 0 0 "[ . 1 . 2]" 1
1658 1 62 VAL MG1 1 66 ILE HG13 . . 4.330 3.490 3.014 4.310 . 0 0 "[ . 1 . 2]" 1
1659 1 62 VAL MG1 1 89 GLU HA . . 3.950 2.750 2.446 3.050 . 0 0 "[ . 1 . 2]" 1
1660 1 62 VAL MG1 1 89 GLU HB2 . . 4.890 4.702 4.201 5.012 0.122 17 0 "[ . 1 . 2]" 1
1661 1 62 VAL MG1 1 89 GLU HB3 . . 5.180 3.645 2.971 4.398 . 0 0 "[ . 1 . 2]" 1
1662 1 62 VAL MG1 1 89 GLU HG2 . . 4.490 2.929 2.225 3.423 . 0 0 "[ . 1 . 2]" 1
1663 1 62 VAL MG1 1 92 VAL H . . 5.500 5.117 4.719 5.401 . 0 0 "[ . 1 . 2]" 1
1664 1 62 VAL MG1 1 92 VAL QG . . 3.440 3.086 2.352 3.420 . 0 0 "[ . 1 . 2]" 1
1665 1 62 VAL MG1 1 93 GLU H . . 5.450 4.065 3.714 4.457 . 0 0 "[ . 1 . 2]" 1
1666 1 62 VAL MG2 1 63 ASN H . . 4.170 4.233 4.099 4.281 0.111 9 0 "[ . 1 . 2]" 1
1667 1 62 VAL MG2 1 65 THR MG . . 5.070 5.139 4.984 5.203 0.133 20 0 "[ . 1 . 2]" 1
1668 1 62 VAL MG2 1 66 ILE MD . . 3.990 3.871 3.628 4.041 0.051 5 0 "[ . 1 . 2]" 1
1669 1 62 VAL MG2 1 89 GLU HA . . 5.190 3.762 3.168 4.206 . 0 0 "[ . 1 . 2]" 1
1670 1 62 VAL MG2 1 89 GLU HB3 . . 5.500 4.817 3.928 5.583 0.083 17 0 "[ . 1 . 2]" 1
1671 1 62 VAL MG2 1 89 GLU HG2 . . 5.500 4.830 4.021 5.314 . 0 0 "[ . 1 . 2]" 1
1672 1 62 VAL MG2 1 90 ARG HA . . 5.500 5.157 4.872 5.462 . 0 0 "[ . 1 . 2]" 1
1673 1 62 VAL MG2 1 92 VAL H . . 5.500 4.524 4.291 4.858 . 0 0 "[ . 1 . 2]" 1
1674 1 62 VAL MG2 1 92 VAL QG . . 3.110 2.180 1.979 2.348 . 0 0 "[ . 1 . 2]" 1
1675 1 62 VAL MG2 1 93 GLU H . . 3.920 2.818 2.591 3.003 . 0 0 "[ . 1 . 2]" 1
1676 1 62 VAL MG2 1 93 GLU HA . . 2.820 2.310 2.052 2.619 . 0 0 "[ . 1 . 2]" 1
1677 1 62 VAL MG2 1 93 GLU HB2 . . 4.310 2.739 2.293 4.000 . 0 0 "[ . 1 . 2]" 1
1678 1 62 VAL MG2 1 93 GLU HB3 . . 4.690 3.909 3.625 4.352 . 0 0 "[ . 1 . 2]" 1
1679 1 62 VAL MG2 1 94 GLN H . . 5.340 4.834 4.604 5.050 . 0 0 "[ . 1 . 2]" 1
1680 1 62 VAL MG2 1 96 CYS HB3 . . 4.240 4.084 3.615 4.667 0.427 6 0 "[ . 1 . 2]" 1
1681 1 63 ASN H 1 63 ASN HB2 . . 3.070 2.941 2.544 3.146 0.076 5 0 "[ . 1 . 2]" 1
1682 1 63 ASN H 1 63 ASN HB3 . . 3.220 2.281 2.139 2.354 . 0 0 "[ . 1 . 2]" 1
1683 1 63 ASN H 1 63 ASN HD22 . . 5.500 5.561 5.417 5.594 0.094 15 0 "[ . 1 . 2]" 1
1684 1 63 ASN H 1 64 ILE H . . 3.720 2.428 2.300 2.555 . 0 0 "[ . 1 . 2]" 1
1685 1 63 ASN H 1 64 ILE HB . . 4.990 4.405 4.356 4.438 . 0 0 "[ . 1 . 2]" 1
1686 1 63 ASN H 1 64 ILE MD . . 5.500 5.331 5.123 5.510 0.010 13 0 "[ . 1 . 2]" 1
1687 1 63 ASN H 1 64 ILE QG . . 5.500 4.159 3.882 4.416 . 0 0 "[ . 1 . 2]" 1
1688 1 63 ASN H 1 64 ILE MG . . 5.500 5.599 5.560 5.611 0.111 5 0 "[ . 1 . 2]" 1
1689 1 63 ASN H 1 65 THR H . . 5.190 4.010 3.827 4.220 . 0 0 "[ . 1 . 2]" 1
1690 1 63 ASN H 1 66 ILE MD . . 5.500 5.102 4.904 5.433 . 0 0 "[ . 1 . 2]" 1
1691 1 63 ASN H 1 92 VAL QG . . 5.500 4.669 4.416 4.948 . 0 0 "[ . 1 . 2]" 1
1692 1 63 ASN HA 1 63 ASN HB3 . . 3.020 3.060 3.020 3.086 0.066 12 0 "[ . 1 . 2]" 1
1693 1 63 ASN HA 1 63 ASN HD21 . . 4.850 4.524 4.152 4.730 . 0 0 "[ . 1 . 2]" 1
1694 1 63 ASN HA 1 63 ASN HD22 . . 5.170 4.844 4.594 5.136 . 0 0 "[ . 1 . 2]" 1
1695 1 63 ASN HA 1 64 ILE HA . . 5.500 4.772 4.686 4.878 . 0 0 "[ . 1 . 2]" 1
1696 1 63 ASN HA 1 66 ILE H . . 5.090 3.724 3.461 4.129 . 0 0 "[ . 1 . 2]" 1
1697 1 63 ASN HA 1 66 ILE HB . . 4.170 2.821 2.642 3.294 . 0 0 "[ . 1 . 2]" 1
1698 1 63 ASN HA 1 66 ILE MD . . 4.710 3.910 3.601 4.570 . 0 0 "[ . 1 . 2]" 1
1699 1 63 ASN HA 1 66 ILE HG12 . . 5.500 5.588 5.572 5.605 0.105 5 0 "[ . 1 . 2]" 1
1700 1 63 ASN HA 1 66 ILE MG . . 5.390 4.049 3.542 4.742 . 0 0 "[ . 1 . 2]" 1
1701 1 63 ASN HB2 1 64 ILE H . . 4.470 3.818 3.603 3.939 . 0 0 "[ . 1 . 2]" 1
1702 1 63 ASN HB2 1 64 ILE HA . . 5.500 5.462 5.347 5.573 0.073 14 0 "[ . 1 . 2]" 1
1703 1 63 ASN HB2 1 64 ILE MD . . 5.140 5.236 5.092 5.261 0.121 2 0 "[ . 1 . 2]" 1
1704 1 63 ASN HB2 1 64 ILE QG . . 4.880 4.782 4.368 4.961 0.081 1 0 "[ . 1 . 2]" 1
1705 1 63 ASN HB2 1 67 LYS HB2 . . 5.500 5.551 5.360 5.601 0.101 17 0 "[ . 1 . 2]" 1
1706 1 63 ASN HB3 1 63 ASN HD21 . . 3.100 2.218 2.136 2.288 . 0 0 "[ . 1 . 2]" 1
1707 1 63 ASN HB3 1 64 ILE H . . 3.620 2.427 2.162 2.639 . 0 0 "[ . 1 . 2]" 1
1708 1 63 ASN HB3 1 64 ILE HA . . 5.010 4.400 4.051 4.814 . 0 0 "[ . 1 . 2]" 1
1709 1 63 ASN HB3 1 64 ILE HB . . 5.500 4.629 4.282 4.878 . 0 0 "[ . 1 . 2]" 1
1710 1 63 ASN HB3 1 64 ILE MD . . 5.260 4.145 3.888 4.443 . 0 0 "[ . 1 . 2]" 1
1711 1 63 ASN HB3 1 64 ILE QG . . 4.750 3.236 2.733 3.516 . 0 0 "[ . 1 . 2]" 1
1712 1 63 ASN HB3 1 65 THR H . . 5.500 5.122 4.917 5.275 . 0 0 "[ . 1 . 2]" 1
1713 1 63 ASN HD21 1 64 ILE HA . . 5.500 3.891 2.719 4.543 . 0 0 "[ . 1 . 2]" 1
1714 1 63 ASN HD21 1 64 ILE MD . . 4.890 2.778 2.354 3.247 . 0 0 "[ . 1 . 2]" 1
1715 1 63 ASN HD21 1 64 ILE QG . . 5.490 2.604 1.732 3.145 . 0 0 "[ . 1 . 2]" 1
1716 1 63 ASN HD21 1 64 ILE MG . . 5.450 5.026 4.078 5.517 0.067 15 0 "[ . 1 . 2]" 1
1717 1 63 ASN HD22 1 64 ILE MD . . 5.500 2.923 2.557 3.870 . 0 0 "[ . 1 . 2]" 1
1718 1 63 ASN HD22 1 64 ILE QG . . 5.500 3.761 3.186 4.423 . 0 0 "[ . 1 . 2]" 1
1719 1 63 ASN HD22 1 67 LYS QD . . 5.500 4.020 2.708 5.582 0.082 15 0 "[ . 1 . 2]" 1
1720 1 63 ASN HD22 1 67 LYS QE . . 4.990 3.673 2.222 5.036 0.046 12 0 "[ . 1 . 2]" 1
1721 1 64 ILE H 1 64 ILE HB . . 3.180 2.375 2.252 2.483 . 0 0 "[ . 1 . 2]" 1
1722 1 64 ILE H 1 64 ILE MD . . 4.190 3.463 3.287 3.730 . 0 0 "[ . 1 . 2]" 1
1723 1 64 ILE H 1 64 ILE QG . . 3.630 2.242 2.009 2.433 . 0 0 "[ . 1 . 2]" 1
1724 1 64 ILE H 1 64 ILE MG . . 3.720 3.731 3.666 3.789 0.069 18 0 "[ . 1 . 2]" 1
1725 1 64 ILE H 1 65 THR H . . 3.370 2.907 2.751 3.025 . 0 0 "[ . 1 . 2]" 1
1726 1 64 ILE H 1 65 THR HG1 . . 5.010 4.599 4.389 4.989 . 0 0 "[ . 1 . 2]" 1
1727 1 64 ILE HA 1 64 ILE MD . . 3.220 2.133 2.016 2.266 . 0 0 "[ . 1 . 2]" 1
1728 1 64 ILE HA 1 64 ILE QG . . 4.010 2.825 2.641 2.928 . 0 0 "[ . 1 . 2]" 1
1729 1 64 ILE HA 1 64 ILE MG . . 3.600 2.495 2.426 2.605 . 0 0 "[ . 1 . 2]" 1
1730 1 64 ILE HA 1 67 LYS H . . 4.050 3.231 3.050 3.409 . 0 0 "[ . 1 . 2]" 1
1731 1 64 ILE HA 1 67 LYS HA . . 5.200 5.064 4.904 5.252 0.052 17 0 "[ . 1 . 2]" 1
1732 1 64 ILE HA 1 67 LYS HB2 . . 3.660 3.205 2.935 3.643 . 0 0 "[ . 1 . 2]" 1
1733 1 64 ILE HA 1 67 LYS HB3 . . 3.590 2.465 2.257 2.691 . 0 0 "[ . 1 . 2]" 1
1734 1 64 ILE HA 1 67 LYS QD . . 4.510 4.024 3.535 4.578 0.068 15 0 "[ . 1 . 2]" 1
1735 1 64 ILE HA 1 67 LYS QE . . 4.470 3.256 2.416 4.105 . 0 0 "[ . 1 . 2]" 1
1736 1 64 ILE HA 1 67 LYS HG2 . . 5.370 5.154 4.888 5.358 . 0 0 "[ . 1 . 2]" 1
1737 1 64 ILE HA 1 67 LYS HG3 . . 5.500 5.045 4.371 5.483 . 0 0 "[ . 1 . 2]" 1
1738 1 64 ILE HA 1 68 GLN H . . 4.970 4.259 3.543 4.521 . 0 0 "[ . 1 . 2]" 1
1739 1 64 ILE HA 1 68 GLN HG2 . . 5.500 3.621 2.938 4.042 . 0 0 "[ . 1 . 2]" 1
1740 1 64 ILE HB 1 64 ILE MD . . 3.490 3.300 3.245 3.324 . 0 0 "[ . 1 . 2]" 1
1741 1 64 ILE HB 1 65 THR H . . 3.670 2.698 2.503 2.859 . 0 0 "[ . 1 . 2]" 1
1742 1 64 ILE HB 1 65 THR HA . . 5.340 4.600 4.350 4.763 . 0 0 "[ . 1 . 2]" 1
1743 1 64 ILE HB 1 65 THR HG1 . . 5.270 3.922 3.619 4.244 . 0 0 "[ . 1 . 2]" 1
1744 1 64 ILE HB 1 67 LYS HB3 . . 5.500 5.395 5.222 5.582 0.082 17 0 "[ . 1 . 2]" 1
1745 1 64 ILE MD 1 67 LYS H . . 5.230 4.829 4.623 5.050 . 0 0 "[ . 1 . 2]" 1
1746 1 64 ILE MD 1 67 LYS HB2 . . 4.470 4.051 3.596 4.477 0.007 8 0 "[ . 1 . 2]" 1
1747 1 64 ILE MD 1 67 LYS HB3 . . 4.360 3.310 2.982 3.608 . 0 0 "[ . 1 . 2]" 1
1748 1 64 ILE MD 1 67 LYS QD . . 4.350 3.489 2.727 4.462 0.112 15 0 "[ . 1 . 2]" 1
1749 1 64 ILE MD 1 67 LYS QE . . 4.230 2.618 1.960 3.289 . 0 0 "[ . 1 . 2]" 1
1750 1 64 ILE MD 1 67 LYS HG2 . . 5.500 5.179 4.819 5.585 0.085 18 0 "[ . 1 . 2]" 1
1751 1 64 ILE MD 1 67 LYS HG3 . . 5.500 5.054 4.374 5.589 0.089 18 0 "[ . 1 . 2]" 1
1752 1 64 ILE MD 1 68 GLN H . . 5.500 5.438 4.678 5.602 0.102 20 0 "[ . 1 . 2]" 1
1753 1 64 ILE MD 1 68 GLN HE21 . . 5.500 5.122 4.554 5.623 0.123 10 0 "[ . 1 . 2]" 1
1754 1 64 ILE MD 1 68 GLN HE22 . . 5.500 5.417 4.734 5.607 0.107 4 0 "[ . 1 . 2]" 1
1755 1 64 ILE MD 1 68 GLN HG2 . . 5.500 3.970 3.249 4.402 . 0 0 "[ . 1 . 2]" 1
1756 1 64 ILE QG 1 64 ILE MG . . 3.310 2.288 2.176 2.463 . 0 0 "[ . 1 . 2]" 1
1757 1 64 ILE QG 1 65 THR H . . 4.920 4.227 4.079 4.319 . 0 0 "[ . 1 . 2]" 1
1758 1 64 ILE QG 1 67 LYS QE . . 5.320 4.545 3.831 5.308 . 0 0 "[ . 1 . 2]" 1
1759 1 64 ILE QG 1 68 GLN HG2 . . 5.500 5.282 4.743 5.590 0.090 1 0 "[ . 1 . 2]" 1
1760 1 64 ILE MG 1 65 THR H . . 3.660 3.222 3.101 3.348 . 0 0 "[ . 1 . 2]" 1
1761 1 64 ILE MG 1 65 THR HA . . 4.200 3.333 3.192 3.529 . 0 0 "[ . 1 . 2]" 1
1762 1 64 ILE MG 1 65 THR HB . . 4.980 5.033 4.888 5.085 0.105 15 0 "[ . 1 . 2]" 1
1763 1 64 ILE MG 1 65 THR HG1 . . 4.440 4.193 3.907 4.477 0.037 9 0 "[ . 1 . 2]" 1
1764 1 64 ILE MG 1 65 THR MG . . 5.500 4.739 4.588 4.959 . 0 0 "[ . 1 . 2]" 1
1765 1 64 ILE MG 1 66 ILE H . . 5.500 5.065 4.945 5.207 . 0 0 "[ . 1 . 2]" 1
1766 1 64 ILE MG 1 67 LYS H . . 5.500 4.289 4.146 4.658 . 0 0 "[ . 1 . 2]" 1
1767 1 64 ILE MG 1 68 GLN H . . 5.330 4.186 3.723 4.544 . 0 0 "[ . 1 . 2]" 1
1768 1 64 ILE MG 1 68 GLN QB . . 5.500 3.462 3.015 4.076 . 0 0 "[ . 1 . 2]" 1
1769 1 64 ILE MG 1 68 GLN HG2 . . 4.560 2.592 2.151 2.863 . 0 0 "[ . 1 . 2]" 1
1770 1 64 ILE MG 1 68 GLN HG3 . . 5.100 2.751 2.182 3.376 . 0 0 "[ . 1 . 2]" 1
1771 1 65 THR H 1 65 THR HB . . 3.410 2.503 2.348 2.614 . 0 0 "[ . 1 . 2]" 1
1772 1 65 THR H 1 65 THR HG1 . . 3.420 2.139 2.014 2.402 . 0 0 "[ . 1 . 2]" 1
1773 1 65 THR H 1 65 THR MG . . 4.220 3.724 3.671 3.784 . 0 0 "[ . 1 . 2]" 1
1774 1 65 THR H 1 66 ILE H . . 3.670 2.824 2.696 2.983 . 0 0 "[ . 1 . 2]" 1
1775 1 65 THR H 1 66 ILE HB . . 5.220 4.911 4.483 5.200 . 0 0 "[ . 1 . 2]" 1
1776 1 65 THR H 1 66 ILE HG13 . . 5.500 4.495 4.208 4.798 . 0 0 "[ . 1 . 2]" 1
1777 1 65 THR H 1 92 VAL QG . . 4.790 3.725 3.549 4.124 . 0 0 "[ . 1 . 2]" 1
1778 1 65 THR HA 1 65 THR MG . . 3.460 2.419 2.350 2.546 . 0 0 "[ . 1 . 2]" 1
1779 1 65 THR HA 1 68 GLN H . . 4.820 3.301 3.106 3.524 . 0 0 "[ . 1 . 2]" 1
1780 1 65 THR HA 1 68 GLN QB . . 4.910 2.862 2.463 3.591 . 0 0 "[ . 1 . 2]" 1
1781 1 65 THR HA 1 92 VAL QG . . 5.500 4.277 4.154 4.555 . 0 0 "[ . 1 . 2]" 1
1782 1 65 THR HB 1 66 ILE H . . 3.830 2.618 2.384 2.949 . 0 0 "[ . 1 . 2]" 1
1783 1 65 THR HB 1 66 ILE HB . . 5.500 4.742 4.409 5.079 . 0 0 "[ . 1 . 2]" 1
1784 1 65 THR HB 1 66 ILE MD . . 5.330 4.406 4.165 4.670 . 0 0 "[ . 1 . 2]" 1
1785 1 65 THR HB 1 66 ILE HG13 . . 5.500 3.114 2.854 3.513 . 0 0 "[ . 1 . 2]" 1
1786 1 65 THR HB 1 92 VAL HB . . 5.500 4.227 3.006 4.559 . 0 0 "[ . 1 . 2]" 1
1787 1 65 THR HB 1 92 VAL QG . . 3.550 2.057 1.967 2.480 . 0 0 "[ . 1 . 2]" 1
1788 1 65 THR HG1 1 66 ILE H . . 4.640 4.081 3.882 4.429 . 0 0 "[ . 1 . 2]" 1
1789 1 65 THR HG1 1 92 VAL QG . . 4.460 2.735 2.528 3.491 . 0 0 "[ . 1 . 2]" 1
1790 1 65 THR MG 1 66 ILE H . . 4.590 3.561 3.228 3.765 . 0 0 "[ . 1 . 2]" 1
1791 1 65 THR MG 1 66 ILE HA . . 4.660 3.920 3.640 4.212 . 0 0 "[ . 1 . 2]" 1
1792 1 65 THR MG 1 66 ILE MD . . 4.700 4.518 4.228 4.814 0.114 7 0 "[ . 1 . 2]" 1
1793 1 65 THR MG 1 66 ILE HG13 . . 4.700 3.655 3.350 4.102 . 0 0 "[ . 1 . 2]" 1
1794 1 65 THR MG 1 69 HIS H . . 5.500 4.095 3.907 4.462 . 0 0 "[ . 1 . 2]" 1
1795 1 65 THR MG 1 69 HIS HA . . 5.500 5.370 4.969 5.588 0.088 8 0 "[ . 1 . 2]" 1
1796 1 65 THR MG 1 69 HIS QB . . 4.980 2.863 2.423 3.088 . 0 0 "[ . 1 . 2]" 1
1797 1 65 THR MG 1 69 HIS HD2 . . 4.870 4.660 3.994 4.975 0.105 13 0 "[ . 1 . 2]" 1
1798 1 65 THR MG 1 92 VAL H . . 5.500 5.142 4.811 5.451 . 0 0 "[ . 1 . 2]" 1
1799 1 65 THR MG 1 92 VAL QG . . 3.310 1.998 1.860 2.377 . 0 0 "[ . 1 . 2]" 1
1800 1 66 ILE H 1 66 ILE HB . . 3.260 2.381 2.210 2.630 . 0 0 "[ . 1 . 2]" 1
1801 1 66 ILE H 1 66 ILE MD . . 4.070 3.623 3.462 3.785 . 0 0 "[ . 1 . 2]" 1
1802 1 66 ILE H 1 66 ILE HG12 . . 3.770 3.287 2.717 3.538 . 0 0 "[ . 1 . 2]" 1
1803 1 66 ILE H 1 66 ILE HG13 . . 3.700 2.185 2.040 2.336 . 0 0 "[ . 1 . 2]" 1
1804 1 66 ILE H 1 66 ILE MG . . 3.850 3.734 3.651 3.783 . 0 0 "[ . 1 . 2]" 1
1805 1 66 ILE H 1 67 LYS H . . 3.550 2.721 2.498 2.865 . 0 0 "[ . 1 . 2]" 1
1806 1 66 ILE H 1 68 GLN H . . 5.290 4.152 3.959 4.379 . 0 0 "[ . 1 . 2]" 1
1807 1 66 ILE H 1 92 VAL QG . . 4.460 3.537 3.303 3.799 . 0 0 "[ . 1 . 2]" 1
1808 1 66 ILE HA 1 66 ILE MD . . 3.970 3.763 3.575 3.862 . 0 0 "[ . 1 . 2]" 1
1809 1 66 ILE HA 1 66 ILE HG12 . . 3.600 2.363 2.218 2.536 . 0 0 "[ . 1 . 2]" 1
1810 1 66 ILE HA 1 66 ILE HG13 . . 4.040 3.023 2.690 3.451 . 0 0 "[ . 1 . 2]" 1
1811 1 66 ILE HA 1 66 ILE MG . . 3.380 2.457 2.238 2.598 . 0 0 "[ . 1 . 2]" 1
1812 1 66 ILE HA 1 69 HIS H . . 4.440 3.485 3.162 3.778 . 0 0 "[ . 1 . 2]" 1
1813 1 66 ILE HA 1 69 HIS QB . . 4.000 3.643 2.887 4.008 0.008 10 0 "[ . 1 . 2]" 1
1814 1 66 ILE HA 1 69 HIS HD2 . . 4.840 4.320 3.806 4.775 . 0 0 "[ . 1 . 2]" 1
1815 1 66 ILE HA 1 70 THR H . . 5.350 3.396 2.881 3.958 . 0 0 "[ . 1 . 2]" 1
1816 1 66 ILE HA 1 88 MET ME . . 4.240 4.184 3.897 4.321 0.081 2 0 "[ . 1 . 2]" 1
1817 1 66 ILE HB 1 66 ILE MD . . 3.360 2.583 2.441 2.756 . 0 0 "[ . 1 . 2]" 1
1818 1 66 ILE HB 1 67 LYS H . . 3.740 3.565 2.868 3.795 0.055 3 0 "[ . 1 . 2]" 1
1819 1 66 ILE HB 1 67 LYS HA . . 5.090 4.970 4.444 5.165 0.075 19 0 "[ . 1 . 2]" 1
1820 1 66 ILE HB 1 70 THR HB . . 5.500 4.707 4.521 5.115 . 0 0 "[ . 1 . 2]" 1
1821 1 66 ILE MD 1 66 ILE MG . . 2.750 2.065 1.983 2.177 . 0 0 "[ . 1 . 2]" 1
1822 1 66 ILE MD 1 67 LYS H . . 5.340 5.381 4.955 5.455 0.115 2 0 "[ . 1 . 2]" 1
1823 1 66 ILE MD 1 70 THR MG . . 4.360 4.466 4.364 4.501 0.141 11 0 "[ . 1 . 2]" 1
1824 1 66 ILE MD 1 88 MET HA . . 5.500 4.826 4.322 5.095 . 0 0 "[ . 1 . 2]" 1
1825 1 66 ILE MD 1 88 MET HB3 . . 4.800 3.167 2.693 3.486 . 0 0 "[ . 1 . 2]" 1
1826 1 66 ILE MD 1 88 MET ME . . 3.770 3.838 3.589 3.918 0.148 6 0 "[ . 1 . 2]" 1
1827 1 66 ILE MD 1 89 GLU H . . 4.240 3.575 3.213 3.942 . 0 0 "[ . 1 . 2]" 1
1828 1 66 ILE MD 1 89 GLU HA . . 3.090 2.609 2.148 3.009 . 0 0 "[ . 1 . 2]" 1
1829 1 66 ILE MD 1 89 GLU HB2 . . 4.820 4.359 3.797 4.599 . 0 0 "[ . 1 . 2]" 1
1830 1 66 ILE MD 1 89 GLU HB3 . . 4.830 4.269 3.871 4.574 . 0 0 "[ . 1 . 2]" 1
1831 1 66 ILE MD 1 89 GLU HG2 . . 4.030 2.373 2.050 2.873 . 0 0 "[ . 1 . 2]" 1
1832 1 66 ILE MD 1 89 GLU HG3 . . 3.370 3.113 2.508 3.462 0.092 8 0 "[ . 1 . 2]" 1
1833 1 66 ILE MD 1 90 ARG H . . 5.440 5.200 4.687 5.511 0.071 2 0 "[ . 1 . 2]" 1
1834 1 66 ILE MD 1 91 VAL QG . . 5.030 4.812 4.361 5.003 . 0 0 "[ . 1 . 2]" 1
1835 1 66 ILE MD 1 92 VAL H . . 4.870 4.771 4.071 4.989 0.119 11 0 "[ . 1 . 2]" 1
1836 1 66 ILE MD 1 92 VAL HB . . 4.460 3.607 2.765 4.561 0.101 19 0 "[ . 1 . 2]" 1
1837 1 66 ILE MD 1 92 VAL QG . . 3.680 2.952 2.142 3.326 . 0 0 "[ . 1 . 2]" 1
1838 1 66 ILE MD 1 93 GLU H . . 5.390 5.080 4.318 5.483 0.093 13 0 "[ . 1 . 2]" 1
1839 1 66 ILE HG12 1 67 LYS H . . 5.240 5.111 4.706 5.308 0.068 10 0 "[ . 1 . 2]" 1
1840 1 66 ILE HG12 1 92 VAL HB . . 5.330 4.965 4.338 5.411 0.081 12 0 "[ . 1 . 2]" 1
1841 1 66 ILE HG12 1 92 VAL QG . . 4.580 3.331 2.467 3.875 . 0 0 "[ . 1 . 2]" 1
1842 1 66 ILE HG13 1 66 ILE MG . . 3.720 3.245 3.202 3.286 . 0 0 "[ . 1 . 2]" 1
1843 1 66 ILE HG13 1 92 VAL QG . . 3.880 2.765 2.345 3.091 . 0 0 "[ . 1 . 2]" 1
1844 1 66 ILE MG 1 67 LYS H . . 4.090 4.057 3.463 4.203 0.113 8 0 "[ . 1 . 2]" 1
1845 1 66 ILE MG 1 67 LYS HA . . 4.420 4.044 3.411 4.374 . 0 0 "[ . 1 . 2]" 1
1846 1 66 ILE MG 1 67 LYS HB2 . . 5.470 4.533 3.912 5.038 . 0 0 "[ . 1 . 2]" 1
1847 1 66 ILE MG 1 68 GLN H . . 5.500 5.203 4.769 5.588 0.088 3 0 "[ . 1 . 2]" 1
1848 1 66 ILE MG 1 69 HIS QB . . 5.500 5.232 4.507 5.598 0.098 2 0 "[ . 1 . 2]" 1
1849 1 66 ILE MG 1 70 THR H . . 5.500 4.431 3.767 4.950 . 0 0 "[ . 1 . 2]" 1
1850 1 66 ILE MG 1 70 THR MG . . 3.530 2.397 2.248 2.813 . 0 0 "[ . 1 . 2]" 1
1851 1 66 ILE MG 1 88 MET ME . . 3.950 3.517 2.676 4.038 0.088 11 0 "[ . 1 . 2]" 1
1852 1 66 ILE MG 1 89 GLU HG2 . . 5.500 4.351 3.768 4.874 . 0 0 "[ . 1 . 2]" 1
1853 1 67 LYS H 1 67 LYS HB2 . . 3.280 2.688 2.291 2.951 . 0 0 "[ . 1 . 2]" 1
1854 1 67 LYS H 1 67 LYS HB3 . . 3.530 2.742 2.611 2.992 . 0 0 "[ . 1 . 2]" 1
1855 1 67 LYS H 1 67 LYS QD . . 4.780 4.823 4.668 4.893 0.113 18 0 "[ . 1 . 2]" 1
1856 1 67 LYS H 1 67 LYS QE . . 5.060 4.560 3.914 5.149 0.089 16 0 "[ . 1 . 2]" 1
1857 1 67 LYS H 1 67 LYS HG2 . . 4.540 4.544 4.412 4.620 0.080 7 0 "[ . 1 . 2]" 1
1858 1 67 LYS H 1 68 GLN H . . 3.510 2.179 1.979 2.862 . 0 0 "[ . 1 . 2]" 1
1859 1 67 LYS H 1 68 GLN QB . . 5.500 4.203 3.964 5.270 . 0 0 "[ . 1 . 2]" 1
1860 1 67 LYS HA 1 67 LYS QD . . 4.340 3.971 3.241 4.204 . 0 0 "[ . 1 . 2]" 1
1861 1 67 LYS HA 1 67 LYS QE . . 5.250 4.180 3.723 4.458 . 0 0 "[ . 1 . 2]" 1
1862 1 67 LYS HA 1 67 LYS HG2 . . 3.750 2.539 2.109 2.912 . 0 0 "[ . 1 . 2]" 1
1863 1 67 LYS HA 1 67 LYS HG3 . . 3.820 2.766 2.203 3.394 . 0 0 "[ . 1 . 2]" 1
1864 1 67 LYS HA 1 70 THR H . . 4.460 3.904 3.660 4.097 . 0 0 "[ . 1 . 2]" 1
1865 1 67 LYS HA 1 70 THR HB . . 3.860 3.905 3.628 3.953 0.093 7 0 "[ . 1 . 2]" 1
1866 1 67 LYS HA 1 70 THR MG . . 5.010 4.642 3.799 4.946 . 0 0 "[ . 1 . 2]" 1
1867 1 67 LYS HB2 1 67 LYS QE . . 4.810 3.003 1.932 3.627 . 0 0 "[ . 1 . 2]" 1
1868 1 67 LYS HB2 1 68 GLN H . . 4.420 4.144 3.781 4.359 . 0 0 "[ . 1 . 2]" 1
1869 1 67 LYS HB2 1 71 VAL HB . . 4.130 4.184 4.055 4.222 0.092 11 0 "[ . 1 . 2]" 1
1870 1 67 LYS HB3 1 67 LYS QE . . 3.710 2.309 1.978 2.864 . 0 0 "[ . 1 . 2]" 1
1871 1 67 LYS QD 1 67 LYS HG2 . . 2.760 2.292 2.140 2.521 . 0 0 "[ . 1 . 2]" 1
1872 1 67 LYS QE 1 67 LYS HG2 . . 3.260 2.719 2.018 3.322 0.062 3 0 "[ . 1 . 2]" 1
1873 1 67 LYS QE 1 68 GLN H . . 5.290 5.038 4.339 5.380 0.090 5 0 "[ . 1 . 2]" 1
1874 1 67 LYS QE 1 71 VAL MG1 . . 5.010 4.083 3.282 4.742 . 0 0 "[ . 1 . 2]" 1
1875 1 67 LYS QE 1 71 VAL MG2 . . 4.390 4.390 3.608 4.526 0.136 17 0 "[ . 1 . 2]" 1
1876 1 67 LYS HG2 1 68 GLN H . . 4.930 4.695 3.932 5.003 0.073 15 0 "[ . 1 . 2]" 1
1877 1 67 LYS HG2 1 68 GLN QE . . 5.500 3.606 2.527 4.528 . 0 0 "[ . 1 . 2]" 1
1878 1 67 LYS HG2 1 71 VAL MG1 . . 3.930 2.586 2.333 3.046 . 0 0 "[ . 1 . 2]" 1
1879 1 67 LYS HG2 1 71 VAL MG2 . . 3.670 2.885 2.087 3.755 0.085 13 0 "[ . 1 . 2]" 1
1880 1 67 LYS HG3 1 71 VAL MG1 . . 4.070 3.084 2.571 3.886 . 0 0 "[ . 1 . 2]" 1
1881 1 67 LYS HG3 1 71 VAL MG2 . . 3.840 2.513 2.088 3.343 . 0 0 "[ . 1 . 2]" 1
1882 1 68 GLN H 1 68 GLN QB . . 3.710 2.506 2.285 2.778 . 0 0 "[ . 1 . 2]" 1
1883 1 68 GLN H 1 68 GLN HE21 . . 5.160 4.075 3.568 4.847 . 0 0 "[ . 1 . 2]" 1
1884 1 68 GLN H 1 68 GLN HG2 . . 3.820 2.855 2.175 3.186 . 0 0 "[ . 1 . 2]" 1
1885 1 68 GLN H 1 68 GLN HG3 . . 4.250 4.062 3.508 4.284 0.034 4 0 "[ . 1 . 2]" 1
1886 1 68 GLN H 1 69 HIS H . . 3.730 2.217 1.922 2.763 . 0 0 "[ . 1 . 2]" 1
1887 1 68 GLN H 1 69 HIS HA . . 5.500 4.926 4.652 5.354 . 0 0 "[ . 1 . 2]" 1
1888 1 68 GLN H 1 69 HIS HB3 . . 5.290 4.308 4.031 4.846 . 0 0 "[ . 1 . 2]" 1
1889 1 68 GLN H 1 71 VAL H . . 5.000 3.921 3.619 4.565 . 0 0 "[ . 1 . 2]" 1
1890 1 68 GLN H 1 71 VAL MG2 . . 5.500 4.981 4.734 5.383 . 0 0 "[ . 1 . 2]" 1
1891 1 68 GLN H 1 72 THR H . . 5.270 4.596 4.383 4.841 . 0 0 "[ . 1 . 2]" 1
1892 1 68 GLN HA 1 68 GLN HE21 . . 5.240 2.488 1.861 3.114 . 0 0 "[ . 1 . 2]" 1
1893 1 68 GLN HA 1 68 GLN QE . . 4.630 2.425 1.851 2.951 . 0 0 "[ . 1 . 2]" 1
1894 1 68 GLN HA 1 68 GLN HE22 . . 5.260 3.442 3.170 3.659 . 0 0 "[ . 1 . 2]" 1
1895 1 68 GLN HA 1 68 GLN HG2 . . 3.590 3.211 2.980 3.647 0.057 13 0 "[ . 1 . 2]" 1
1896 1 68 GLN HA 1 69 HIS HA . . 5.340 4.483 4.379 4.570 . 0 0 "[ . 1 . 2]" 1
1897 1 68 GLN HA 1 70 THR H . . 5.370 4.182 3.842 4.430 . 0 0 "[ . 1 . 2]" 1
1898 1 68 GLN HA 1 71 VAL H . . 4.220 4.292 4.256 4.313 0.093 6 0 "[ . 1 . 2]" 1
1899 1 68 GLN HA 1 72 THR HB . . 4.360 2.291 1.967 2.516 . 0 0 "[ . 1 . 2]" 1
1900 1 68 GLN HA 1 72 THR MG . . 4.050 3.126 2.510 3.345 . 0 0 "[ . 1 . 2]" 1
1901 1 68 GLN QB 1 69 HIS H . . 4.320 3.110 2.784 3.440 . 0 0 "[ . 1 . 2]" 1
1902 1 68 GLN QB 1 69 HIS HA . . 5.320 4.288 4.137 4.499 . 0 0 "[ . 1 . 2]" 1
1903 1 68 GLN QB 1 70 THR H . . 5.500 4.708 4.589 5.124 . 0 0 "[ . 1 . 2]" 1
1904 1 68 GLN QB 1 72 THR MG . . 3.880 3.632 2.668 3.859 . 0 0 "[ . 1 . 2]" 1
1905 1 68 GLN QE 1 71 VAL HB . . 5.500 4.394 3.988 5.224 . 0 0 "[ . 1 . 2]" 1
1906 1 68 GLN QE 1 72 THR MG . . 4.490 3.787 3.053 4.488 . 0 0 "[ . 1 . 2]" 1
1907 1 68 GLN HE21 1 71 VAL HB . . 5.500 4.745 4.121 6.320 0.820 16 2 "[ .- 1 .+ 2]" 1
1908 1 68 GLN HE21 1 72 THR H . . 5.500 4.809 4.074 5.557 0.057 11 0 "[ . 1 . 2]" 1
1909 1 68 GLN HE21 1 72 THR MG . . 5.500 4.259 3.239 5.066 . 0 0 "[ . 1 . 2]" 1
1910 1 68 GLN HE22 1 71 VAL MG1 . . 5.500 5.056 4.590 5.458 . 0 0 "[ . 1 . 2]" 1
1911 1 68 GLN HE22 1 72 THR MG . . 5.500 4.397 3.732 5.019 . 0 0 "[ . 1 . 2]" 1
1912 1 68 GLN HG2 1 69 HIS H . . 5.500 4.671 4.282 4.874 . 0 0 "[ . 1 . 2]" 1
1913 1 68 GLN HG2 1 72 THR HB . . 5.500 5.488 4.967 5.596 0.096 6 0 "[ . 1 . 2]" 1
1914 1 68 GLN HG3 1 69 HIS H . . 5.500 5.437 5.120 5.579 0.079 3 0 "[ . 1 . 2]" 1
1915 1 69 HIS H 1 69 HIS QB . . 3.730 2.314 2.238 2.395 . 0 0 "[ . 1 . 2]" 1
1916 1 69 HIS H 1 69 HIS HB3 . . 3.330 2.399 2.311 2.487 . 0 0 "[ . 1 . 2]" 1
1917 1 69 HIS H 1 69 HIS HD2 . . 4.400 4.399 4.199 4.481 0.081 3 0 "[ . 1 . 2]" 1
1918 1 69 HIS H 1 70 THR H . . 3.600 2.051 1.905 2.251 . 0 0 "[ . 1 . 2]" 1
1919 1 69 HIS H 1 70 THR HB . . 4.870 4.034 3.670 4.374 . 0 0 "[ . 1 . 2]" 1
1920 1 69 HIS H 1 70 THR MG . . 5.500 5.287 5.091 5.492 . 0 0 "[ . 1 . 2]" 1
1921 1 69 HIS H 1 71 VAL MG2 . . 5.500 5.410 5.043 5.591 0.091 16 0 "[ . 1 . 2]" 1
1922 1 69 HIS HA 1 69 HIS HD2 . . 4.390 4.087 3.892 4.183 . 0 0 "[ . 1 . 2]" 1
1923 1 69 HIS HA 1 70 THR HA . . 5.500 4.517 4.403 4.601 . 0 0 "[ . 1 . 2]" 1
1924 1 69 HIS HA 1 71 VAL H . . 4.940 5.029 5.019 5.040 0.100 8 0 "[ . 1 . 2]" 1
1925 1 69 HIS HA 1 72 THR H . . 4.750 4.508 3.989 4.813 0.063 6 0 "[ . 1 . 2]" 1
1926 1 69 HIS HA 1 72 THR HB . . 4.050 3.775 3.218 4.108 0.058 7 0 "[ . 1 . 2]" 1
1927 1 69 HIS HA 1 72 THR MG . . 5.190 3.885 3.327 4.283 . 0 0 "[ . 1 . 2]" 1
1928 1 69 HIS HA 1 73 THR H . . 5.500 5.132 4.581 5.555 0.055 14 0 "[ . 1 . 2]" 1
1929 1 69 HIS QB 1 70 THR H . . 4.450 3.313 3.106 3.566 . 0 0 "[ . 1 . 2]" 1
1930 1 69 HIS QB 1 70 THR HA . . 5.500 4.791 4.628 4.936 . 0 0 "[ . 1 . 2]" 1
1931 1 69 HIS HB2 1 69 HIS HE1 . . 5.110 4.874 4.830 4.937 . 0 0 "[ . 1 . 2]" 1
1932 1 69 HIS HB3 1 69 HIS HD2 . . 3.300 2.763 2.643 2.925 . 0 0 "[ . 1 . 2]" 1
1933 1 69 HIS HB3 1 69 HIS HE1 . . 5.260 5.248 5.149 5.312 0.052 12 0 "[ . 1 . 2]" 1
1934 1 69 HIS HB3 1 70 THR H . . 4.040 3.433 3.187 3.746 . 0 0 "[ . 1 . 2]" 1
1935 1 69 HIS HB3 1 71 VAL H . . 5.500 5.445 5.265 5.567 0.067 17 0 "[ . 1 . 2]" 1
1936 1 69 HIS HD2 1 70 THR H . . 4.580 4.067 3.537 4.570 . 0 0 "[ . 1 . 2]" 1
1937 1 69 HIS HD2 1 73 THR HB . . 4.840 4.914 4.889 4.931 0.091 5 0 "[ . 1 . 2]" 1
1938 1 69 HIS HD2 1 88 MET ME . . 3.370 2.468 2.084 2.934 . 0 0 "[ . 1 . 2]" 1
1939 1 69 HIS HE1 1 88 MET ME . . 5.120 5.214 5.186 5.238 0.118 20 0 "[ . 1 . 2]" 1
1940 1 70 THR H 1 70 THR HB . . 3.570 2.496 2.285 2.644 . 0 0 "[ . 1 . 2]" 1
1941 1 70 THR H 1 70 THR MG . . 4.320 3.813 3.650 3.894 . 0 0 "[ . 1 . 2]" 1
1942 1 70 THR H 1 71 VAL H . . 3.580 2.077 1.967 2.254 . 0 0 "[ . 1 . 2]" 1
1943 1 70 THR H 1 71 VAL HA . . 4.700 4.748 4.649 4.787 0.087 2 0 "[ . 1 . 2]" 1
1944 1 70 THR H 1 71 VAL MG2 . . 5.380 4.217 3.964 4.454 . 0 0 "[ . 1 . 2]" 1
1945 1 70 THR H 1 72 THR H . . 3.830 3.225 2.768 3.667 . 0 0 "[ . 1 . 2]" 1
1946 1 70 THR H 1 72 THR HB . . 4.370 3.968 3.234 4.419 0.049 19 0 "[ . 1 . 2]" 1
1947 1 70 THR HA 1 70 THR MG . . 3.610 2.536 2.424 2.850 . 0 0 "[ . 1 . 2]" 1
1948 1 70 THR HA 1 71 VAL MG2 . . 5.270 4.909 4.696 5.091 . 0 0 "[ . 1 . 2]" 1
1949 1 70 THR HA 1 72 THR H . . 5.040 4.571 4.096 5.067 0.027 16 0 "[ . 1 . 2]" 1
1950 1 70 THR HA 1 74 THR H . . 3.190 2.968 2.439 3.260 0.070 2 0 "[ . 1 . 2]" 1
1951 1 70 THR HA 1 80 PHE QD . . 3.670 2.809 2.403 3.128 . 0 0 "[ . 1 . 2]" 1
1952 1 70 THR HA 1 80 PHE QE . . 4.610 2.978 2.470 3.340 . 0 0 "[ . 1 . 2]" 1
1953 1 70 THR HA 1 88 MET ME . . 5.500 3.949 3.423 4.233 . 0 0 "[ . 1 . 2]" 1
1954 1 70 THR HB 1 71 VAL H . . 3.630 2.633 2.354 2.903 . 0 0 "[ . 1 . 2]" 1
1955 1 70 THR HB 1 71 VAL MG2 . . 4.840 3.303 2.664 3.822 . 0 0 "[ . 1 . 2]" 1
1956 1 70 THR HB 1 80 PHE QD . . 5.500 4.979 4.493 5.579 0.079 11 0 "[ . 1 . 2]" 1
1957 1 70 THR MG 1 71 VAL H . . 4.350 3.440 2.951 3.600 . 0 0 "[ . 1 . 2]" 1
1958 1 70 THR MG 1 71 VAL HA . . 4.490 3.617 3.333 3.920 . 0 0 "[ . 1 . 2]" 1
1959 1 70 THR MG 1 71 VAL HB . . 4.800 4.829 4.187 4.906 0.106 11 0 "[ . 1 . 2]" 1
1960 1 70 THR MG 1 71 VAL MG2 . . 3.140 3.009 2.316 3.268 0.128 16 0 "[ . 1 . 2]" 1
1961 1 70 THR MG 1 85 VAL MG2 . . 4.100 2.682 2.264 3.240 . 0 0 "[ . 1 . 2]" 1
1962 1 71 VAL H 1 71 VAL HB . . 3.200 2.387 2.189 2.514 . 0 0 "[ . 1 . 2]" 1
1963 1 71 VAL H 1 71 VAL MG1 . . 3.770 3.793 3.665 3.860 0.090 9 0 "[ . 1 . 2]" 1
1964 1 71 VAL H 1 71 VAL MG2 . . 2.930 2.587 2.410 2.763 . 0 0 "[ . 1 . 2]" 1
1965 1 71 VAL H 1 72 THR H . . 3.100 2.462 2.246 2.698 . 0 0 "[ . 1 . 2]" 1
1966 1 71 VAL HA 1 71 VAL MG1 . . 3.000 2.579 2.474 2.859 . 0 0 "[ . 1 . 2]" 1
1967 1 71 VAL HA 1 71 VAL MG2 . . 2.840 2.351 2.198 2.431 . 0 0 "[ . 1 . 2]" 1
1968 1 71 VAL HA 1 72 THR H . . 3.490 3.499 3.336 3.558 0.068 20 0 "[ . 1 . 2]" 1
1969 1 71 VAL HA 1 72 THR HA . . 4.600 4.669 4.578 4.691 0.091 10 0 "[ . 1 . 2]" 1
1970 1 71 VAL HA 1 73 THR H . . 4.800 3.541 3.340 3.769 . 0 0 "[ . 1 . 2]" 1
1971 1 71 VAL HA 1 74 THR H . . 4.660 3.955 3.673 4.336 . 0 0 "[ . 1 . 2]" 1
1972 1 71 VAL HA 1 74 THR HB . . 3.970 3.779 3.117 4.041 0.071 14 0 "[ . 1 . 2]" 1
1973 1 71 VAL HB 1 72 THR H . . 3.420 3.020 2.508 3.398 . 0 0 "[ . 1 . 2]" 1
1974 1 71 VAL HB 1 72 THR HA . . 4.910 4.791 4.612 4.990 0.080 11 0 "[ . 1 . 2]" 1
1975 1 71 VAL HB 1 72 THR HB . . 5.360 4.556 4.197 4.893 . 0 0 "[ . 1 . 2]" 1
1976 1 71 VAL HB 1 73 THR H . . 5.160 5.121 4.947 5.237 0.077 14 0 "[ . 1 . 2]" 1
1977 1 71 VAL MG1 1 72 THR H . . 4.040 3.537 2.730 3.906 . 0 0 "[ . 1 . 2]" 1
1978 1 71 VAL MG1 1 72 THR HA . . 3.810 3.718 3.237 3.908 0.098 5 0 "[ . 1 . 2]" 1
1979 1 71 VAL MG1 1 74 THR HB . . 5.500 5.435 4.901 5.603 0.103 11 0 "[ . 1 . 2]" 1
1980 1 71 VAL MG2 1 74 THR HB . . 5.410 4.921 4.343 5.216 . 0 0 "[ . 1 . 2]" 1
1981 1 72 THR H 1 72 THR HB . . 3.120 1.989 1.910 2.108 . 0 0 "[ . 1 . 2]" 1
1982 1 72 THR H 1 72 THR MG . . 3.400 3.495 3.413 3.515 0.115 11 0 "[ . 1 . 2]" 1
1983 1 72 THR HA 1 76 LYS QE . . 4.990 3.924 3.105 4.856 . 0 0 "[ . 1 . 2]" 1
1984 1 72 THR HB 1 76 LYS QE . . 5.500 5.035 4.638 5.585 0.085 13 0 "[ . 1 . 2]" 1
1985 1 72 THR MG 1 73 THR HB . . 4.810 4.748 4.285 4.921 0.111 16 0 "[ . 1 . 2]" 1
1986 1 72 THR MG 1 76 LYS QE . . 4.260 2.735 2.279 3.297 . 0 0 "[ . 1 . 2]" 1
1987 1 73 THR H 1 73 THR HA . . 2.940 2.957 2.938 2.982 0.042 12 0 "[ . 1 . 2]" 1
1988 1 73 THR H 1 73 THR HB . . 3.520 2.805 2.595 2.941 . 0 0 "[ . 1 . 2]" 1
1989 1 73 THR H 1 74 THR H . . 3.060 2.163 1.967 2.295 . 0 0 "[ . 1 . 2]" 1
1990 1 73 THR H 1 74 THR HB . . 4.680 4.213 3.881 4.482 . 0 0 "[ . 1 . 2]" 1
1991 1 73 THR H 1 76 LYS H . . 3.860 3.938 3.910 3.952 0.092 2 0 "[ . 1 . 2]" 1
1992 1 73 THR HA 1 73 THR MG . . 3.350 2.356 2.259 2.530 . 0 0 "[ . 1 . 2]" 1
1993 1 73 THR HA 1 76 LYS H . . 3.140 3.005 2.649 3.215 0.075 19 0 "[ . 1 . 2]" 1
1994 1 73 THR HA 1 76 LYS HB2 . . 4.100 2.446 2.220 2.683 . 0 0 "[ . 1 . 2]" 1
1995 1 73 THR HA 1 76 LYS HB3 . . 4.210 4.089 3.911 4.270 0.060 3 0 "[ . 1 . 2]" 1
1996 1 73 THR HA 1 76 LYS QD . . 4.270 3.105 2.645 3.934 . 0 0 "[ . 1 . 2]" 1
1997 1 73 THR HA 1 76 LYS HG2 . . 4.500 4.331 3.816 4.566 0.066 8 0 "[ . 1 . 2]" 1
1998 1 73 THR HA 1 76 LYS HG3 . . 4.560 2.765 2.160 3.146 . 0 0 "[ . 1 . 2]" 1
1999 1 73 THR HA 1 77 GLY H . . 4.090 3.789 3.485 4.152 0.062 14 0 "[ . 1 . 2]" 1
2000 1 73 THR HA 1 78 GLU H . . 4.620 4.521 4.212 4.695 0.075 19 0 "[ . 1 . 2]" 1
2001 1 73 THR HA 1 78 GLU QB . . 4.120 4.082 3.874 4.203 0.083 16 0 "[ . 1 . 2]" 1
2002 1 73 THR HB 1 74 THR H . . 3.830 2.624 2.413 2.980 . 0 0 "[ . 1 . 2]" 1
2003 1 73 THR HB 1 76 LYS H . . 5.500 5.051 4.942 5.221 . 0 0 "[ . 1 . 2]" 1
2004 1 73 THR HB 1 78 GLU H . . 5.400 5.350 4.982 5.475 0.075 15 0 "[ . 1 . 2]" 1
2005 1 73 THR HB 1 78 GLU QB . . 3.640 3.458 3.021 3.735 0.095 2 0 "[ . 1 . 2]" 1
2006 1 73 THR HB 1 80 PHE QD . . 5.500 3.976 3.432 4.768 . 0 0 "[ . 1 . 2]" 1
2007 1 73 THR HB 1 80 PHE QE . . 5.500 2.863 2.256 3.871 . 0 0 "[ . 1 . 2]" 1
2008 1 73 THR MG 1 74 THR H . . 3.930 3.663 3.439 3.813 . 0 0 "[ . 1 . 2]" 1
2009 1 73 THR MG 1 74 THR HA . . 4.290 4.060 3.675 4.235 . 0 0 "[ . 1 . 2]" 1
2010 1 73 THR MG 1 76 LYS QD . . 5.160 3.870 3.413 4.757 . 0 0 "[ . 1 . 2]" 1
2011 1 73 THR MG 1 76 LYS QE . . 5.420 4.615 2.398 5.382 . 0 0 "[ . 1 . 2]" 1
2012 1 73 THR MG 1 76 LYS HG3 . . 5.500 4.536 3.970 5.019 . 0 0 "[ . 1 . 2]" 1
2013 1 73 THR MG 1 78 GLU H . . 5.070 3.704 3.188 3.981 . 0 0 "[ . 1 . 2]" 1
2014 1 73 THR MG 1 78 GLU HA . . 5.500 4.442 4.140 4.726 . 0 0 "[ . 1 . 2]" 1
2015 1 73 THR MG 1 78 GLU QB . . 3.590 2.196 2.006 2.381 . 0 0 "[ . 1 . 2]" 1
2016 1 73 THR MG 1 80 PHE H . . 5.500 5.548 5.333 5.605 0.105 15 0 "[ . 1 . 2]" 1
2017 1 73 THR MG 1 80 PHE QD . . 4.510 4.242 3.761 4.637 0.127 19 0 "[ . 1 . 2]" 1
2018 1 73 THR MG 1 80 PHE QE . . 4.130 2.810 2.154 3.742 . 0 0 "[ . 1 . 2]" 1
2019 1 74 THR H 1 74 THR HB . . 3.000 2.708 2.538 2.996 . 0 0 "[ . 1 . 2]" 1
2020 1 74 THR H 1 74 THR MG . . 3.640 3.649 3.541 3.708 0.068 20 0 "[ . 1 . 2]" 1
2021 1 74 THR H 1 75 THR H . . 3.320 2.712 2.557 3.272 . 0 0 "[ . 1 . 2]" 1
2022 1 74 THR H 1 78 GLU H . . 5.260 4.628 4.462 4.930 . 0 0 "[ . 1 . 2]" 1
2023 1 74 THR H 1 78 GLU QB . . 5.380 3.412 3.180 3.722 . 0 0 "[ . 1 . 2]" 1
2024 1 74 THR HA 1 74 THR MG . . 3.310 2.313 2.195 2.385 . 0 0 "[ . 1 . 2]" 1
2025 1 74 THR HA 1 78 GLU H . . 4.040 2.642 2.389 2.979 . 0 0 "[ . 1 . 2]" 1
2026 1 74 THR HA 1 78 GLU QB . . 4.650 2.357 2.000 2.709 . 0 0 "[ . 1 . 2]" 1
2027 1 74 THR HA 1 79 ASN H . . 4.940 4.260 3.955 4.715 . 0 0 "[ . 1 . 2]" 1
2028 1 74 THR HB 1 75 THR H . . 3.120 2.902 2.305 3.200 0.080 17 0 "[ . 1 . 2]" 1
2029 1 74 THR MG 1 78 GLU H . . 5.500 4.222 3.902 4.528 . 0 0 "[ . 1 . 2]" 1
2030 1 74 THR MG 1 78 GLU QB . . 3.630 3.290 2.730 3.721 0.091 13 0 "[ . 1 . 2]" 1
2031 1 74 THR MG 1 79 ASN H . . 5.500 3.773 3.203 4.914 . 0 0 "[ . 1 . 2]" 1
2032 1 74 THR MG 1 79 ASN HA . . 4.620 2.269 1.932 3.412 . 0 0 "[ . 1 . 2]" 1
2033 1 74 THR MG 1 79 ASN HB2 . . 5.500 4.247 3.757 5.464 . 0 0 "[ . 1 . 2]" 1
2034 1 74 THR MG 1 80 PHE H . . 5.500 2.499 1.972 3.171 . 0 0 "[ . 1 . 2]" 1
2035 1 74 THR MG 1 80 PHE QD . . 3.510 3.497 3.024 3.638 0.128 15 0 "[ . 1 . 2]" 1
2036 1 75 THR H 1 75 THR HB . . 3.060 2.321 1.903 2.547 . 0 0 "[ . 1 . 2]" 1
2037 1 75 THR H 1 75 THR MG . . 3.150 2.480 2.180 3.273 0.123 17 0 "[ . 1 . 2]" 1
2038 1 75 THR H 1 78 GLU H . . 4.690 4.761 4.669 4.777 0.087 1 0 "[ . 1 . 2]" 1
2039 1 75 THR HB 1 76 LYS HG3 . . 5.350 4.875 3.917 5.399 0.049 11 0 "[ . 1 . 2]" 1
2040 1 75 THR MG 1 76 LYS H . . 4.670 2.679 2.434 3.059 . 0 0 "[ . 1 . 2]" 1
2041 1 75 THR MG 1 76 LYS HA . . 4.860 3.388 2.980 3.657 . 0 0 "[ . 1 . 2]" 1
2042 1 75 THR MG 1 76 LYS HB2 . . 4.090 3.976 3.795 4.172 0.082 17 0 "[ . 1 . 2]" 1
2043 1 75 THR MG 1 76 LYS QD . . 4.390 4.014 3.436 4.485 0.095 19 0 "[ . 1 . 2]" 1
2044 1 75 THR MG 1 76 LYS HG2 . . 3.040 2.821 2.389 3.133 0.093 18 0 "[ . 1 . 2]" 1
2045 1 75 THR MG 1 76 LYS HG3 . . 2.690 2.387 2.159 2.762 0.072 19 0 "[ . 1 . 2]" 1
2046 1 75 THR MG 1 77 GLY H . . 5.200 4.929 4.562 5.272 0.072 8 0 "[ . 1 . 2]" 1
2047 1 76 LYS H 1 76 LYS HB2 . . 3.540 2.565 2.380 2.688 . 0 0 "[ . 1 . 2]" 1
2048 1 76 LYS H 1 76 LYS HB3 . . 3.940 3.691 3.599 3.757 . 0 0 "[ . 1 . 2]" 1
2049 1 76 LYS H 1 76 LYS QD . . 4.750 4.284 4.039 4.536 . 0 0 "[ . 1 . 2]" 1
2050 1 76 LYS H 1 76 LYS QE . . 5.500 4.775 3.798 5.307 . 0 0 "[ . 1 . 2]" 1
2051 1 76 LYS H 1 76 LYS HG2 . . 4.200 3.627 3.309 3.934 . 0 0 "[ . 1 . 2]" 1
2052 1 76 LYS H 1 76 LYS HG3 . . 4.210 2.731 2.466 2.980 . 0 0 "[ . 1 . 2]" 1
2053 1 76 LYS H 1 77 GLY H . . 3.380 2.789 2.230 3.432 0.052 9 0 "[ . 1 . 2]" 1
2054 1 76 LYS H 1 77 GLY HA2 . . 5.090 4.996 4.719 5.159 0.069 6 0 "[ . 1 . 2]" 1
2055 1 76 LYS H 1 77 GLY HA3 . . 5.500 5.241 4.963 5.541 0.041 9 0 "[ . 1 . 2]" 1
2056 1 76 LYS H 1 78 GLU H . . 3.830 3.383 3.101 3.654 . 0 0 "[ . 1 . 2]" 1
2057 1 76 LYS HA 1 76 LYS QD . . 3.870 3.853 3.604 3.947 0.077 3 0 "[ . 1 . 2]" 1
2058 1 76 LYS HA 1 76 LYS HG2 . . 3.760 2.464 2.245 2.694 . 0 0 "[ . 1 . 2]" 1
2059 1 76 LYS HA 1 76 LYS HG3 . . 3.510 3.228 2.992 3.425 . 0 0 "[ . 1 . 2]" 1
2060 1 76 LYS HA 1 77 GLY H . . 3.600 3.530 3.422 3.667 0.067 12 0 "[ . 1 . 2]" 1
2061 1 76 LYS HA 1 77 GLY HA2 . . 4.560 4.568 4.384 4.639 0.079 18 0 "[ . 1 . 2]" 1
2062 1 76 LYS HA 1 77 GLY HA3 . . 5.010 4.802 4.565 5.069 0.059 6 0 "[ . 1 . 2]" 1
2063 1 76 LYS HA 1 78 GLU H . . 4.830 4.917 4.860 4.934 0.104 19 0 "[ . 1 . 2]" 1
2064 1 76 LYS HB2 1 77 GLY H . . 4.550 2.309 1.937 2.967 . 0 0 "[ . 1 . 2]" 1
2065 1 76 LYS HB2 1 77 GLY HA3 . . 5.470 4.250 3.882 4.509 . 0 0 "[ . 1 . 2]" 1
2066 1 76 LYS HB2 1 78 GLU H . . 5.260 3.901 3.574 4.267 . 0 0 "[ . 1 . 2]" 1
2067 1 76 LYS HB3 1 76 LYS QD . . 3.080 2.288 2.159 2.430 . 0 0 "[ . 1 . 2]" 1
2068 1 76 LYS HB3 1 77 GLY H . . 4.630 3.129 2.384 3.833 . 0 0 "[ . 1 . 2]" 1
2069 1 76 LYS HB3 1 77 GLY HA3 . . 5.400 4.147 3.889 4.422 . 0 0 "[ . 1 . 2]" 1
2070 1 76 LYS HB3 1 78 GLU H . . 5.500 4.978 4.663 5.336 . 0 0 "[ . 1 . 2]" 1
2071 1 76 LYS QD 1 76 LYS HG2 . . 2.510 2.352 2.157 2.461 . 0 0 "[ . 1 . 2]" 1
2072 1 76 LYS QE 1 76 LYS HG3 . . 3.600 2.495 2.380 2.663 . 0 0 "[ . 1 . 2]" 1
2073 1 76 LYS HG2 1 77 GLY H . . 5.420 4.798 4.519 5.106 . 0 0 "[ . 1 . 2]" 1
2074 1 76 LYS HG3 1 77 GLY H . . 5.170 4.343 3.962 4.606 . 0 0 "[ . 1 . 2]" 1
2075 1 77 GLY H 1 78 GLU H . . 3.380 1.947 1.500 2.933 . 0 0 "[ . 1 . 2]" 1
2076 1 77 GLY H 1 78 GLU QB . . 4.260 3.570 2.977 4.300 0.040 9 0 "[ . 1 . 2]" 1
2077 1 77 GLY H 1 78 GLU HG2 . . 5.500 4.879 4.216 5.566 0.066 12 0 "[ . 1 . 2]" 1
2078 1 77 GLY H 1 78 GLU HG3 . . 5.490 5.423 4.942 5.593 0.103 12 0 "[ . 1 . 2]" 1
2079 1 77 GLY HA2 1 78 GLU QB . . 5.500 5.126 4.680 5.265 . 0 0 "[ . 1 . 2]" 1
2080 1 77 GLY HA3 1 78 GLU HA . . 5.120 4.519 3.898 4.646 . 0 0 "[ . 1 . 2]" 1
2081 1 77 GLY HA3 1 78 GLU QB . . 5.480 4.976 4.194 5.236 . 0 0 "[ . 1 . 2]" 1
2082 1 78 GLU H 1 78 GLU QB . . 3.050 2.417 2.160 2.614 . 0 0 "[ . 1 . 2]" 1
2083 1 78 GLU H 1 78 GLU HG2 . . 4.290 4.095 3.391 4.575 0.285 12 0 "[ . 1 . 2]" 1
2084 1 78 GLU H 1 78 GLU HG3 . . 4.760 4.446 4.118 4.803 0.043 5 0 "[ . 1 . 2]" 1
2085 1 78 GLU H 1 79 ASN H . . 4.420 4.485 4.424 4.509 0.089 11 0 "[ . 1 . 2]" 1
2086 1 78 GLU H 1 79 ASN HA . . 5.500 5.132 4.929 5.479 . 0 0 "[ . 1 . 2]" 1
2087 1 78 GLU HA 1 78 GLU HG2 . . 3.470 3.069 2.370 3.672 0.202 4 0 "[ . 1 . 2]" 1
2088 1 78 GLU HA 1 78 GLU HG3 . . 3.630 2.982 2.325 3.632 0.002 9 0 "[ . 1 . 2]" 1
2089 1 78 GLU HA 1 79 ASN H . . 2.760 2.336 2.073 2.495 . 0 0 "[ . 1 . 2]" 1
2090 1 78 GLU HA 1 79 ASN HA . . 4.540 4.511 4.343 4.589 0.049 18 0 "[ . 1 . 2]" 1
2091 1 78 GLU HA 1 79 ASN HB2 . . 4.860 4.291 3.949 4.837 . 0 0 "[ . 1 . 2]" 1
2092 1 78 GLU HA 1 79 ASN HB3 . . 4.740 4.527 4.182 4.765 0.025 18 0 "[ . 1 . 2]" 1
2093 1 78 GLU HA 1 80 PHE H . . 4.920 4.300 4.006 4.667 . 0 0 "[ . 1 . 2]" 1
2094 1 78 GLU QB 1 79 ASN H . . 3.520 2.510 2.227 3.483 . 0 0 "[ . 1 . 2]" 1
2095 1 78 GLU QB 1 79 ASN HA . . 4.390 4.040 3.722 4.461 0.071 12 0 "[ . 1 . 2]" 1
2096 1 78 GLU QB 1 80 PHE H . . 5.160 2.663 2.347 3.811 . 0 0 "[ . 1 . 2]" 1
2097 1 78 GLU QB 1 80 PHE QD . . 4.560 2.993 2.392 4.131 . 0 0 "[ . 1 . 2]" 1
2098 1 78 GLU HG3 1 80 PHE H . . 5.500 4.662 3.142 5.180 . 0 0 "[ . 1 . 2]" 1
2099 1 78 GLU HG3 1 80 PHE QD . . 5.270 4.393 3.566 5.400 0.130 18 0 "[ . 1 . 2]" 1
2100 1 78 GLU HG3 1 80 PHE QE . . 4.580 3.554 2.438 4.938 0.358 18 0 "[ . 1 . 2]" 1
2101 1 79 ASN H 1 79 ASN HB2 . . 3.560 3.261 2.868 3.496 . 0 0 "[ . 1 . 2]" 1
2102 1 79 ASN H 1 79 ASN HB3 . . 3.350 2.930 2.695 3.456 0.106 2 0 "[ . 1 . 2]" 1
2103 1 79 ASN H 1 79 ASN HD21 . . 5.250 4.870 3.766 5.181 . 0 0 "[ . 1 . 2]" 1
2104 1 79 ASN H 1 80 PHE H . . 3.490 2.425 1.892 2.888 . 0 0 "[ . 1 . 2]" 1
2105 1 79 ASN H 1 80 PHE HB2 . . 5.500 4.938 4.529 5.245 . 0 0 "[ . 1 . 2]" 1
2106 1 79 ASN H 1 80 PHE QD . . 5.500 4.484 3.958 4.953 . 0 0 "[ . 1 . 2]" 1
2107 1 79 ASN HA 1 79 ASN HD22 . . 5.300 4.145 3.522 5.350 0.050 2 0 "[ . 1 . 2]" 1
2108 1 79 ASN HA 1 80 PHE H . . 2.930 2.717 2.444 3.014 0.084 5 0 "[ . 1 . 2]" 1
2109 1 79 ASN HA 1 80 PHE HB2 . . 5.070 4.676 4.246 5.065 . 0 0 "[ . 1 . 2]" 1
2110 1 79 ASN HB2 1 80 PHE H . . 4.620 4.512 4.229 4.651 0.031 15 0 "[ . 1 . 2]" 1
2111 1 79 ASN HB2 1 81 THR MG . . 5.470 5.408 4.068 5.581 0.111 18 0 "[ . 1 . 2]" 1
2112 1 79 ASN HB3 1 80 PHE H . . 4.150 4.178 3.786 4.611 0.461 2 0 "[ . 1 . 2]" 1
2113 1 79 ASN HB3 1 81 THR MG . . 5.500 4.339 3.942 5.529 0.029 2 0 "[ . 1 . 2]" 1
2114 1 79 ASN HD21 1 80 PHE H . . 5.500 5.170 4.297 5.590 0.090 3 0 "[ . 1 . 2]" 1
2115 1 79 ASN HD21 1 81 THR MG . . 5.500 3.951 2.227 5.598 0.098 17 0 "[ . 1 . 2]" 1
2116 1 79 ASN HD22 1 81 THR MG . . 5.040 3.984 2.621 5.086 0.046 2 0 "[ . 1 . 2]" 1
2117 1 80 PHE H 1 80 PHE HB2 . . 3.420 2.567 2.402 2.843 . 0 0 "[ . 1 . 2]" 1
2118 1 80 PHE H 1 80 PHE HB3 . . 3.900 3.665 3.587 3.766 . 0 0 "[ . 1 . 2]" 1
2119 1 80 PHE H 1 80 PHE QD . . 3.770 3.023 2.474 3.486 . 0 0 "[ . 1 . 2]" 1
2120 1 80 PHE H 1 81 THR H . . 4.840 4.444 4.219 4.612 . 0 0 "[ . 1 . 2]" 1
2121 1 80 PHE H 1 81 THR MG . . 5.500 5.042 4.783 5.162 . 0 0 "[ . 1 . 2]" 1
2122 1 80 PHE H 1 85 VAL MG2 . . 5.490 5.057 4.652 5.342 . 0 0 "[ . 1 . 2]" 1
2123 1 80 PHE HA 1 80 PHE QD . . 3.220 2.419 2.112 2.820 . 0 0 "[ . 1 . 2]" 1
2124 1 80 PHE HA 1 81 THR H . . 3.290 2.080 2.039 2.143 . 0 0 "[ . 1 . 2]" 1
2125 1 80 PHE HA 1 81 THR HA . . 5.060 4.405 4.282 4.511 . 0 0 "[ . 1 . 2]" 1
2126 1 80 PHE HA 1 81 THR HB . . 5.500 5.550 5.458 5.583 0.083 1 0 "[ . 1 . 2]" 1
2127 1 80 PHE HA 1 81 THR MG . . 4.240 3.721 3.504 4.023 . 0 0 "[ . 1 . 2]" 1
2128 1 80 PHE HA 1 84 ASP H . . 5.500 4.957 4.614 5.200 . 0 0 "[ . 1 . 2]" 1
2129 1 80 PHE HA 1 84 ASP HB2 . . 5.060 3.049 2.667 3.297 . 0 0 "[ . 1 . 2]" 1
2130 1 80 PHE HA 1 84 ASP HB3 . . 4.910 3.793 3.345 4.166 . 0 0 "[ . 1 . 2]" 1
2131 1 80 PHE HA 1 85 VAL MG2 . . 5.320 4.078 3.693 4.582 . 0 0 "[ . 1 . 2]" 1
2132 1 80 PHE HA 1 88 MET ME . . 5.500 4.584 4.196 4.960 . 0 0 "[ . 1 . 2]" 1
2133 1 80 PHE HB2 1 81 THR H . . 4.780 4.315 4.031 4.471 . 0 0 "[ . 1 . 2]" 1
2134 1 80 PHE HB2 1 81 THR MG . . 5.500 5.577 5.381 5.611 0.111 9 0 "[ . 1 . 2]" 1
2135 1 80 PHE HB2 1 84 ASP HB3 . . 5.500 5.213 4.462 5.568 0.068 5 0 "[ . 1 . 2]" 1
2136 1 80 PHE HB2 1 85 VAL MG2 . . 4.030 3.132 2.464 3.458 . 0 0 "[ . 1 . 2]" 1
2137 1 80 PHE HB2 1 88 MET ME . . 4.490 3.724 2.905 4.272 . 0 0 "[ . 1 . 2]" 1
2138 1 80 PHE HB3 1 81 THR H . . 4.680 3.428 2.896 3.755 . 0 0 "[ . 1 . 2]" 1
2139 1 80 PHE HB3 1 84 ASP HB3 . . 4.870 3.614 2.733 4.077 . 0 0 "[ . 1 . 2]" 1
2140 1 80 PHE HB3 1 85 VAL MG1 . . 5.500 4.721 4.417 5.012 . 0 0 "[ . 1 . 2]" 1
2141 1 80 PHE HB3 1 85 VAL MG2 . . 3.790 2.229 2.089 2.543 . 0 0 "[ . 1 . 2]" 1
2142 1 80 PHE HB3 1 88 MET ME . . 3.840 2.939 2.293 3.509 . 0 0 "[ . 1 . 2]" 1
2143 1 80 PHE QD 1 81 THR H . . 4.050 3.692 3.219 4.122 0.072 4 0 "[ . 1 . 2]" 1
2144 1 80 PHE QD 1 81 THR MG . . 5.500 5.329 4.808 5.614 0.114 6 0 "[ . 1 . 2]" 1
2145 1 80 PHE QD 1 84 ASP HB2 . . 5.500 2.849 2.423 3.353 . 0 0 "[ . 1 . 2]" 1
2146 1 80 PHE QD 1 84 ASP HB3 . . 3.870 2.344 2.104 2.595 . 0 0 "[ . 1 . 2]" 1
2147 1 80 PHE QD 1 85 VAL H . . 5.020 4.686 4.473 5.000 . 0 0 "[ . 1 . 2]" 1
2148 1 80 PHE QD 1 85 VAL HA . . 5.500 4.986 4.569 5.425 . 0 0 "[ . 1 . 2]" 1
2149 1 80 PHE QD 1 85 VAL MG2 . . 3.610 3.675 3.374 3.738 0.128 2 0 "[ . 1 . 2]" 1
2150 1 80 PHE QD 1 88 MET ME . . 3.620 2.769 2.367 2.968 . 0 0 "[ . 1 . 2]" 1
2151 1 80 PHE QE 1 88 MET ME . . 4.820 3.004 2.545 3.528 . 0 0 "[ . 1 . 2]" 1
2152 1 81 THR H 1 81 THR HB . . 4.000 3.521 3.410 3.620 . 0 0 "[ . 1 . 2]" 1
2153 1 81 THR H 1 81 THR MG . . 3.270 2.471 2.022 2.828 . 0 0 "[ . 1 . 2]" 1
2154 1 81 THR H 1 82 GLU H . . 5.500 4.562 4.464 4.661 . 0 0 "[ . 1 . 2]" 1
2155 1 81 THR H 1 83 THR H . . 5.500 4.871 4.209 5.186 . 0 0 "[ . 1 . 2]" 1
2156 1 81 THR H 1 84 ASP H . . 4.590 3.365 3.110 3.778 . 0 0 "[ . 1 . 2]" 1
2157 1 81 THR H 1 84 ASP HB2 . . 3.870 2.405 2.038 2.684 . 0 0 "[ . 1 . 2]" 1
2158 1 81 THR H 1 84 ASP HB3 . . 4.340 3.870 3.519 4.067 . 0 0 "[ . 1 . 2]" 1
2159 1 81 THR H 1 85 VAL H . . 5.380 4.187 3.901 4.488 . 0 0 "[ . 1 . 2]" 1
2160 1 81 THR H 1 85 VAL MG2 . . 5.270 3.933 3.622 4.128 . 0 0 "[ . 1 . 2]" 1
2161 1 81 THR H 1 88 MET ME . . 5.380 5.418 5.237 5.478 0.098 16 0 "[ . 1 . 2]" 1
2162 1 81 THR HA 1 81 THR MG . . 3.110 2.240 2.160 2.339 . 0 0 "[ . 1 . 2]" 1
2163 1 81 THR HA 1 82 GLU H . . 3.170 2.322 2.236 2.421 . 0 0 "[ . 1 . 2]" 1
2164 1 81 THR HA 1 82 GLU HA . . 4.450 4.275 4.081 4.429 . 0 0 "[ . 1 . 2]" 1
2165 1 81 THR HA 1 82 GLU HB2 . . 4.850 4.227 4.062 4.398 . 0 0 "[ . 1 . 2]" 1
2166 1 81 THR HA 1 82 GLU HB3 . . 5.460 5.343 5.080 5.508 0.048 4 0 "[ . 1 . 2]" 1
2167 1 81 THR HA 1 82 GLU HG3 . . 5.500 5.568 5.509 5.590 0.090 8 0 "[ . 1 . 2]" 1
2168 1 81 THR HA 1 83 THR H . . 4.310 4.193 3.755 4.378 0.068 14 0 "[ . 1 . 2]" 1
2169 1 81 THR HA 1 85 VAL MG2 . . 5.270 4.181 3.858 4.435 . 0 0 "[ . 1 . 2]" 1
2170 1 81 THR HB 1 82 GLU H . . 3.220 2.577 2.339 2.836 . 0 0 "[ . 1 . 2]" 1
2171 1 81 THR HB 1 82 GLU HB2 . . 4.500 4.162 3.959 4.550 0.050 13 0 "[ . 1 . 2]" 1
2172 1 81 THR HB 1 83 THR H . . 3.070 2.658 2.350 2.935 . 0 0 "[ . 1 . 2]" 1
2173 1 81 THR HB 1 83 THR HB . . 3.300 3.374 3.343 3.392 0.092 18 0 "[ . 1 . 2]" 1
2174 1 81 THR HB 1 84 ASP H . . 3.640 3.515 3.270 3.714 0.074 18 0 "[ . 1 . 2]" 1
2175 1 81 THR HB 1 84 ASP HB2 . . 5.180 4.764 4.312 5.232 0.052 18 0 "[ . 1 . 2]" 1
2176 1 81 THR HB 1 85 VAL MG2 . . 5.500 5.324 5.043 5.508 0.008 1 0 "[ . 1 . 2]" 1
2177 1 81 THR MG 1 82 GLU H . . 3.790 3.547 3.368 3.632 . 0 0 "[ . 1 . 2]" 1
2178 1 81 THR MG 1 82 GLU HA . . 5.500 5.566 5.444 5.606 0.106 11 0 "[ . 1 . 2]" 1
2179 1 81 THR MG 1 82 GLU HB2 . . 4.950 5.023 4.799 5.057 0.107 1 0 "[ . 1 . 2]" 1
2180 1 81 THR MG 1 83 THR H . . 4.700 4.271 3.874 4.557 . 0 0 "[ . 1 . 2]" 1
2181 1 81 THR MG 1 83 THR HB . . 5.370 4.315 3.947 4.706 . 0 0 "[ . 1 . 2]" 1
2182 1 81 THR MG 1 83 THR MG . . 5.500 5.228 4.948 5.541 0.041 13 0 "[ . 1 . 2]" 1
2183 1 81 THR MG 1 84 ASP H . . 4.970 4.254 3.851 4.667 . 0 0 "[ . 1 . 2]" 1
2184 1 82 GLU H 1 82 GLU HB2 . . 3.350 1.987 1.907 2.046 . 0 0 "[ . 1 . 2]" 1
2185 1 82 GLU H 1 82 GLU HB3 . . 3.310 3.060 2.798 3.275 . 0 0 "[ . 1 . 2]" 1
2186 1 82 GLU H 1 82 GLU HG2 . . 4.480 4.384 4.101 4.528 0.048 3 0 "[ . 1 . 2]" 1
2187 1 82 GLU H 1 82 GLU HG3 . . 3.930 3.719 3.511 3.947 0.017 1 0 "[ . 1 . 2]" 1
2188 1 82 GLU H 1 83 THR H . . 3.660 2.795 2.544 2.899 . 0 0 "[ . 1 . 2]" 1
2189 1 82 GLU H 1 83 THR HB . . 5.400 4.916 4.683 5.226 . 0 0 "[ . 1 . 2]" 1
2190 1 82 GLU H 1 84 ASP H . . 5.500 4.399 4.211 4.651 . 0 0 "[ . 1 . 2]" 1
2191 1 82 GLU H 1 85 VAL H . . 5.500 4.810 4.718 4.877 . 0 0 "[ . 1 . 2]" 1
2192 1 82 GLU H 1 85 VAL HB . . 5.500 5.012 4.771 5.532 0.032 1 0 "[ . 1 . 2]" 1
2193 1 82 GLU H 1 85 VAL MG2 . . 5.170 4.334 4.049 4.523 . 0 0 "[ . 1 . 2]" 1
2194 1 82 GLU HA 1 82 GLU HG3 . . 3.760 2.415 2.100 2.947 . 0 0 "[ . 1 . 2]" 1
2195 1 82 GLU HA 1 84 ASP H . . 5.280 4.547 4.082 4.911 . 0 0 "[ . 1 . 2]" 1
2196 1 82 GLU HA 1 85 VAL H . . 3.860 3.531 3.170 3.741 . 0 0 "[ . 1 . 2]" 1
2197 1 82 GLU HA 1 85 VAL HB . . 2.980 2.557 2.321 2.855 . 0 0 "[ . 1 . 2]" 1
2198 1 82 GLU HA 1 85 VAL MG1 . . 4.290 3.856 3.597 4.346 0.056 1 0 "[ . 1 . 2]" 1
2199 1 82 GLU HA 1 85 VAL MG2 . . 3.510 2.998 2.871 3.074 . 0 0 "[ . 1 . 2]" 1
2200 1 82 GLU HB2 1 82 GLU HG2 . . 3.010 3.026 2.968 3.057 0.047 1 0 "[ . 1 . 2]" 1
2201 1 82 GLU HB2 1 83 THR H . . 3.820 3.407 3.108 3.905 0.085 10 0 "[ . 1 . 2]" 1
2202 1 82 GLU HB3 1 83 THR H . . 3.860 2.864 2.599 3.672 . 0 0 "[ . 1 . 2]" 1
2203 1 82 GLU HB3 1 83 THR HB . . 5.500 5.170 4.748 5.444 . 0 0 "[ . 1 . 2]" 1
2204 1 82 GLU HB3 1 85 VAL MG2 . . 5.360 5.464 5.452 5.472 0.112 4 0 "[ . 1 . 2]" 1
2205 1 82 GLU HG2 1 85 VAL HB . . 5.500 4.262 3.701 4.942 . 0 0 "[ . 1 . 2]" 1
2206 1 82 GLU HG2 1 85 VAL MG1 . . 5.500 4.739 3.981 5.475 . 0 0 "[ . 1 . 2]" 1
2207 1 82 GLU HG2 1 85 VAL MG2 . . 5.500 4.979 4.384 5.531 0.031 3 0 "[ . 1 . 2]" 1
2208 1 82 GLU HG2 1 86 LYS H . . 5.500 5.005 4.386 5.555 0.055 10 0 "[ . 1 . 2]" 1
2209 1 82 GLU HG2 1 86 LYS HG3 . . 5.330 3.850 3.105 4.704 . 0 0 "[ . 1 . 2]" 1
2210 1 82 GLU HG3 1 83 THR H . . 5.390 5.054 4.834 5.446 0.056 5 0 "[ . 1 . 2]" 1
2211 1 82 GLU HG3 1 85 VAL MG1 . . 5.500 4.757 4.235 5.352 . 0 0 "[ . 1 . 2]" 1
2212 1 83 THR H 1 83 THR HB . . 3.310 2.507 2.269 2.744 . 0 0 "[ . 1 . 2]" 1
2213 1 83 THR H 1 83 THR MG . . 4.210 3.678 3.559 3.873 . 0 0 "[ . 1 . 2]" 1
2214 1 83 THR H 1 84 ASP H . . 3.620 2.784 2.175 3.013 . 0 0 "[ . 1 . 2]" 1
2215 1 83 THR H 1 85 VAL H . . 5.050 4.110 3.341 4.320 . 0 0 "[ . 1 . 2]" 1
2216 1 83 THR H 1 85 VAL MG2 . . 5.500 4.922 4.150 5.153 . 0 0 "[ . 1 . 2]" 1
2217 1 83 THR H 1 86 LYS H . . 5.000 4.586 4.276 4.721 . 0 0 "[ . 1 . 2]" 1
2218 1 83 THR H 1 86 LYS HB2 . . 5.500 5.123 4.555 5.566 0.066 10 0 "[ . 1 . 2]" 1
2219 1 83 THR HA 1 83 THR MG . . 3.630 2.346 2.192 2.480 . 0 0 "[ . 1 . 2]" 1
2220 1 83 THR HA 1 86 LYS H . . 4.280 3.457 3.261 3.596 . 0 0 "[ . 1 . 2]" 1
2221 1 83 THR HA 1 86 LYS HA . . 5.500 5.465 5.200 5.580 0.080 8 0 "[ . 1 . 2]" 1
2222 1 83 THR HA 1 86 LYS HB2 . . 3.560 2.731 2.279 3.198 . 0 0 "[ . 1 . 2]" 1
2223 1 83 THR HA 1 86 LYS QD . . 4.590 2.983 2.244 4.659 0.069 5 0 "[ . 1 . 2]" 1
2224 1 83 THR HA 1 86 LYS HG2 . . 5.310 5.006 4.619 5.416 0.106 8 0 "[ . 1 . 2]" 1
2225 1 83 THR HA 1 86 LYS HG3 . . 5.500 3.759 3.013 4.392 . 0 0 "[ . 1 . 2]" 1
2226 1 83 THR HA 1 87 MET H . . 4.630 4.340 4.047 4.613 . 0 0 "[ . 1 . 2]" 1
2227 1 83 THR HA 1 87 MET QG . . 5.500 4.229 3.977 4.487 . 0 0 "[ . 1 . 2]" 1
2228 1 83 THR HB 1 84 ASP H . . 3.850 2.530 2.282 2.861 . 0 0 "[ . 1 . 2]" 1
2229 1 83 THR HB 1 85 VAL H . . 5.230 4.941 4.739 5.108 . 0 0 "[ . 1 . 2]" 1
2230 1 83 THR MG 1 84 ASP H . . 4.540 3.603 3.199 3.910 . 0 0 "[ . 1 . 2]" 1
2231 1 83 THR MG 1 84 ASP HA . . 4.910 3.873 3.475 4.188 . 0 0 "[ . 1 . 2]" 1
2232 1 83 THR MG 1 86 LYS H . . 5.500 4.855 4.703 4.995 . 0 0 "[ . 1 . 2]" 1
2233 1 83 THR MG 1 86 LYS HB2 . . 5.500 3.950 3.736 4.201 . 0 0 "[ . 1 . 2]" 1
2234 1 83 THR MG 1 86 LYS QD . . 5.290 4.111 3.464 5.370 0.080 5 0 "[ . 1 . 2]" 1
2235 1 83 THR MG 1 86 LYS QE . . 5.500 4.337 3.088 5.474 . 0 0 "[ . 1 . 2]" 1
2236 1 83 THR MG 1 87 MET H . . 4.650 4.518 4.133 4.754 0.104 16 0 "[ . 1 . 2]" 1
2237 1 83 THR MG 1 87 MET ME . . 3.290 3.242 2.846 3.423 0.133 16 0 "[ . 1 . 2]" 1
2238 1 83 THR MG 1 87 MET QG . . 4.200 3.195 2.778 3.698 . 0 0 "[ . 1 . 2]" 1
2239 1 84 ASP H 1 84 ASP HB2 . . 4.020 2.396 2.166 2.675 . 0 0 "[ . 1 . 2]" 1
2240 1 84 ASP H 1 85 VAL H . . 3.760 2.624 2.440 2.790 . 0 0 "[ . 1 . 2]" 1
2241 1 84 ASP H 1 85 VAL HA . . 5.500 5.259 5.084 5.416 . 0 0 "[ . 1 . 2]" 1
2242 1 84 ASP H 1 85 VAL HB . . 5.370 4.744 4.482 5.118 . 0 0 "[ . 1 . 2]" 1
2243 1 84 ASP H 1 85 VAL MG2 . . 4.740 4.040 3.784 4.281 . 0 0 "[ . 1 . 2]" 1
2244 1 84 ASP H 1 86 LYS H . . 5.200 4.137 3.878 4.376 . 0 0 "[ . 1 . 2]" 1
2245 1 84 ASP HA 1 86 LYS H . . 5.060 4.471 4.205 4.644 . 0 0 "[ . 1 . 2]" 1
2246 1 84 ASP HA 1 87 MET H . . 4.090 3.401 2.981 3.764 . 0 0 "[ . 1 . 2]" 1
2247 1 84 ASP HA 1 87 MET HB2 . . 4.060 3.148 2.687 3.387 . 0 0 "[ . 1 . 2]" 1
2248 1 84 ASP HA 1 87 MET HB3 . . 4.720 4.598 4.235 4.796 0.076 17 0 "[ . 1 . 2]" 1
2249 1 84 ASP HA 1 87 MET ME . . 5.500 4.956 4.694 5.197 . 0 0 "[ . 1 . 2]" 1
2250 1 84 ASP HA 1 87 MET QG . . 5.000 2.324 1.978 2.842 . 0 0 "[ . 1 . 2]" 1
2251 1 84 ASP HA 1 88 MET H . . 5.470 4.162 3.917 4.362 . 0 0 "[ . 1 . 2]" 1
2252 1 84 ASP HB2 1 85 VAL H . . 4.220 2.625 2.297 2.954 . 0 0 "[ . 1 . 2]" 1
2253 1 84 ASP HB3 1 85 VAL H . . 4.670 3.402 3.049 3.683 . 0 0 "[ . 1 . 2]" 1
2254 1 84 ASP HB3 1 85 VAL MG2 . . 5.500 3.822 3.414 4.168 . 0 0 "[ . 1 . 2]" 1
2255 1 84 ASP HB3 1 88 MET ME . . 4.160 3.315 2.709 3.991 . 0 0 "[ . 1 . 2]" 1
2256 1 85 VAL H 1 85 VAL HB . . 3.430 2.467 2.364 2.660 . 0 0 "[ . 1 . 2]" 1
2257 1 85 VAL H 1 85 VAL MG1 . . 3.800 3.761 3.710 3.822 0.022 14 0 "[ . 1 . 2]" 1
2258 1 85 VAL H 1 85 VAL MG2 . . 3.090 2.110 2.009 2.266 . 0 0 "[ . 1 . 2]" 1
2259 1 85 VAL H 1 86 LYS H . . 3.410 2.796 2.634 2.889 . 0 0 "[ . 1 . 2]" 1
2260 1 85 VAL H 1 88 MET ME . . 4.600 4.055 3.676 4.313 . 0 0 "[ . 1 . 2]" 1
2261 1 85 VAL HA 1 85 VAL MG1 . . 3.330 2.466 2.297 2.623 . 0 0 "[ . 1 . 2]" 1
2262 1 85 VAL HA 1 85 VAL MG2 . . 3.140 2.428 2.296 2.545 . 0 0 "[ . 1 . 2]" 1
2263 1 85 VAL HA 1 86 LYS HA . . 5.050 4.840 4.762 4.902 . 0 0 "[ . 1 . 2]" 1
2264 1 85 VAL HA 1 87 MET H . . 5.500 4.320 3.898 4.509 . 0 0 "[ . 1 . 2]" 1
2265 1 85 VAL HA 1 88 MET H . . 4.750 3.256 2.785 3.532 . 0 0 "[ . 1 . 2]" 1
2266 1 85 VAL HA 1 88 MET HB2 . . 4.110 2.338 2.241 2.699 . 0 0 "[ . 1 . 2]" 1
2267 1 85 VAL HA 1 88 MET HB3 . . 4.270 3.878 2.503 4.148 . 0 0 "[ . 1 . 2]" 1
2268 1 85 VAL HA 1 88 MET ME . . 3.090 2.456 2.160 2.663 . 0 0 "[ . 1 . 2]" 1
2269 1 85 VAL HA 1 88 MET HG2 . . 4.820 4.707 4.337 5.056 0.236 5 0 "[ . 1 . 2]" 1
2270 1 85 VAL HA 1 89 GLU H . . 4.980 3.985 3.783 4.341 . 0 0 "[ . 1 . 2]" 1
2271 1 85 VAL HB 1 86 LYS H . . 3.670 2.797 2.657 3.027 . 0 0 "[ . 1 . 2]" 1
2272 1 85 VAL MG1 1 86 LYS H . . 3.990 3.587 3.388 3.932 . 0 0 "[ . 1 . 2]" 1
2273 1 85 VAL MG1 1 87 MET H . . 5.500 5.177 4.997 5.353 . 0 0 "[ . 1 . 2]" 1
2274 1 85 VAL MG1 1 88 MET H . . 4.970 4.712 4.247 5.045 0.075 6 0 "[ . 1 . 2]" 1
2275 1 85 VAL MG1 1 88 MET HB2 . . 4.110 3.596 2.836 4.402 0.292 3 0 "[ . 1 . 2]" 1
2276 1 85 VAL MG1 1 88 MET HB3 . . 4.950 4.478 3.428 4.728 . 0 0 "[ . 1 . 2]" 1
2277 1 85 VAL MG1 1 88 MET ME . . 3.310 3.255 2.365 3.432 0.122 12 0 "[ . 1 . 2]" 1
2278 1 85 VAL MG1 1 89 GLU H . . 5.500 3.966 3.741 4.431 . 0 0 "[ . 1 . 2]" 1
2279 1 85 VAL MG1 1 89 GLU HG2 . . 4.320 3.656 3.006 4.260 . 0 0 "[ . 1 . 2]" 1
2280 1 85 VAL MG2 1 86 LYS H . . 4.190 4.001 3.873 4.063 . 0 0 "[ . 1 . 2]" 1
2281 1 85 VAL MG2 1 88 MET ME . . 3.570 2.610 2.164 2.998 . 0 0 "[ . 1 . 2]" 1
2282 1 86 LYS H 1 86 LYS HB2 . . 3.310 2.371 2.112 2.585 . 0 0 "[ . 1 . 2]" 1
2283 1 86 LYS H 1 86 LYS QD . . 4.470 3.944 3.474 4.549 0.079 20 0 "[ . 1 . 2]" 1
2284 1 86 LYS H 1 86 LYS QE . . 5.500 4.736 3.797 5.131 . 0 0 "[ . 1 . 2]" 1
2285 1 86 LYS H 1 86 LYS HG2 . . 4.170 3.784 3.426 4.175 0.005 13 0 "[ . 1 . 2]" 1
2286 1 86 LYS H 1 86 LYS HG3 . . 4.460 2.675 2.400 3.226 . 0 0 "[ . 1 . 2]" 1
2287 1 86 LYS H 1 87 MET H . . 3.740 2.763 2.515 2.901 . 0 0 "[ . 1 . 2]" 1
2288 1 86 LYS H 1 87 MET QG . . 5.500 4.258 3.867 4.503 . 0 0 "[ . 1 . 2]" 1
2289 1 86 LYS H 1 88 MET H . . 5.390 4.200 3.941 4.316 . 0 0 "[ . 1 . 2]" 1
2290 1 86 LYS H 1 88 MET ME . . 5.500 5.457 5.074 5.605 0.105 10 0 "[ . 1 . 2]" 1
2291 1 86 LYS H 1 89 GLU H . . 5.500 4.634 4.476 4.730 . 0 0 "[ . 1 . 2]" 1
2292 1 86 LYS HA 1 86 LYS QD . . 4.080 4.115 3.844 4.172 0.092 17 0 "[ . 1 . 2]" 1
2293 1 86 LYS HA 1 86 LYS HG2 . . 3.990 2.455 2.293 2.665 . 0 0 "[ . 1 . 2]" 1
2294 1 86 LYS HA 1 86 LYS HG3 . . 3.810 2.892 2.597 3.196 . 0 0 "[ . 1 . 2]" 1
2295 1 86 LYS HA 1 89 GLU H . . 4.190 3.272 2.972 3.461 . 0 0 "[ . 1 . 2]" 1
2296 1 86 LYS HA 1 89 GLU HB2 . . 3.710 2.618 2.231 2.982 . 0 0 "[ . 1 . 2]" 1
2297 1 86 LYS HA 1 89 GLU HG2 . . 4.580 4.539 4.072 4.655 0.075 14 0 "[ . 1 . 2]" 1
2298 1 86 LYS HA 1 89 GLU HG3 . . 4.350 3.086 2.335 3.583 . 0 0 "[ . 1 . 2]" 1
2299 1 86 LYS HA 1 90 ARG H . . 5.470 4.977 4.411 5.475 0.005 1 0 "[ . 1 . 2]" 1
2300 1 86 LYS HB2 1 87 MET H . . 3.610 2.804 2.581 3.160 . 0 0 "[ . 1 . 2]" 1
2301 1 86 LYS HB3 1 86 LYS QE . . 4.380 2.164 1.905 2.625 . 0 0 "[ . 1 . 2]" 1
2302 1 86 LYS HB3 1 87 MET ME . . 4.760 4.395 4.062 4.814 0.054 8 0 "[ . 1 . 2]" 1
2303 1 86 LYS HG2 1 87 MET H . . 5.050 5.126 4.954 5.312 0.262 6 0 "[ . 1 . 2]" 1
2304 1 86 LYS HG3 1 87 MET H . . 5.310 4.702 4.321 5.087 . 0 0 "[ . 1 . 2]" 1
2305 1 87 MET H 1 87 MET ME . . 3.960 3.994 3.724 4.062 0.102 11 0 "[ . 1 . 2]" 1
2306 1 87 MET H 1 87 MET QG . . 3.640 2.195 2.030 2.360 . 0 0 "[ . 1 . 2]" 1
2307 1 87 MET H 1 88 MET H . . 3.860 2.618 2.494 2.816 . 0 0 "[ . 1 . 2]" 1
2308 1 87 MET H 1 88 MET HA . . 5.500 5.254 5.159 5.421 . 0 0 "[ . 1 . 2]" 1
2309 1 87 MET H 1 89 GLU H . . 4.460 4.100 3.951 4.234 . 0 0 "[ . 1 . 2]" 1
2310 1 87 MET H 1 90 ARG H . . 5.500 5.285 5.053 5.535 0.035 19 0 "[ . 1 . 2]" 1
2311 1 87 MET HA 1 87 MET ME . . 4.120 3.125 2.859 3.929 . 0 0 "[ . 1 . 2]" 1
2312 1 87 MET HA 1 87 MET QG . . 3.720 2.851 2.559 3.292 . 0 0 "[ . 1 . 2]" 1
2313 1 87 MET HA 1 88 MET HA . . 5.480 4.799 4.744 4.861 . 0 0 "[ . 1 . 2]" 1
2314 1 87 MET HA 1 90 ARG H . . 4.200 3.784 3.497 4.081 . 0 0 "[ . 1 . 2]" 1
2315 1 87 MET HA 1 91 VAL QG . . 5.410 4.118 3.776 4.856 . 0 0 "[ . 1 . 2]" 1
2316 1 87 MET HB2 1 88 MET H . . 4.580 2.567 2.310 2.772 . 0 0 "[ . 1 . 2]" 1
2317 1 87 MET HB3 1 87 MET ME . . 3.680 3.246 2.677 3.762 0.082 6 0 "[ . 1 . 2]" 1
2318 1 87 MET ME 1 87 MET QG . . 3.300 2.161 2.007 2.317 . 0 0 "[ . 1 . 2]" 1
2319 1 87 MET ME 1 88 MET H . . 5.500 5.563 5.384 5.621 0.121 3 0 "[ . 1 . 2]" 1
2320 1 87 MET QG 1 88 MET H . . 5.060 3.771 3.642 3.888 . 0 0 "[ . 1 . 2]" 1
2321 1 88 MET H 1 88 MET HB2 . . 3.980 2.393 2.136 2.516 . 0 0 "[ . 1 . 2]" 1
2322 1 88 MET H 1 88 MET HB3 . . 4.130 3.578 3.002 3.672 . 0 0 "[ . 1 . 2]" 1
2323 1 88 MET H 1 88 MET ME . . 4.760 4.017 3.730 4.211 . 0 0 "[ . 1 . 2]" 1
2324 1 88 MET H 1 88 MET HG2 . . 4.590 3.812 3.285 4.572 . 0 0 "[ . 1 . 2]" 1
2325 1 88 MET H 1 88 MET HG3 . . 5.180 2.798 2.327 4.173 . 0 0 "[ . 1 . 2]" 1
2326 1 88 MET H 1 89 GLU H . . 3.990 2.844 2.745 2.988 . 0 0 "[ . 1 . 2]" 1
2327 1 88 MET H 1 90 ARG H . . 5.420 4.285 4.113 4.529 . 0 0 "[ . 1 . 2]" 1
2328 1 88 MET HA 1 88 MET ME . . 5.500 4.497 4.103 4.620 . 0 0 "[ . 1 . 2]" 1
2329 1 88 MET HA 1 88 MET HG2 . . 4.150 2.628 2.119 3.249 . 0 0 "[ . 1 . 2]" 1
2330 1 88 MET HA 1 90 ARG H . . 5.210 3.761 3.407 4.389 . 0 0 "[ . 1 . 2]" 1
2331 1 88 MET HA 1 91 VAL H . . 4.210 3.367 3.142 3.640 . 0 0 "[ . 1 . 2]" 1
2332 1 88 MET HA 1 91 VAL HA . . 5.450 5.257 4.986 5.532 0.082 3 0 "[ . 1 . 2]" 1
2333 1 88 MET HA 1 91 VAL HB . . 4.380 3.917 2.031 4.479 0.099 9 0 "[ . 1 . 2]" 1
2334 1 88 MET HA 1 91 VAL QG . . 3.430 1.928 1.811 2.604 . 0 0 "[ . 1 . 2]" 1
2335 1 88 MET HA 1 92 VAL H . . 4.570 3.467 3.341 3.623 . 0 0 "[ . 1 . 2]" 1
2336 1 88 MET HA 1 92 VAL QG . . 4.850 3.165 2.997 3.352 . 0 0 "[ . 1 . 2]" 1
2337 1 88 MET HB2 1 88 MET ME . . 3.280 2.452 2.177 2.666 . 0 0 "[ . 1 . 2]" 1
2338 1 88 MET HB2 1 89 GLU H . . 4.960 2.980 2.759 3.756 . 0 0 "[ . 1 . 2]" 1
2339 1 88 MET HB2 1 91 VAL QG . . 5.500 4.210 3.911 4.744 . 0 0 "[ . 1 . 2]" 1
2340 1 88 MET HB2 1 92 VAL QG . . 5.500 4.197 3.783 4.616 . 0 0 "[ . 1 . 2]" 1
2341 1 88 MET HB3 1 88 MET ME . . 3.180 2.927 2.514 3.266 0.086 5 0 "[ . 1 . 2]" 1
2342 1 88 MET HB3 1 89 GLU H . . 5.070 3.607 2.703 3.859 . 0 0 "[ . 1 . 2]" 1
2343 1 88 MET HB3 1 89 GLU HA . . 5.500 4.381 4.090 4.662 . 0 0 "[ . 1 . 2]" 1
2344 1 88 MET HB3 1 91 VAL QG . . 4.100 3.469 3.039 4.159 0.059 3 0 "[ . 1 . 2]" 1
2345 1 88 MET HB3 1 92 VAL QG . . 5.280 2.872 2.407 3.937 . 0 0 "[ . 1 . 2]" 1
2346 1 88 MET ME 1 88 MET HG2 . . 3.590 2.954 2.356 3.421 . 0 0 "[ . 1 . 2]" 1
2347 1 88 MET ME 1 88 MET HG3 . . 3.340 2.913 2.285 3.451 0.111 6 0 "[ . 1 . 2]" 1
2348 1 88 MET HG2 1 91 VAL QG . . 3.970 3.111 2.443 3.896 . 0 0 "[ . 1 . 2]" 1
2349 1 88 MET HG2 1 92 VAL QG . . 5.180 3.616 2.097 3.991 . 0 0 "[ . 1 . 2]" 1
2350 1 88 MET HG3 1 91 VAL QG . . 5.250 3.419 2.656 4.258 . 0 0 "[ . 1 . 2]" 1
2351 1 88 MET HG3 1 92 VAL QG . . 5.190 4.449 3.097 4.953 . 0 0 "[ . 1 . 2]" 1
2352 1 89 GLU H 1 89 GLU HB2 . . 3.330 2.378 2.074 2.547 . 0 0 "[ . 1 . 2]" 1
2353 1 89 GLU H 1 89 GLU HB3 . . 3.600 3.574 3.355 3.655 0.055 9 0 "[ . 1 . 2]" 1
2354 1 89 GLU H 1 89 GLU HG2 . . 3.780 3.339 2.722 3.818 0.038 10 0 "[ . 1 . 2]" 1
2355 1 89 GLU H 1 89 GLU HG3 . . 3.860 2.840 2.451 3.826 . 0 0 "[ . 1 . 2]" 1
2356 1 89 GLU H 1 90 ARG H . . 3.700 2.919 2.806 3.048 . 0 0 "[ . 1 . 2]" 1
2357 1 89 GLU H 1 91 VAL QG . . 5.500 4.382 4.067 4.790 . 0 0 "[ . 1 . 2]" 1
2358 1 89 GLU HA 1 89 GLU HG2 . . 3.850 2.344 2.127 2.542 . 0 0 "[ . 1 . 2]" 1
2359 1 89 GLU HA 1 89 GLU HG3 . . 3.630 3.277 2.759 3.634 0.004 3 0 "[ . 1 . 2]" 1
2360 1 89 GLU HA 1 91 VAL H . . 4.990 4.991 4.836 5.063 0.073 10 0 "[ . 1 . 2]" 1
2361 1 89 GLU HA 1 92 VAL H . . 4.630 4.078 3.731 4.438 . 0 0 "[ . 1 . 2]" 1
2362 1 89 GLU HA 1 92 VAL QG . . 4.950 3.691 2.864 4.196 . 0 0 "[ . 1 . 2]" 1
2363 1 89 GLU HB2 1 90 ARG H . . 3.860 3.359 2.577 3.796 . 0 0 "[ . 1 . 2]" 1
2364 1 89 GLU HB3 1 90 ARG HE . . 4.330 3.887 2.581 4.417 0.087 14 0 "[ . 1 . 2]" 1
2365 1 89 GLU HG2 1 90 ARG H . . 5.500 5.138 4.955 5.429 . 0 0 "[ . 1 . 2]" 1
2366 1 90 ARG H 1 90 ARG HB2 . . 3.320 2.565 2.260 2.692 . 0 0 "[ . 1 . 2]" 1
2367 1 90 ARG H 1 90 ARG HB3 . . 3.700 3.695 3.475 3.773 0.073 19 0 "[ . 1 . 2]" 1
2368 1 90 ARG H 1 90 ARG HD2 . . 5.500 4.742 3.011 5.561 0.061 5 0 "[ . 1 . 2]" 1
2369 1 90 ARG H 1 90 ARG HD3 . . 5.360 4.043 2.606 4.742 . 0 0 "[ . 1 . 2]" 1
2370 1 90 ARG H 1 90 ARG HG2 . . 3.900 2.774 2.293 4.073 0.173 1 0 "[ . 1 . 2]" 1
2371 1 90 ARG H 1 91 VAL H . . 3.510 2.266 2.087 2.734 . 0 0 "[ . 1 . 2]" 1
2372 1 90 ARG H 1 91 VAL HB . . 5.500 5.177 3.772 5.594 0.094 6 0 "[ . 1 . 2]" 1
2373 1 90 ARG H 1 91 VAL QG . . 5.380 3.484 3.013 4.373 . 0 0 "[ . 1 . 2]" 1
2374 1 90 ARG H 1 92 VAL H . . 4.960 3.793 3.454 4.531 . 0 0 "[ . 1 . 2]" 1
2375 1 90 ARG H 1 92 VAL QG . . 5.500 4.666 3.958 5.161 . 0 0 "[ . 1 . 2]" 1
2376 1 90 ARG HA 1 90 ARG HD2 . . 3.700 3.363 2.323 3.770 0.070 16 0 "[ . 1 . 2]" 1
2377 1 90 ARG HA 1 90 ARG HD3 . . 3.690 2.411 2.029 3.788 0.098 9 0 "[ . 1 . 2]" 1
2378 1 90 ARG HA 1 90 ARG HE . . 5.250 3.655 2.013 4.654 . 0 0 "[ . 1 . 2]" 1
2379 1 90 ARG HA 1 90 ARG HG2 . . 3.880 3.268 2.933 3.662 . 0 0 "[ . 1 . 2]" 1
2380 1 90 ARG HA 1 90 ARG HG3 . . 3.900 3.694 2.389 3.872 . 0 0 "[ . 1 . 2]" 1
2381 1 90 ARG HA 1 92 VAL H . . 5.500 4.634 4.391 4.874 . 0 0 "[ . 1 . 2]" 1
2382 1 90 ARG HA 1 93 GLU HG2 . . 5.500 4.995 4.309 5.577 0.077 11 0 "[ . 1 . 2]" 1
2383 1 90 ARG HA 1 93 GLU HG3 . . 5.060 4.815 3.716 5.571 0.511 3 1 "[ + . 1 . 2]" 1
2384 1 90 ARG HA 1 94 GLN H . . 4.810 3.842 3.611 4.116 . 0 0 "[ . 1 . 2]" 1
2385 1 90 ARG HB2 1 91 VAL H . . 4.160 2.427 2.330 2.528 . 0 0 "[ . 1 . 2]" 1
2386 1 90 ARG HB2 1 91 VAL QG . . 5.500 3.435 3.034 4.311 . 0 0 "[ . 1 . 2]" 1
2387 1 90 ARG HB3 1 90 ARG HD2 . . 4.120 3.134 2.587 3.767 . 0 0 "[ . 1 . 2]" 1
2388 1 90 ARG HB3 1 90 ARG HD3 . . 4.130 2.878 2.350 3.794 . 0 0 "[ . 1 . 2]" 1
2389 1 90 ARG HB3 1 90 ARG HE . . 5.270 4.353 3.021 5.012 . 0 0 "[ . 1 . 2]" 1
2390 1 90 ARG HB3 1 91 VAL H . . 3.940 3.530 3.210 3.777 . 0 0 "[ . 1 . 2]" 1
2391 1 90 ARG HD3 1 91 VAL H . . 5.130 5.182 4.518 6.077 0.947 8 2 "[ . +-1 . 2]" 1
2392 1 90 ARG HE 1 90 ARG HG2 . . 3.780 2.710 2.100 3.875 0.095 9 0 "[ . 1 . 2]" 1
2393 1 90 ARG HE 1 90 ARG HG3 . . 3.800 3.309 2.723 3.876 0.076 18 0 "[ . 1 . 2]" 1
2394 1 90 ARG HG2 1 91 VAL H . . 4.760 4.206 3.830 4.772 0.012 1 0 "[ . 1 . 2]" 1
2395 1 90 ARG HG3 1 91 VAL H . . 4.690 4.772 4.739 4.832 0.142 14 0 "[ . 1 . 2]" 1
2396 1 91 VAL H 1 91 VAL HB . . 3.520 3.135 2.018 3.611 0.091 18 0 "[ . 1 . 2]" 1
2397 1 91 VAL H 1 91 VAL QG . . 3.390 2.151 1.859 2.849 . 0 0 "[ . 1 . 2]" 1
2398 1 91 VAL H 1 92 VAL H . . 3.380 2.984 2.728 3.198 . 0 0 "[ . 1 . 2]" 1
2399 1 91 VAL HA 1 91 VAL QG . . 3.330 2.302 2.152 2.421 . 0 0 "[ . 1 . 2]" 1
2400 1 91 VAL HA 1 93 GLU H . . 5.500 4.783 4.570 5.016 . 0 0 "[ . 1 . 2]" 1
2401 1 91 VAL HA 1 94 GLN H . . 4.330 3.826 3.429 4.227 . 0 0 "[ . 1 . 2]" 1
2402 1 91 VAL HA 1 94 GLN HG3 . . 4.920 2.849 2.444 3.908 . 0 0 "[ . 1 . 2]" 1
2403 1 91 VAL HB 1 92 VAL H . . 3.700 3.540 2.415 3.779 0.079 11 0 "[ . 1 . 2]" 1
2404 1 91 VAL HB 1 95 MET ME . . 3.640 3.017 2.184 3.768 0.128 7 0 "[ . 1 . 2]" 1
2405 1 91 VAL QG 1 92 VAL H . . 3.610 2.056 1.836 2.696 . 0 0 "[ . 1 . 2]" 1
2406 1 91 VAL QG 1 92 VAL HA . . 3.740 3.328 3.098 3.481 . 0 0 "[ . 1 . 2]" 1
2407 1 91 VAL QG 1 92 VAL QG . . 3.680 2.084 1.950 2.384 . 0 0 "[ . 1 . 2]" 1
2408 1 91 VAL QG 1 94 GLN H . . 5.500 4.785 4.455 4.970 . 0 0 "[ . 1 . 2]" 1
2409 1 91 VAL QG 1 94 GLN HG2 . . 4.950 4.607 4.384 5.686 0.736 14 2 "[ . 1 +- 2]" 1
2410 1 91 VAL QG 1 95 MET H . . 5.140 4.632 3.966 4.783 . 0 0 "[ . 1 . 2]" 1
2411 1 91 VAL QG 1 95 MET ME . . 3.200 2.150 1.688 2.841 . 0 0 "[ . 1 . 2]" 1
2412 1 91 VAL QG 1 95 MET HG2 . . 5.500 4.905 4.148 5.185 . 0 0 "[ . 1 . 2]" 1
2413 1 91 VAL QG 1 95 MET HG3 . . 4.640 3.905 3.266 4.603 . 0 0 "[ . 1 . 2]" 1
2414 1 92 VAL H 1 92 VAL HB . . 3.380 2.537 2.163 3.462 0.082 20 0 "[ . 1 . 2]" 1
2415 1 92 VAL H 1 92 VAL QG . . 3.360 2.121 1.834 2.285 . 0 0 "[ . 1 . 2]" 1
2416 1 92 VAL H 1 93 GLU H . . 3.750 2.767 2.636 2.969 . 0 0 "[ . 1 . 2]" 1
2417 1 92 VAL H 1 94 GLN H . . 5.300 4.398 4.227 4.586 . 0 0 "[ . 1 . 2]" 1
2418 1 92 VAL H 1 95 MET ME . . 4.520 3.585 3.358 4.187 . 0 0 "[ . 1 . 2]" 1
2419 1 92 VAL HA 1 92 VAL QG . . 3.220 2.219 2.109 2.610 . 0 0 "[ . 1 . 2]" 1
2420 1 92 VAL HA 1 94 GLN H . . 5.170 4.543 4.394 4.759 . 0 0 "[ . 1 . 2]" 1
2421 1 92 VAL HA 1 95 MET H . . 3.740 3.431 3.198 3.543 . 0 0 "[ . 1 . 2]" 1
2422 1 92 VAL HA 1 95 MET HA . . 5.160 5.226 5.138 5.254 0.094 15 0 "[ . 1 . 2]" 1
2423 1 92 VAL HA 1 95 MET HB2 . . 3.690 2.327 2.138 2.473 . 0 0 "[ . 1 . 2]" 1
2424 1 92 VAL HA 1 95 MET HB3 . . 4.490 3.893 3.557 4.100 . 0 0 "[ . 1 . 2]" 1
2425 1 92 VAL HA 1 95 MET ME . . 2.970 2.180 2.049 2.474 . 0 0 "[ . 1 . 2]" 1
2426 1 92 VAL HA 1 95 MET HG2 . . 5.500 5.007 4.523 5.310 . 0 0 "[ . 1 . 2]" 1
2427 1 92 VAL HA 1 95 MET HG3 . . 4.860 4.017 3.653 5.275 0.415 15 0 "[ . 1 . 2]" 1
2428 1 92 VAL HB 1 93 GLU H . . 3.960 2.956 2.442 4.054 0.094 19 0 "[ . 1 . 2]" 1
2429 1 92 VAL QG 1 93 GLU H . . 4.220 3.133 2.271 3.627 . 0 0 "[ . 1 . 2]" 1
2430 1 92 VAL QG 1 94 GLN H . . 5.500 4.785 4.506 4.951 . 0 0 "[ . 1 . 2]" 1
2431 1 92 VAL QG 1 95 MET ME . . 3.910 2.540 2.181 3.395 . 0 0 "[ . 1 . 2]" 1
2432 1 92 VAL QG 1 96 CYS H . . 4.590 3.931 3.703 4.231 . 0 0 "[ . 1 . 2]" 1
2433 1 92 VAL QG 1 96 CYS HA . . 5.500 5.012 4.658 5.411 . 0 0 "[ . 1 . 2]" 1
2434 1 93 GLU H 1 93 GLU HB2 . . 3.250 2.364 2.094 2.754 . 0 0 "[ . 1 . 2]" 1
2435 1 93 GLU H 1 93 GLU HB3 . . 3.300 2.687 2.316 3.389 0.089 13 0 "[ . 1 . 2]" 1
2436 1 93 GLU H 1 93 GLU HG2 . . 4.290 4.349 3.995 4.536 0.246 19 0 "[ . 1 . 2]" 1
2437 1 93 GLU H 1 94 GLN H . . 3.680 2.974 2.802 3.297 . 0 0 "[ . 1 . 2]" 1
2438 1 93 GLU HA 1 93 GLU HG2 . . 3.820 2.751 2.272 3.456 . 0 0 "[ . 1 . 2]" 1
2439 1 93 GLU HA 1 93 GLU HG3 . . 3.760 2.885 2.427 3.470 . 0 0 "[ . 1 . 2]" 1
2440 1 93 GLU HA 1 96 CYS H . . 4.460 3.765 3.548 4.091 . 0 0 "[ . 1 . 2]" 1
2441 1 93 GLU HA 1 96 CYS HB3 . . 4.700 4.185 2.667 4.929 0.229 13 0 "[ . 1 . 2]" 1
2442 1 93 GLU HA 1 97 VAL H . . 4.820 4.151 3.847 4.629 . 0 0 "[ . 1 . 2]" 1
2443 1 93 GLU HB2 1 94 GLN H . . 4.290 3.626 2.505 4.098 . 0 0 "[ . 1 . 2]" 1
2444 1 93 GLU HB3 1 94 GLN H . . 3.060 2.484 2.326 2.806 . 0 0 "[ . 1 . 2]" 1
2445 1 93 GLU HG2 1 94 GLN H . . 4.940 3.977 3.220 4.861 . 0 0 "[ . 1 . 2]" 1
2446 1 93 GLU HG3 1 94 GLN H . . 5.050 4.703 4.059 5.023 . 0 0 "[ . 1 . 2]" 1
2447 1 94 GLN H 1 94 GLN HB3 . . 3.400 2.764 2.534 3.130 . 0 0 "[ . 1 . 2]" 1
2448 1 94 GLN H 1 94 GLN HE21 . . 4.840 4.362 3.802 4.798 . 0 0 "[ . 1 . 2]" 1
2449 1 94 GLN H 1 94 GLN HG2 . . 3.830 3.171 2.676 3.612 . 0 0 "[ . 1 . 2]" 1
2450 1 94 GLN H 1 94 GLN HG3 . . 3.870 2.554 2.216 3.916 0.046 15 0 "[ . 1 . 2]" 1
2451 1 94 GLN H 1 95 MET H . . 3.660 2.584 2.303 3.230 . 0 0 "[ . 1 . 2]" 1
2452 1 94 GLN H 1 96 CYS H . . 4.950 4.127 3.846 4.383 . 0 0 "[ . 1 . 2]" 1
2453 1 94 GLN H 1 97 VAL QG . . 5.350 4.282 3.677 4.480 . 0 0 "[ . 1 . 2]" 1
2454 1 94 GLN HA 1 94 GLN HE21 . . 5.500 3.988 2.751 4.434 . 0 0 "[ . 1 . 2]" 1
2455 1 94 GLN HA 1 94 GLN HE22 . . 5.500 5.248 4.077 5.576 0.076 7 0 "[ . 1 . 2]" 1
2456 1 94 GLN HA 1 94 GLN HG3 . . 3.790 3.656 3.521 3.794 0.004 18 0 "[ . 1 . 2]" 1
2457 1 94 GLN HA 1 96 CYS H . . 5.220 4.205 3.803 4.522 . 0 0 "[ . 1 . 2]" 1
2458 1 94 GLN HA 1 97 VAL H . . 3.900 3.107 2.621 3.681 . 0 0 "[ . 1 . 2]" 1
2459 1 94 GLN HA 1 97 VAL HA . . 5.500 4.915 4.371 5.586 0.086 15 0 "[ . 1 . 2]" 1
2460 1 94 GLN HA 1 97 VAL HB . . 3.450 2.270 2.019 3.566 0.116 18 0 "[ . 1 . 2]" 1
2461 1 94 GLN HA 1 97 VAL QG . . 3.760 2.515 1.795 3.229 . 0 0 "[ . 1 . 2]" 1
2462 1 94 GLN HA 1 98 THR H . . 4.650 4.096 3.706 4.460 . 0 0 "[ . 1 . 2]" 1
2463 1 94 GLN HB2 1 94 GLN HG3 . . 3.010 2.837 2.165 2.971 . 0 0 "[ . 1 . 2]" 1
2464 1 94 GLN HB2 1 95 MET H . . 3.950 3.933 2.923 4.046 0.096 18 0 "[ . 1 . 2]" 1
2465 1 94 GLN HB3 1 95 MET H . . 5.090 3.981 2.197 4.258 . 0 0 "[ . 1 . 2]" 1
2466 1 94 GLN HB3 1 97 VAL QG . . 5.500 3.978 3.066 5.357 . 0 0 "[ . 1 . 2]" 1
2467 1 94 GLN HE21 1 95 MET HB2 . . 5.110 4.425 3.530 5.193 0.083 15 0 "[ . 1 . 2]" 1
2468 1 94 GLN HE21 1 97 VAL QG . . 5.500 4.929 3.361 5.167 . 0 0 "[ . 1 . 2]" 1
2469 1 94 GLN HE21 1 98 THR H . . 5.500 4.622 3.783 5.057 . 0 0 "[ . 1 . 2]" 1
2470 1 94 GLN HE21 1 98 THR MG . . 5.500 5.134 4.173 5.592 0.092 20 0 "[ . 1 . 2]" 1
2471 1 94 GLN HG2 1 95 MET H . . 4.880 4.137 3.821 4.733 . 0 0 "[ . 1 . 2]" 1
2472 1 94 GLN HG3 1 95 MET H . . 4.650 2.662 2.287 4.722 0.072 14 0 "[ . 1 . 2]" 1
2473 1 94 GLN HG3 1 97 VAL QG . . 5.500 5.182 4.344 5.621 0.121 14 0 "[ . 1 . 2]" 1
2474 1 95 MET H 1 95 MET ME . . 4.110 3.821 3.228 4.173 0.063 20 0 "[ . 1 . 2]" 1
2475 1 95 MET H 1 95 MET HG2 . . 4.330 3.772 3.589 3.992 . 0 0 "[ . 1 . 2]" 1
2476 1 95 MET H 1 95 MET HG3 . . 3.540 2.781 2.430 3.143 . 0 0 "[ . 1 . 2]" 1
2477 1 95 MET H 1 96 CYS H . . 3.610 2.686 2.529 2.939 . 0 0 "[ . 1 . 2]" 1
2478 1 95 MET HA 1 95 MET HG2 . . 3.740 2.408 2.210 3.366 . 0 0 "[ . 1 . 2]" 1
2479 1 95 MET HA 1 98 THR H . . 4.150 3.517 3.248 4.089 . 0 0 "[ . 1 . 2]" 1
2480 1 95 MET HA 1 98 THR HB . . 3.670 2.968 2.612 3.723 0.053 18 0 "[ . 1 . 2]" 1
2481 1 95 MET HA 1 98 THR MG . . 4.420 4.183 3.859 4.499 0.079 10 0 "[ . 1 . 2]" 1
2482 1 95 MET HA 1 99 GLN H . . 5.150 4.157 3.877 4.502 . 0 0 "[ . 1 . 2]" 1
2483 1 95 MET HB2 1 95 MET ME . . 3.110 2.285 2.040 2.436 . 0 0 "[ . 1 . 2]" 1
2484 1 95 MET HB2 1 96 CYS H . . 4.060 2.841 2.553 3.307 . 0 0 "[ . 1 . 2]" 1
2485 1 95 MET HB3 1 96 CYS H . . 4.570 3.579 3.350 4.055 . 0 0 "[ . 1 . 2]" 1
2486 1 95 MET ME 1 95 MET HG3 . . 3.800 2.697 2.411 3.426 . 0 0 "[ . 1 . 2]" 1
2487 1 95 MET ME 1 96 CYS H . . 4.620 4.608 4.386 4.728 0.108 18 0 "[ . 1 . 2]" 1
2488 1 95 MET HG2 1 96 CYS H . . 5.500 5.136 4.979 5.353 . 0 0 "[ . 1 . 2]" 1
2489 1 95 MET HG2 1 98 THR HB . . 5.400 4.889 4.281 5.932 0.532 15 1 "[ . 1 + 2]" 1
2490 1 96 CYS H 1 96 CYS HB2 . . 3.380 2.274 2.140 2.567 . 0 0 "[ . 1 . 2]" 1
2491 1 96 CYS H 1 96 CYS HB3 . . 3.930 3.282 2.352 3.476 . 0 0 "[ . 1 . 2]" 1
2492 1 96 CYS H 1 97 VAL H . . 3.320 2.547 2.402 2.711 . 0 0 "[ . 1 . 2]" 1
2493 1 96 CYS H 1 97 VAL QG . . 4.520 4.154 3.768 4.260 . 0 0 "[ . 1 . 2]" 1
2494 1 96 CYS H 1 98 THR H . . 4.340 4.207 4.024 4.409 0.069 17 0 "[ . 1 . 2]" 1
2495 1 96 CYS HA 1 97 VAL HA . . 5.500 4.878 4.731 5.067 . 0 0 "[ . 1 . 2]" 1
2496 1 96 CYS HA 1 99 GLN H . . 4.420 3.096 2.776 3.468 . 0 0 "[ . 1 . 2]" 1
2497 1 96 CYS HA 1 99 GLN HA . . 5.290 5.012 4.680 5.336 0.046 18 0 "[ . 1 . 2]" 1
2498 1 96 CYS HA 1 99 GLN HB2 . . 4.380 3.087 2.589 3.455 . 0 0 "[ . 1 . 2]" 1
2499 1 96 CYS HA 1 99 GLN HB3 . . 4.080 2.425 2.205 2.745 . 0 0 "[ . 1 . 2]" 1
2500 1 96 CYS HA 1 100 TYR H . . 5.030 3.708 3.335 4.155 . 0 0 "[ . 1 . 2]" 1
2501 1 96 CYS HB2 1 97 VAL H . . 4.550 3.153 2.205 3.971 . 0 0 "[ . 1 . 2]" 1
2502 1 96 CYS HB3 1 97 VAL H . . 4.480 3.329 2.656 3.741 . 0 0 "[ . 1 . 2]" 1
2503 1 96 CYS HB3 1 97 VAL HB . . 5.500 5.501 4.813 5.925 0.425 19 0 "[ . 1 . 2]" 1
2504 1 96 CYS HB3 1 97 VAL QG . . 4.520 4.109 3.544 4.611 0.091 19 0 "[ . 1 . 2]" 1
2505 1 96 CYS HB3 1 98 THR H . . 5.500 5.579 5.207 5.899 0.399 17 0 "[ . 1 . 2]" 1
2506 1 96 CYS HB3 1 99 GLN HB3 . . 5.160 4.571 4.233 5.116 . 0 0 "[ . 1 . 2]" 1
2507 1 97 VAL H 1 97 VAL HB . . 3.420 2.299 2.114 3.473 0.053 18 0 "[ . 1 . 2]" 1
2508 1 97 VAL H 1 97 VAL QG . . 3.170 2.328 2.244 2.409 . 0 0 "[ . 1 . 2]" 1
2509 1 97 VAL H 1 98 THR H . . 3.580 2.920 2.741 3.100 . 0 0 "[ . 1 . 2]" 1
2510 1 97 VAL H 1 98 THR HB . . 5.310 4.907 4.472 5.140 . 0 0 "[ . 1 . 2]" 1
2511 1 97 VAL H 1 99 GLN H . . 5.500 4.186 3.987 4.351 . 0 0 "[ . 1 . 2]" 1
2512 1 97 VAL HA 1 97 VAL QG . . 3.140 2.198 2.102 2.416 . 0 0 "[ . 1 . 2]" 1
2513 1 97 VAL HA 1 98 THR HA . . 5.500 4.761 4.634 4.857 . 0 0 "[ . 1 . 2]" 1
2514 1 97 VAL HA 1 99 GLN H . . 5.500 4.605 4.334 4.755 . 0 0 "[ . 1 . 2]" 1
2515 1 97 VAL HA 1 100 TYR H . . 4.350 3.590 3.427 3.813 . 0 0 "[ . 1 . 2]" 1
2516 1 97 VAL HA 1 100 TYR HB2 . . 4.230 3.620 3.354 4.068 . 0 0 "[ . 1 . 2]" 1
2517 1 97 VAL HA 1 100 TYR HB3 . . 4.040 2.743 2.582 3.019 . 0 0 "[ . 1 . 2]" 1
2518 1 97 VAL HA 1 100 TYR QD . . 5.130 4.046 3.360 4.304 . 0 0 "[ . 1 . 2]" 1
2519 1 97 VAL HA 1 101 GLN HG2 . . 5.500 4.934 3.894 5.572 0.072 19 0 "[ . 1 . 2]" 1
2520 1 97 VAL HB 1 98 THR H . . 3.500 2.708 2.564 3.569 0.069 18 0 "[ . 1 . 2]" 1
2521 1 97 VAL HB 1 98 THR HA . . 5.370 4.698 4.453 4.849 . 0 0 "[ . 1 . 2]" 1
2522 1 97 VAL HB 1 98 THR HB . . 4.780 4.797 4.682 4.887 0.107 18 0 "[ . 1 . 2]" 1
2523 1 97 VAL QG 1 98 THR H . . 3.760 2.863 2.147 3.054 . 0 0 "[ . 1 . 2]" 1
2524 1 97 VAL QG 1 98 THR HA . . 4.210 3.234 3.091 3.371 . 0 0 "[ . 1 . 2]" 1
2525 1 97 VAL QG 1 98 THR HB . . 5.330 4.324 2.675 4.642 . 0 0 "[ . 1 . 2]" 1
2526 1 97 VAL QG 1 98 THR MG . . 4.620 4.498 3.897 4.628 0.008 10 0 "[ . 1 . 2]" 1
2527 1 97 VAL QG 1 99 GLN H . . 5.500 4.587 4.097 4.728 . 0 0 "[ . 1 . 2]" 1
2528 1 97 VAL QG 1 100 TYR HB2 . . 5.500 4.666 4.467 5.132 . 0 0 "[ . 1 . 2]" 1
2529 1 97 VAL QG 1 100 TYR HB3 . . 5.370 3.861 3.677 4.214 . 0 0 "[ . 1 . 2]" 1
2530 1 97 VAL QG 1 100 TYR QD . . 4.570 4.129 3.781 4.337 . 0 0 "[ . 1 . 2]" 1
2531 1 97 VAL QG 1 101 GLN H . . 5.400 4.143 3.936 4.393 . 0 0 "[ . 1 . 2]" 1
2532 1 97 VAL QG 1 101 GLN HB3 . . 5.500 5.228 4.872 5.468 . 0 0 "[ . 1 . 2]" 1
2533 1 97 VAL QG 1 101 GLN HE21 . . 3.900 2.841 2.153 3.194 . 0 0 "[ . 1 . 2]" 1
2534 1 97 VAL QG 1 101 GLN HE22 . . 4.480 3.991 3.248 4.497 0.017 6 0 "[ . 1 . 2]" 1
2535 1 97 VAL QG 1 101 GLN HG2 . . 4.680 3.783 3.109 4.272 . 0 0 "[ . 1 . 2]" 1
2536 1 97 VAL QG 1 101 GLN HG3 . . 4.270 2.948 2.556 3.188 . 0 0 "[ . 1 . 2]" 1
2537 1 98 THR H 1 98 THR HB . . 3.370 2.272 1.812 2.398 . 0 0 "[ . 1 . 2]" 1
2538 1 98 THR H 1 98 THR MG . . 3.880 3.675 3.322 3.742 . 0 0 "[ . 1 . 2]" 1
2539 1 98 THR H 1 99 GLN H . . 3.830 2.651 2.388 2.733 . 0 0 "[ . 1 . 2]" 1
2540 1 98 THR H 1 99 GLN HA . . 5.170 5.229 5.068 5.254 0.084 14 0 "[ . 1 . 2]" 1
2541 1 98 THR H 1 100 TYR H . . 5.500 4.153 3.955 4.460 . 0 0 "[ . 1 . 2]" 1
2542 1 98 THR HA 1 98 THR MG . . 3.160 2.562 2.436 2.896 . 0 0 "[ . 1 . 2]" 1
2543 1 98 THR HA 1 101 GLN H . . 4.350 3.317 2.880 3.668 . 0 0 "[ . 1 . 2]" 1
2544 1 98 THR HA 1 101 GLN HB2 . . 3.860 2.665 2.239 2.886 . 0 0 "[ . 1 . 2]" 1
2545 1 98 THR HA 1 101 GLN HB3 . . 4.290 4.271 3.745 4.371 0.081 12 0 "[ . 1 . 2]" 1
2546 1 98 THR HA 1 101 GLN HE21 . . 5.500 4.139 2.204 5.544 0.044 3 0 "[ . 1 . 2]" 1
2547 1 98 THR HA 1 101 GLN HG2 . . 4.680 4.433 3.618 4.768 0.088 8 0 "[ . 1 . 2]" 1
2548 1 98 THR HA 1 101 GLN HG3 . . 4.670 2.987 2.267 3.345 . 0 0 "[ . 1 . 2]" 1
2549 1 98 THR HA 1 102 LYS H . . 5.070 4.519 4.029 5.008 . 0 0 "[ . 1 . 2]" 1
2550 1 98 THR HA 1 102 LYS QE . . 4.640 4.309 3.578 4.726 0.086 16 0 "[ . 1 . 2]" 1
2551 1 98 THR HB 1 99 GLN H . . 3.780 2.734 2.521 3.073 . 0 0 "[ . 1 . 2]" 1
2552 1 98 THR HB 1 99 GLN HA . . 5.160 4.539 4.330 5.176 0.016 18 0 "[ . 1 . 2]" 1
2553 1 98 THR HB 1 102 LYS QE . . 5.390 4.322 4.011 5.163 . 0 0 "[ . 1 . 2]" 1
2554 1 98 THR MG 1 99 GLN H . . 4.130 3.408 2.986 3.585 . 0 0 "[ . 1 . 2]" 1
2555 1 98 THR MG 1 99 GLN HA . . 4.390 3.523 3.184 3.665 . 0 0 "[ . 1 . 2]" 1
2556 1 98 THR MG 1 101 GLN H . . 5.500 4.842 4.701 5.119 . 0 0 "[ . 1 . 2]" 1
2557 1 98 THR MG 1 101 GLN HB2 . . 4.940 3.912 3.509 4.163 . 0 0 "[ . 1 . 2]" 1
2558 1 98 THR MG 1 102 LYS H . . 5.030 4.669 4.154 5.089 0.059 11 0 "[ . 1 . 2]" 1
2559 1 98 THR MG 1 102 LYS QD . . 3.680 3.557 3.167 3.785 0.105 8 0 "[ . 1 . 2]" 1
2560 1 98 THR MG 1 102 LYS QE . . 3.710 2.289 1.883 2.922 . 0 0 "[ . 1 . 2]" 1
2561 1 98 THR MG 1 102 LYS HG3 . . 4.050 3.589 3.028 4.239 0.189 19 0 "[ . 1 . 2]" 1
2562 1 99 GLN H 1 99 GLN HB2 . . 3.790 2.418 2.301 2.532 . 0 0 "[ . 1 . 2]" 1
2563 1 99 GLN H 1 99 GLN HB3 . . 3.990 2.647 2.465 2.796 . 0 0 "[ . 1 . 2]" 1
2564 1 99 GLN H 1 100 TYR H . . 4.070 2.733 2.581 2.872 . 0 0 "[ . 1 . 2]" 1
2565 1 99 GLN HA 1 99 GLN HE21 . . 4.950 3.686 2.545 4.461 . 0 0 "[ . 1 . 2]" 1
2566 1 99 GLN HA 1 99 GLN HE22 . . 5.020 3.871 3.226 4.412 . 0 0 "[ . 1 . 2]" 1
2567 1 99 GLN HA 1 102 LYS H . . 4.160 3.642 3.303 3.873 . 0 0 "[ . 1 . 2]" 1
2568 1 99 GLN HA 1 102 LYS HB2 . . 3.720 3.175 2.703 3.775 0.055 19 0 "[ . 1 . 2]" 1
2569 1 99 GLN HA 1 102 LYS QD . . 4.100 3.842 2.154 4.201 0.101 19 0 "[ . 1 . 2]" 1
2570 1 99 GLN HA 1 102 LYS QE . . 5.500 2.344 1.909 3.439 . 0 0 "[ . 1 . 2]" 1
2571 1 99 GLN HA 1 102 LYS HG2 . . 5.210 5.032 2.289 5.287 0.077 14 0 "[ . 1 . 2]" 1
2572 1 99 GLN HA 1 102 LYS HG3 . . 5.280 3.778 3.432 4.008 . 0 0 "[ . 1 . 2]" 1
2573 1 99 GLN HA 1 103 GLU H . . 5.250 4.118 3.881 4.435 . 0 0 "[ . 1 . 2]" 1
2574 1 99 GLN HA 1 103 GLU HG2 . . 5.500 4.286 3.757 5.761 0.261 20 0 "[ . 1 . 2]" 1
2575 1 99 GLN HB2 1 100 TYR H . . 5.220 3.908 3.770 4.036 . 0 0 "[ . 1 . 2]" 1
2576 1 99 GLN HB3 1 100 TYR H . . 4.410 2.738 2.512 2.926 . 0 0 "[ . 1 . 2]" 1
2577 1 99 GLN HE21 1 102 LYS HB2 . . 5.500 3.985 2.620 5.192 . 0 0 "[ . 1 . 2]" 1
2578 1 99 GLN HE21 1 102 LYS QE . . 5.500 4.110 2.644 5.285 . 0 0 "[ . 1 . 2]" 1
2579 1 99 GLN HE21 1 103 GLU H . . 5.500 4.360 2.966 5.505 0.005 12 0 "[ . 1 . 2]" 1
2580 1 99 GLN HE21 1 103 GLU HG2 . . 4.810 2.629 1.732 3.865 . 0 0 "[ . 1 . 2]" 1
2581 1 99 GLN HE21 1 103 GLU HG3 . . 4.900 3.055 2.134 4.044 . 0 0 "[ . 1 . 2]" 1
2582 1 99 GLN HE22 1 102 LYS HB2 . . 5.370 4.102 3.088 4.865 . 0 0 "[ . 1 . 2]" 1
2583 1 99 GLN HE22 1 102 LYS HB3 . . 5.500 4.808 3.899 5.544 0.044 16 0 "[ . 1 . 2]" 1
2584 1 99 GLN HE22 1 102 LYS QE . . 4.890 3.539 2.356 4.965 0.075 3 0 "[ . 1 . 2]" 1
2585 1 99 GLN HE22 1 103 GLU HG2 . . 5.500 3.799 2.910 4.775 . 0 0 "[ . 1 . 2]" 1
2586 1 99 GLN HE22 1 103 GLU HG3 . . 5.500 4.518 3.739 5.557 0.057 2 0 "[ . 1 . 2]" 1
2587 1 99 GLN HG3 1 100 TYR H . . 5.500 4.150 3.874 4.448 . 0 0 "[ . 1 . 2]" 1
2588 1 100 TYR H 1 100 TYR HB2 . . 3.530 2.533 2.407 2.738 . 0 0 "[ . 1 . 2]" 1
2589 1 100 TYR H 1 100 TYR HB3 . . 3.760 2.456 2.255 2.567 . 0 0 "[ . 1 . 2]" 1
2590 1 100 TYR H 1 100 TYR QD . . 4.260 4.189 4.117 4.232 . 0 0 "[ . 1 . 2]" 1
2591 1 100 TYR H 1 101 GLN H . . 3.860 2.786 2.640 2.967 . 0 0 "[ . 1 . 2]" 1
2592 1 100 TYR H 1 102 LYS QE . . 5.500 5.127 4.740 5.595 0.095 8 0 "[ . 1 . 2]" 1
2593 1 100 TYR H 1 103 GLU H . . 5.500 4.724 4.531 5.062 . 0 0 "[ . 1 . 2]" 1
2594 1 100 TYR HA 1 103 GLU H . . 4.950 3.316 3.038 3.612 . 0 0 "[ . 1 . 2]" 1
2595 1 100 TYR HA 1 104 SER H . . 4.880 3.351 2.971 3.758 . 0 0 "[ . 1 . 2]" 1
2596 1 100 TYR HA 1 104 SER QB . . 5.500 4.296 3.243 5.140 . 0 0 "[ . 1 . 2]" 1
2597 1 100 TYR HB2 1 101 GLN H . . 4.000 3.885 3.747 4.066 0.066 14 0 "[ . 1 . 2]" 1
2598 1 100 TYR HB2 1 103 GLU HB2 . . 5.210 4.864 4.301 5.261 0.051 19 0 "[ . 1 . 2]" 1
2599 1 100 TYR HB3 1 101 GLN H . . 3.990 2.542 2.389 2.761 . 0 0 "[ . 1 . 2]" 1
2600 1 100 TYR QD 1 101 GLN H . . 4.320 3.492 3.100 3.728 . 0 0 "[ . 1 . 2]" 1
2601 1 100 TYR QD 1 101 GLN HA . . 4.610 3.572 3.323 3.892 . 0 0 "[ . 1 . 2]" 1
2602 1 100 TYR QD 1 101 GLN HG2 . . 4.600 3.151 2.744 3.698 . 0 0 "[ . 1 . 2]" 1
2603 1 100 TYR QD 1 101 GLN HG3 . . 4.870 4.067 2.659 4.826 . 0 0 "[ . 1 . 2]" 1
2604 1 100 TYR QE 1 101 GLN HA . . 4.910 4.797 4.406 4.992 0.082 3 0 "[ . 1 . 2]" 1
2605 1 100 TYR QE 1 104 SER QB . . 5.120 3.686 2.974 4.433 . 0 0 "[ . 1 . 2]" 1
2606 1 101 GLN H 1 101 GLN HB2 . . 3.510 2.441 2.305 2.526 . 0 0 "[ . 1 . 2]" 1
2607 1 101 GLN H 1 101 GLN HB3 . . 3.820 3.587 3.498 3.646 . 0 0 "[ . 1 . 2]" 1
2608 1 101 GLN H 1 101 GLN HE21 . . 5.500 4.849 3.835 5.275 . 0 0 "[ . 1 . 2]" 1
2609 1 101 GLN H 1 101 GLN HG2 . . 4.100 2.894 2.231 3.442 . 0 0 "[ . 1 . 2]" 1
2610 1 101 GLN H 1 101 GLN HG3 . . 3.690 2.719 2.171 3.269 . 0 0 "[ . 1 . 2]" 1
2611 1 101 GLN H 1 102 LYS H . . 3.670 2.828 2.695 2.931 . 0 0 "[ . 1 . 2]" 1
2612 1 101 GLN H 1 102 LYS HG3 . . 5.500 4.695 4.314 6.187 0.687 19 1 "[ . 1 . +2]" 1
2613 1 101 GLN H 1 103 GLU H . . 5.150 4.511 4.269 4.791 . 0 0 "[ . 1 . 2]" 1
2614 1 101 GLN H 1 103 GLU HB2 . . 5.500 5.508 5.352 5.574 0.074 2 0 "[ . 1 . 2]" 1
2615 1 101 GLN HA 1 101 GLN HE21 . . 5.500 5.153 4.755 5.404 . 0 0 "[ . 1 . 2]" 1
2616 1 101 GLN HA 1 101 GLN HG2 . . 3.770 2.401 2.224 2.723 . 0 0 "[ . 1 . 2]" 1
2617 1 101 GLN HA 1 101 GLN HG3 . . 3.890 3.462 3.010 3.792 . 0 0 "[ . 1 . 2]" 1
2618 1 101 GLN HA 1 102 LYS HA . . 4.730 4.722 4.577 4.809 0.079 19 0 "[ . 1 . 2]" 1
2619 1 101 GLN HA 1 104 SER H . . 4.840 4.026 3.764 4.247 . 0 0 "[ . 1 . 2]" 1
2620 1 101 GLN HA 1 104 SER QB . . 4.450 3.241 2.790 3.784 . 0 0 "[ . 1 . 2]" 1
2621 1 101 GLN HA 1 105 GLN H . . 4.880 4.498 3.906 4.946 0.066 18 0 "[ . 1 . 2]" 1
2622 1 101 GLN HB2 1 102 LYS H . . 3.870 3.019 2.542 3.457 . 0 0 "[ . 1 . 2]" 1
2623 1 101 GLN HB3 1 101 GLN HE22 . . 5.500 4.393 3.886 4.649 . 0 0 "[ . 1 . 2]" 1
2624 1 101 GLN HB3 1 102 LYS H . . 4.010 3.826 3.500 4.088 0.078 16 0 "[ . 1 . 2]" 1
2625 1 101 GLN HE22 1 101 GLN HG2 . . 4.070 3.868 3.656 4.111 0.041 8 0 "[ . 1 . 2]" 1
2626 1 101 GLN HG2 1 102 LYS H . . 5.000 4.878 4.543 5.068 0.068 8 0 "[ . 1 . 2]" 1
2627 1 101 GLN HG2 1 104 SER QB . . 5.500 5.004 4.690 5.323 . 0 0 "[ . 1 . 2]" 1
2628 1 101 GLN HG3 1 102 LYS H . . 5.060 4.828 4.529 5.132 0.072 7 0 "[ . 1 . 2]" 1
2629 1 102 LYS H 1 102 LYS HB2 . . 3.300 2.492 2.332 2.892 . 0 0 "[ . 1 . 2]" 1
2630 1 102 LYS H 1 102 LYS HB3 . . 3.930 3.635 3.572 3.696 . 0 0 "[ . 1 . 2]" 1
2631 1 102 LYS H 1 102 LYS QD . . 4.430 4.121 2.285 4.521 0.091 16 0 "[ . 1 . 2]" 1
2632 1 102 LYS H 1 102 LYS QE . . 4.480 3.605 3.179 4.171 . 0 0 "[ . 1 . 2]" 1
2633 1 102 LYS H 1 102 LYS HG2 . . 4.220 3.596 2.236 4.015 . 0 0 "[ . 1 . 2]" 1
2634 1 102 LYS H 1 102 LYS HG3 . . 3.810 2.547 2.236 3.669 . 0 0 "[ . 1 . 2]" 1
2635 1 102 LYS H 1 103 GLU H . . 3.660 2.569 2.198 2.855 . 0 0 "[ . 1 . 2]" 1
2636 1 102 LYS H 1 103 GLU HB2 . . 5.500 4.586 4.241 5.124 . 0 0 "[ . 1 . 2]" 1
2637 1 102 LYS H 1 104 SER H . . 5.030 3.946 3.663 4.270 . 0 0 "[ . 1 . 2]" 1
2638 1 102 LYS H 1 104 SER QB . . 5.500 4.865 4.555 5.274 . 0 0 "[ . 1 . 2]" 1
2639 1 102 LYS HA 1 102 LYS QE . . 5.500 4.563 4.335 4.976 . 0 0 "[ . 1 . 2]" 1
2640 1 102 LYS HA 1 102 LYS HG2 . . 3.760 2.610 2.376 3.649 . 0 0 "[ . 1 . 2]" 1
2641 1 102 LYS HA 1 102 LYS HG3 . . 4.050 3.092 2.819 3.827 . 0 0 "[ . 1 . 2]" 1
2642 1 102 LYS HA 1 105 GLN H . . 4.060 3.947 3.667 4.132 0.072 8 0 "[ . 1 . 2]" 1
2643 1 102 LYS HB2 1 103 GLU H . . 3.690 2.372 2.194 2.494 . 0 0 "[ . 1 . 2]" 1
2644 1 102 LYS HG2 1 103 GLU H . . 5.030 4.866 3.638 5.013 . 0 0 "[ . 1 . 2]" 1
2645 1 102 LYS HG3 1 103 GLU H . . 5.500 4.319 4.150 4.560 . 0 0 "[ . 1 . 2]" 1
2646 1 103 GLU H 1 103 GLU HB3 . . 3.790 3.547 3.297 3.650 . 0 0 "[ . 1 . 2]" 1
2647 1 103 GLU H 1 103 GLU HG2 . . 4.290 2.409 2.070 3.540 . 0 0 "[ . 1 . 2]" 1
2648 1 103 GLU H 1 103 GLU HG3 . . 3.900 3.495 2.417 3.891 . 0 0 "[ . 1 . 2]" 1
2649 1 103 GLU H 1 104 SER H . . 3.520 2.774 2.597 2.857 . 0 0 "[ . 1 . 2]" 1
2650 1 103 GLU H 1 104 SER HA . . 5.340 5.371 5.243 5.413 0.073 7 0 "[ . 1 . 2]" 1
2651 1 103 GLU H 1 104 SER QB . . 5.500 4.623 4.396 5.059 . 0 0 "[ . 1 . 2]" 1
2652 1 103 GLU H 1 105 GLN H . . 5.500 4.517 4.259 4.715 . 0 0 "[ . 1 . 2]" 1
2653 1 103 GLU H 1 106 ALA MB . . 5.330 4.633 4.294 4.855 . 0 0 "[ . 1 . 2]" 1
2654 1 103 GLU HA 1 103 GLU HG3 . . 4.080 3.683 3.031 3.779 . 0 0 "[ . 1 . 2]" 1
2655 1 103 GLU HA 1 106 ALA H . . 3.920 3.173 2.928 3.386 . 0 0 "[ . 1 . 2]" 1
2656 1 103 GLU HA 1 106 ALA MB . . 3.360 2.391 2.136 2.559 . 0 0 "[ . 1 . 2]" 1
2657 1 103 GLU HB2 1 104 SER H . . 5.030 2.871 2.649 3.262 . 0 0 "[ . 1 . 2]" 1
2658 1 103 GLU HB2 1 106 ALA MB . . 4.870 4.808 4.539 4.970 0.100 6 0 "[ . 1 . 2]" 1
2659 1 103 GLU HB3 1 104 SER H . . 4.150 3.690 3.110 3.859 . 0 0 "[ . 1 . 2]" 1
2660 1 103 GLU HB3 1 104 SER HA . . 5.500 4.453 4.018 4.751 . 0 0 "[ . 1 . 2]" 1
2661 1 103 GLU HB3 1 106 ALA H . . 4.920 4.976 4.897 5.001 0.081 19 0 "[ . 1 . 2]" 1
2662 1 103 GLU HB3 1 107 TYR H . . 5.330 4.972 4.656 5.346 0.016 17 0 "[ . 1 . 2]" 1
2663 1 103 GLU HG2 1 106 ALA MB . . 4.690 4.619 3.538 4.798 0.108 18 0 "[ . 1 . 2]" 1
2664 1 103 GLU HG3 1 104 SER H . . 5.500 5.095 4.610 5.325 . 0 0 "[ . 1 . 2]" 1
2665 1 104 SER H 1 104 SER QB . . 3.760 2.292 2.110 2.581 . 0 0 "[ . 1 . 2]" 1
2666 1 104 SER H 1 105 GLN H . . 3.590 2.813 2.642 3.039 . 0 0 "[ . 1 . 2]" 1
2667 1 104 SER H 1 105 GLN HB3 . . 5.500 4.817 4.405 5.262 . 0 0 "[ . 1 . 2]" 1
2668 1 104 SER H 1 106 ALA H . . 5.380 3.975 3.726 4.181 . 0 0 "[ . 1 . 2]" 1
2669 1 104 SER H 1 106 ALA MB . . 5.500 4.695 4.480 4.830 . 0 0 "[ . 1 . 2]" 1
2670 1 104 SER HA 1 105 GLN HA . . 5.210 4.817 4.690 4.896 . 0 0 "[ . 1 . 2]" 1
2671 1 104 SER HA 1 107 TYR H . . 4.130 3.379 3.086 3.553 . 0 0 "[ . 1 . 2]" 1
2672 1 104 SER HA 1 107 TYR HB2 . . 4.180 4.114 3.817 4.257 0.077 3 0 "[ . 1 . 2]" 1
2673 1 104 SER HA 1 107 TYR HB3 . . 3.860 2.568 2.243 2.734 . 0 0 "[ . 1 . 2]" 1
2674 1 104 SER HA 1 107 TYR QD . . 3.960 2.261 2.036 2.707 . 0 0 "[ . 1 . 2]" 1
2675 1 104 SER HA 1 107 TYR QE . . 4.550 4.395 4.173 4.638 0.088 14 0 "[ . 1 . 2]" 1
2676 1 104 SER HA 1 108 TYR H . . 4.520 3.988 3.779 4.143 . 0 0 "[ . 1 . 2]" 1
2677 1 104 SER HA 1 108 TYR QD . . 4.030 4.005 3.821 4.117 0.087 18 0 "[ . 1 . 2]" 1
2678 1 104 SER HA 1 108 TYR QE . . 4.230 3.969 3.717 4.306 0.076 17 0 "[ . 1 . 2]" 1
2679 1 104 SER QB 1 105 GLN H . . 4.150 2.591 2.211 3.200 . 0 0 "[ . 1 . 2]" 1
2680 1 104 SER QB 1 105 GLN HA . . 5.260 3.976 3.619 4.363 . 0 0 "[ . 1 . 2]" 1
2681 1 104 SER QB 1 105 GLN HB3 . . 5.500 4.658 4.162 5.182 . 0 0 "[ . 1 . 2]" 1
2682 1 104 SER QB 1 107 TYR QD . . 5.200 3.501 3.126 3.800 . 0 0 "[ . 1 . 2]" 1
2683 1 104 SER QB 1 108 TYR QD . . 4.860 3.101 2.634 3.541 . 0 0 "[ . 1 . 2]" 1
2684 1 104 SER QB 1 108 TYR QE . . 4.690 2.246 1.974 2.959 . 0 0 "[ . 1 . 2]" 1
2685 1 105 GLN H 1 105 GLN HB2 . . 3.150 2.425 2.220 2.587 . 0 0 "[ . 1 . 2]" 1
2686 1 105 GLN H 1 105 GLN HB3 . . 3.130 2.384 2.236 2.700 . 0 0 "[ . 1 . 2]" 1
2687 1 105 GLN H 1 105 GLN HE21 . . 4.300 4.361 4.242 4.384 0.084 18 0 "[ . 1 . 2]" 1
2688 1 105 GLN H 1 105 GLN QG . . 4.310 3.923 3.830 3.981 . 0 0 "[ . 1 . 2]" 1
2689 1 105 GLN H 1 106 ALA MB . . 4.990 4.356 4.145 4.531 . 0 0 "[ . 1 . 2]" 1
2690 1 105 GLN H 1 107 TYR H . . 5.240 4.086 3.807 4.251 . 0 0 "[ . 1 . 2]" 1
2691 1 105 GLN H 1 107 TYR QD . . 5.050 5.057 4.866 5.134 0.084 14 0 "[ . 1 . 2]" 1
2692 1 105 GLN H 1 108 TYR QD . . 4.090 3.774 3.543 4.137 0.047 17 0 "[ . 1 . 2]" 1
2693 1 105 GLN HA 1 105 GLN HE21 . . 5.100 4.275 3.610 4.528 . 0 0 "[ . 1 . 2]" 1
2694 1 105 GLN HA 1 105 GLN QG . . 3.560 2.471 2.150 2.607 . 0 0 "[ . 1 . 2]" 1
2695 1 105 GLN HA 1 106 ALA MB . . 5.500 5.058 4.994 5.090 . 0 0 "[ . 1 . 2]" 1
2696 1 105 GLN HA 1 107 TYR H . . 4.310 4.157 3.767 4.360 0.050 11 0 "[ . 1 . 2]" 1
2697 1 105 GLN HA 1 108 TYR H . . 4.270 3.567 3.255 3.818 . 0 0 "[ . 1 . 2]" 1
2698 1 105 GLN HA 1 108 TYR HB2 . . 4.090 2.642 2.381 2.786 . 0 0 "[ . 1 . 2]" 1
2699 1 105 GLN HA 1 108 TYR HB3 . . 4.270 4.251 3.973 4.342 0.072 11 0 "[ . 1 . 2]" 1
2700 1 105 GLN HA 1 108 TYR QD . . 4.930 2.308 2.109 2.721 . 0 0 "[ . 1 . 2]" 1
2701 1 105 GLN HA 1 109 ASP H . . 4.850 3.670 3.358 3.887 . 0 0 "[ . 1 . 2]" 1
2702 1 105 GLN HB2 1 106 ALA MB . . 5.350 5.357 5.231 5.438 0.088 1 0 "[ . 1 . 2]" 1
2703 1 105 GLN HB2 1 108 TYR QD . . 5.260 4.196 4.016 4.497 . 0 0 "[ . 1 . 2]" 1
2704 1 105 GLN HB3 1 106 ALA H . . 3.640 2.806 2.674 3.325 . 0 0 "[ . 1 . 2]" 1
2705 1 105 GLN HB3 1 106 ALA HA . . 5.010 4.408 4.225 4.708 . 0 0 "[ . 1 . 2]" 1
2706 1 105 GLN HB3 1 106 ALA MB . . 4.580 4.026 3.844 4.275 . 0 0 "[ . 1 . 2]" 1
2707 1 105 GLN HE21 1 106 ALA H . . 3.740 3.296 2.743 3.788 0.048 1 0 "[ . 1 . 2]" 1
2708 1 105 GLN HE21 1 106 ALA MB . . 5.070 3.385 2.783 3.968 . 0 0 "[ . 1 . 2]" 1
2709 1 105 GLN HE21 1 107 TYR H . . 5.500 5.414 4.612 5.599 0.099 15 0 "[ . 1 . 2]" 1
2710 1 105 GLN QG 1 106 ALA HA . . 5.500 4.088 3.767 5.226 . 0 0 "[ . 1 . 2]" 1
2711 1 105 GLN QG 1 108 TYR QD . . 4.860 4.347 3.739 4.567 . 0 0 "[ . 1 . 2]" 1
2712 1 105 GLN QG 1 109 ASP H . . 5.500 3.953 3.636 4.529 . 0 0 "[ . 1 . 2]" 1
2713 1 106 ALA H 1 106 ALA MB . . 2.850 2.217 2.151 2.279 . 0 0 "[ . 1 . 2]" 1
2714 1 106 ALA H 1 107 TYR H . . 3.310 2.516 2.280 2.629 . 0 0 "[ . 1 . 2]" 1
2715 1 106 ALA H 1 107 TYR HA . . 5.330 5.185 4.924 5.286 . 0 0 "[ . 1 . 2]" 1
2716 1 106 ALA H 1 107 TYR HB2 . . 5.500 5.542 5.301 5.573 0.073 15 0 "[ . 1 . 2]" 1
2717 1 106 ALA H 1 108 TYR H . . 4.970 4.317 4.080 4.551 . 0 0 "[ . 1 . 2]" 1
2718 1 106 ALA H 1 109 ASP H . . 5.290 5.001 4.858 5.272 . 0 0 "[ . 1 . 2]" 1
2719 1 106 ALA HA 1 109 ASP HA . . 4.800 4.438 3.850 4.847 0.047 17 0 "[ . 1 . 2]" 1
2720 1 106 ALA MB 1 107 TYR H . . 3.410 2.819 2.597 3.091 . 0 0 "[ . 1 . 2]" 1
2721 1 106 ALA MB 1 107 TYR HA . . 4.740 3.991 3.845 4.100 . 0 0 "[ . 1 . 2]" 1
2722 1 106 ALA MB 1 107 TYR HB2 . . 5.000 4.616 4.335 4.801 . 0 0 "[ . 1 . 2]" 1
2723 1 106 ALA MB 1 107 TYR HB3 . . 5.500 4.117 3.926 4.192 . 0 0 "[ . 1 . 2]" 1
2724 1 106 ALA MB 1 107 TYR QD . . 5.350 5.413 5.261 5.472 0.122 16 0 "[ . 1 . 2]" 1
2725 1 106 ALA MB 1 108 TYR H . . 5.450 4.859 4.573 5.073 . 0 0 "[ . 1 . 2]" 1
2726 1 106 ALA MB 1 109 ASP H . . 5.410 5.193 4.931 5.492 0.082 18 0 "[ . 1 . 2]" 1
2727 1 106 ALA MB 1 109 ASP QB . . 5.060 4.898 4.691 4.974 . 0 0 "[ . 1 . 2]" 1
2728 1 107 TYR H 1 107 TYR HB2 . . 3.270 3.183 3.006 3.328 0.058 18 0 "[ . 1 . 2]" 1
2729 1 107 TYR H 1 107 TYR HB3 . . 3.300 2.018 1.903 2.151 . 0 0 "[ . 1 . 2]" 1
2730 1 107 TYR H 1 107 TYR QD . . 3.530 3.623 3.600 3.633 0.103 1 0 "[ . 1 . 2]" 1
2731 1 107 TYR H 1 108 TYR H . . 3.440 2.544 2.325 2.778 . 0 0 "[ . 1 . 2]" 1
2732 1 107 TYR H 1 108 TYR QD . . 4.500 4.458 4.227 4.578 0.078 4 0 "[ . 1 . 2]" 1
2733 1 107 TYR H 1 109 ASP H . . 5.050 4.239 3.923 4.484 . 0 0 "[ . 1 . 2]" 1
2734 1 107 TYR HA 1 107 TYR HB2 . . 3.030 2.228 2.198 2.271 . 0 0 "[ . 1 . 2]" 1
2735 1 107 TYR HA 1 107 TYR QD . . 3.210 3.005 2.867 3.240 0.030 14 0 "[ . 1 . 2]" 1
2736 1 107 TYR HB3 1 108 TYR H . . 3.560 2.846 2.699 3.035 . 0 0 "[ . 1 . 2]" 1
2737 1 107 TYR QD 1 108 TYR H . . 3.540 2.921 2.495 3.207 . 0 0 "[ . 1 . 2]" 1
2738 1 107 TYR QD 1 108 TYR QD . . 3.970 3.485 3.179 3.659 . 0 0 "[ . 1 . 2]" 1
2739 1 107 TYR QD 1 108 TYR QE . . 3.440 3.558 3.546 3.575 0.135 16 0 "[ . 1 . 2]" 1
2740 1 107 TYR QD 1 109 ASP H . . 5.500 5.301 5.090 5.498 . 0 0 "[ . 1 . 2]" 1
2741 1 107 TYR QD 1 111 ARG QG . . 4.590 4.556 4.301 4.692 0.102 15 0 "[ . 1 . 2]" 1
2742 1 107 TYR QE 1 108 TYR H . . 4.290 4.171 3.900 4.344 0.054 16 0 "[ . 1 . 2]" 1
2743 1 107 TYR QE 1 108 TYR HA . . 3.340 3.435 3.422 3.449 0.109 18 0 "[ . 1 . 2]" 1
2744 1 107 TYR QE 1 108 TYR QD . . 3.420 3.376 3.090 3.515 0.095 4 0 "[ . 1 . 2]" 1
2745 1 107 TYR QE 1 108 TYR QE . . 2.940 2.899 2.769 2.968 0.028 15 0 "[ . 1 . 2]" 1
2746 1 107 TYR QE 1 111 ARG HB2 . . 5.500 5.278 5.047 5.544 0.044 13 0 "[ . 1 . 2]" 1
2747 1 107 TYR QE 1 111 ARG QD . . 5.200 4.150 3.154 4.829 . 0 0 "[ . 1 . 2]" 1
2748 1 107 TYR QE 1 111 ARG QG . . 4.500 3.385 3.104 3.822 . 0 0 "[ . 1 . 2]" 1
2749 1 108 TYR H 1 108 TYR HB2 . . 3.190 2.375 2.309 2.553 . 0 0 "[ . 1 . 2]" 1
2750 1 108 TYR H 1 108 TYR HB3 . . 3.600 3.520 3.448 3.594 . 0 0 "[ . 1 . 2]" 1
2751 1 108 TYR H 1 108 TYR QD . . 3.180 2.987 2.882 3.119 . 0 0 "[ . 1 . 2]" 1
2752 1 108 TYR H 1 108 TYR QE . . 4.780 4.623 4.460 4.781 0.001 12 0 "[ . 1 . 2]" 1
2753 1 108 TYR H 1 109 ASP H . . 3.360 2.934 2.776 3.100 . 0 0 "[ . 1 . 2]" 1
2754 1 108 TYR H 1 109 ASP HA . . 5.380 5.090 4.906 5.263 . 0 0 "[ . 1 . 2]" 1
2755 1 108 TYR H 1 110 GLY H . . 4.990 5.003 4.919 5.067 0.077 9 0 "[ . 1 . 2]" 1
2756 1 108 TYR H 1 111 ARG QD . . 5.500 5.408 5.011 5.607 0.107 11 0 "[ . 1 . 2]" 1
2757 1 108 TYR H 1 111 ARG QG . . 5.500 4.445 4.335 4.610 . 0 0 "[ . 1 . 2]" 1
2758 1 108 TYR HA 1 108 TYR QD . . 2.760 2.586 2.416 2.709 . 0 0 "[ . 1 . 2]" 1
2759 1 108 TYR HA 1 108 TYR QE . . 4.640 4.563 4.386 4.701 0.061 7 0 "[ . 1 . 2]" 1
2760 1 108 TYR HA 1 109 ASP HA . . 5.350 5.387 5.297 5.420 0.070 5 0 "[ . 1 . 2]" 1
2761 1 108 TYR HA 1 110 GLY H . . 3.960 3.955 3.762 4.044 0.084 3 0 "[ . 1 . 2]" 1
2762 1 108 TYR HA 1 111 ARG H . . 4.000 3.641 3.413 3.738 . 0 0 "[ . 1 . 2]" 1
2763 1 108 TYR HA 1 111 ARG HB2 . . 4.410 4.489 4.471 4.499 0.089 16 0 "[ . 1 . 2]" 1
2764 1 108 TYR HA 1 111 ARG HB3 . . 4.880 4.944 4.896 4.969 0.089 8 0 "[ . 1 . 2]" 1
2765 1 108 TYR HA 1 111 ARG QD . . 3.990 3.020 2.648 3.268 . 0 0 "[ . 1 . 2]" 1
2766 1 108 TYR HA 1 111 ARG QG . . 4.230 2.013 1.951 2.051 . 0 0 "[ . 1 . 2]" 1
2767 1 108 TYR HA 1 112 ARG H . . 4.830 4.826 4.602 4.904 0.074 19 0 "[ . 1 . 2]" 1
2768 1 108 TYR HB2 1 109 ASP H . . 3.820 2.291 2.114 2.538 . 0 0 "[ . 1 . 2]" 1
2769 1 108 TYR HB3 1 109 ASP H . . 3.900 3.105 2.927 3.327 . 0 0 "[ . 1 . 2]" 1
2770 1 108 TYR HB3 1 111 ARG H . . 5.500 3.044 2.728 3.499 . 0 0 "[ . 1 . 2]" 1
2771 1 108 TYR HB3 1 111 ARG HB2 . . 5.490 4.391 4.143 4.620 . 0 0 "[ . 1 . 2]" 1
2772 1 108 TYR HB3 1 111 ARG QG . . 5.050 2.600 2.333 2.938 . 0 0 "[ . 1 . 2]" 1
2773 1 108 TYR QD 1 109 ASP H . . 5.020 4.195 3.960 4.420 . 0 0 "[ . 1 . 2]" 1
2774 1 108 TYR QD 1 110 GLY H . . 4.540 4.569 4.416 4.636 0.096 14 0 "[ . 1 . 2]" 1
2775 1 108 TYR QD 1 111 ARG H . . 4.690 3.994 3.733 4.205 . 0 0 "[ . 1 . 2]" 1
2776 1 108 TYR QD 1 111 ARG HA . . 5.500 4.377 4.249 4.623 . 0 0 "[ . 1 . 2]" 1
2777 1 108 TYR QD 1 111 ARG HB2 . . 4.750 2.841 2.646 3.066 . 0 0 "[ . 1 . 2]" 1
2778 1 108 TYR QD 1 111 ARG HB3 . . 4.750 4.117 3.926 4.323 . 0 0 "[ . 1 . 2]" 1
2779 1 108 TYR QD 1 111 ARG QG . . 4.440 2.023 1.903 2.167 . 0 0 "[ . 1 . 2]" 1
2780 1 108 TYR QD 1 112 ARG HB3 . . 5.190 3.240 2.560 4.289 . 0 0 "[ . 1 . 2]" 1
2781 1 109 ASP H 1 109 ASP QB . . 3.070 2.848 2.720 2.987 . 0 0 "[ . 1 . 2]" 1
2782 1 109 ASP H 1 110 GLY H . . 3.360 2.897 2.764 3.038 . 0 0 "[ . 1 . 2]" 1
2783 1 109 ASP H 1 110 GLY QA . . 4.720 4.811 4.787 4.825 0.105 19 0 "[ . 1 . 2]" 1
2784 1 109 ASP H 1 111 ARG H . . 4.940 4.577 4.320 4.747 . 0 0 "[ . 1 . 2]" 1
2785 1 109 ASP H 1 111 ARG QG . . 5.500 4.571 4.450 4.761 . 0 0 "[ . 1 . 2]" 1
2786 1 109 ASP H 1 112 ARG HA . . 5.400 5.346 4.678 5.475 0.075 1 0 "[ . 1 . 2]" 1
2787 1 109 ASP H 1 112 ARG QG . . 5.500 4.357 3.972 4.636 . 0 0 "[ . 1 . 2]" 1
2788 1 109 ASP HA 1 110 GLY H . . 3.400 3.059 2.829 3.357 . 0 0 "[ . 1 . 2]" 1
2789 1 109 ASP HA 1 110 GLY QA . . 4.730 4.120 3.942 4.230 . 0 0 "[ . 1 . 2]" 1
2790 1 109 ASP HA 1 111 ARG H . . 5.240 5.067 4.802 5.288 0.048 7 0 "[ . 1 . 2]" 1
2791 1 109 ASP HA 1 112 ARG HB3 . . 4.830 4.653 4.058 4.894 0.064 3 0 "[ . 1 . 2]" 1
2792 1 109 ASP HA 1 112 ARG QG . . 5.020 4.379 3.924 4.769 . 0 0 "[ . 1 . 2]" 1
2793 1 109 ASP QB 1 110 GLY H . . 4.200 3.764 3.374 3.942 . 0 0 "[ . 1 . 2]" 1
2794 1 109 ASP QB 1 110 GLY QA . . 4.610 4.167 3.769 4.417 . 0 0 "[ . 1 . 2]" 1
2795 1 109 ASP QB 1 111 ARG H . . 5.300 4.682 4.191 5.010 . 0 0 "[ . 1 . 2]" 1
2796 1 110 GLY H 1 110 GLY QA . . 2.750 2.495 2.452 2.526 . 0 0 "[ . 1 . 2]" 1
2797 1 110 GLY H 1 111 ARG HA . . 5.500 4.533 4.317 4.728 . 0 0 "[ . 1 . 2]" 1
2798 1 110 GLY H 1 111 ARG HB3 . . 5.500 5.236 4.975 5.483 . 0 0 "[ . 1 . 2]" 1
2799 1 110 GLY H 1 111 ARG QG . . 5.310 3.548 3.124 3.976 . 0 0 "[ . 1 . 2]" 1
2800 1 110 GLY H 1 112 ARG H . . 4.940 2.684 2.508 2.799 . 0 0 "[ . 1 . 2]" 1
2801 1 110 GLY H 1 113 SER H . . 4.960 5.017 4.873 5.049 0.089 3 0 "[ . 1 . 2]" 1
2802 1 110 GLY QA 1 111 ARG H . . 3.420 2.595 2.360 2.781 . 0 0 "[ . 1 . 2]" 1
2803 1 110 GLY QA 1 111 ARG HA . . 4.310 4.032 3.987 4.115 . 0 0 "[ . 1 . 2]" 1
2804 1 110 GLY QA 1 111 ARG HB2 . . 5.500 5.578 5.460 5.607 0.107 17 0 "[ . 1 . 2]" 1
2805 1 110 GLY QA 1 111 ARG HB3 . . 5.310 4.750 4.570 4.890 . 0 0 "[ . 1 . 2]" 1
2806 1 110 GLY QA 1 111 ARG QD . . 5.070 3.798 3.114 4.333 . 0 0 "[ . 1 . 2]" 1
2807 1 110 GLY QA 1 111 ARG QG . . 4.970 4.422 4.192 4.824 . 0 0 "[ . 1 . 2]" 1
2808 1 110 GLY QA 1 112 ARG H . . 5.000 3.323 3.072 3.710 . 0 0 "[ . 1 . 2]" 1
2809 1 111 ARG H 1 111 ARG HB2 . . 3.600 3.618 3.559 3.685 0.085 13 0 "[ . 1 . 2]" 1
2810 1 111 ARG H 1 111 ARG QD . . 4.500 2.322 1.925 2.539 . 0 0 "[ . 1 . 2]" 1
2811 1 111 ARG H 1 111 ARG QG . . 3.490 2.195 1.979 2.498 . 0 0 "[ . 1 . 2]" 1
2812 1 111 ARG H 1 112 ARG H . . 3.340 2.923 2.742 3.084 . 0 0 "[ . 1 . 2]" 1
2813 1 111 ARG H 1 112 ARG HA . . 5.210 4.966 4.747 5.194 . 0 0 "[ . 1 . 2]" 1
2814 1 111 ARG H 1 112 ARG QG . . 5.500 4.401 3.925 5.119 . 0 0 "[ . 1 . 2]" 1
2815 1 111 ARG H 1 113 SER H . . 5.000 5.062 4.954 5.093 0.093 16 0 "[ . 1 . 2]" 1
2816 1 111 ARG HA 1 111 ARG HB2 . . 3.050 2.552 2.398 2.653 . 0 0 "[ . 1 . 2]" 1
2817 1 111 ARG HA 1 111 ARG QD . . 3.760 3.799 3.666 3.846 0.086 20 0 "[ . 1 . 2]" 1
2818 1 111 ARG HA 1 111 ARG QG . . 3.450 3.463 3.421 3.501 0.051 11 0 "[ . 1 . 2]" 1
2819 1 111 ARG HA 1 112 ARG H . . 2.950 3.011 2.961 3.034 0.084 5 0 "[ . 1 . 2]" 1
2820 1 111 ARG HA 1 112 ARG QG . . 5.340 4.615 4.350 5.185 . 0 0 "[ . 1 . 2]" 1
2821 1 111 ARG HA 1 113 SER H . . 4.510 3.673 3.344 3.854 . 0 0 "[ . 1 . 2]" 1
2822 1 111 ARG HB2 1 111 ARG QD . . 3.420 3.328 3.143 3.483 0.063 8 0 "[ . 1 . 2]" 1
2823 1 111 ARG HB2 1 111 ARG HE . . 5.490 3.919 3.117 4.964 . 0 0 "[ . 1 . 2]" 1
2824 1 111 ARG HB2 1 112 ARG H . . 4.360 4.356 4.298 4.411 0.051 1 0 "[ . 1 . 2]" 1
2825 1 111 ARG HB3 1 111 ARG QD . . 3.390 2.258 2.072 2.595 . 0 0 "[ . 1 . 2]" 1
2826 1 111 ARG HB3 1 111 ARG HE . . 4.980 3.461 2.399 4.622 . 0 0 "[ . 1 . 2]" 1
2827 1 111 ARG HB3 1 111 ARG QG . . 2.600 2.516 2.469 2.558 . 0 0 "[ . 1 . 2]" 1
2828 1 111 ARG QD 1 112 ARG H . . 5.360 4.803 4.521 4.968 . 0 0 "[ . 1 . 2]" 1
2829 1 111 ARG QG 1 112 ARG H . . 4.360 3.740 3.579 3.968 . 0 0 "[ . 1 . 2]" 1
2830 1 111 ARG QG 1 112 ARG HA . . 5.010 4.302 4.057 4.472 . 0 0 "[ . 1 . 2]" 1
2831 1 111 ARG QG 1 113 SER H . . 5.500 5.508 5.301 5.590 0.090 13 0 "[ . 1 . 2]" 1
2832 1 112 ARG H 1 112 ARG HB2 . . 3.540 3.602 3.575 3.627 0.087 9 0 "[ . 1 . 2]" 1
2833 1 112 ARG H 1 112 ARG HB3 . . 3.210 2.660 2.495 2.866 . 0 0 "[ . 1 . 2]" 1
2834 1 112 ARG H 1 112 ARG QD . . 4.730 3.549 1.571 4.058 . 0 0 "[ . 1 . 2]" 1
2835 1 112 ARG H 1 112 ARG QG . . 3.640 2.058 1.751 2.847 . 0 0 "[ . 1 . 2]" 1
2836 1 112 ARG H 1 113 SER H . . 3.670 2.431 2.303 2.542 . 0 0 "[ . 1 . 2]" 1
2837 1 112 ARG H 1 113 SER HA . . 4.770 4.764 4.619 4.858 0.088 19 0 "[ . 1 . 2]" 1
2838 1 112 ARG HA 1 112 ARG QD . . 3.670 3.739 3.590 3.775 0.105 4 0 "[ . 1 . 2]" 1
2839 1 112 ARG HA 1 112 ARG QG . . 3.620 3.464 3.411 3.488 . 0 0 "[ . 1 . 2]" 1
2840 1 112 ARG HA 1 113 SER QB . . 4.910 4.445 3.908 4.805 . 0 0 "[ . 1 . 2]" 1
2841 1 112 ARG HB2 1 112 ARG QD . . 3.890 2.369 2.113 3.384 . 0 0 "[ . 1 . 2]" 1
2842 1 112 ARG HB2 1 112 ARG HE . . 5.340 3.527 2.464 5.097 . 0 0 "[ . 1 . 2]" 1
2843 1 112 ARG HB2 1 113 SER H . . 3.900 3.887 3.699 3.991 0.091 13 0 "[ . 1 . 2]" 1
2844 1 112 ARG HB3 1 112 ARG QD . . 3.380 3.296 2.352 3.452 0.072 12 0 "[ . 1 . 2]" 1
2845 1 112 ARG HB3 1 112 ARG QG . . 2.640 2.136 2.095 2.239 . 0 0 "[ . 1 . 2]" 1
2846 1 112 ARG HB3 1 113 SER H . . 4.130 4.022 3.805 4.206 0.076 4 0 "[ . 1 . 2]" 1
2847 1 112 ARG QD 1 113 SER H . . 5.200 2.729 2.216 3.396 . 0 0 "[ . 1 . 2]" 1
2848 1 112 ARG QD 1 113 SER HA . . 4.630 3.496 2.774 4.405 . 0 0 "[ . 1 . 2]" 1
2849 1 112 ARG QD 1 113 SER QB . . 4.640 3.588 1.997 4.502 . 0 0 "[ . 1 . 2]" 1
2850 1 112 ARG QD 1 114 SER QB . . 4.890 4.388 3.154 5.001 0.111 17 0 "[ . 1 . 2]" 1
2851 1 112 ARG QG 1 113 SER H . . 4.810 2.467 2.019 3.121 . 0 0 "[ . 1 . 2]" 1
2852 1 112 ARG QG 1 113 SER HA . . 5.030 4.303 3.429 4.918 . 0 0 "[ . 1 . 2]" 1
2853 1 113 SER H 1 113 SER QB . . 3.460 3.040 1.870 3.346 . 0 0 "[ . 1 . 2]" 1
2854 1 113 SER H 1 114 SER H . . 4.020 3.567 2.509 4.113 0.093 2 0 "[ . 1 . 2]" 1
2855 1 113 SER H 1 114 SER HA . . 5.500 5.197 4.089 5.578 0.078 13 0 "[ . 1 . 2]" 1
2856 1 113 SER HA 1 114 SER H . . 3.150 2.221 1.987 3.231 0.081 11 0 "[ . 1 . 2]" 1
2857 1 113 SER HA 1 114 SER QB . . 4.330 4.217 3.834 4.438 0.108 18 0 "[ . 1 . 2]" 1
2858 1 113 SER QB 1 114 SER H . . 4.380 3.639 3.043 4.007 . 0 0 "[ . 1 . 2]" 1
2859 1 114 SER H 1 114 SER QB . . 3.800 2.842 2.010 3.453 . 0 0 "[ . 1 . 2]" 1
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