NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540971 |
2lln   |
18081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lln
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 1964
_Distance_constraint_stats_list.Viol_count 3121
_Distance_constraint_stats_list.Viol_total 5068.122
_Distance_constraint_stats_list.Viol_max 0.994
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0812
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 0.187 0.094 15 0 "[ . 1 . 2]"
1 3 ILE 0.195 0.094 15 0 "[ . 1 . 2]"
1 4 PRO 2.602 0.882 20 2 "[ . 1 -. +]"
1 5 ALA 0.184 0.078 2 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.155 0.153 4 0 "[ . 1 . 2]"
1 8 LEU 1.763 0.153 4 0 "[ . 1 . 2]"
1 9 GLU 9.140 0.882 20 7 "[ -*. 1** ** +]"
1 10 ARG 5.254 0.829 12 5 "[ - . 1 + ** *]"
1 11 VAL 0.700 0.311 19 0 "[ . 1 . 2]"
1 12 ASP 1.836 0.373 5 0 "[ . 1 . 2]"
1 14 THR 0.111 0.056 19 0 "[ . 1 . 2]"
1 15 THR 3.285 0.196 14 0 "[ . 1 . 2]"
1 16 VAL 8.640 0.373 5 0 "[ . 1 . 2]"
1 17 ARG 8.910 0.514 20 2 "[ . 1 - . +]"
1 18 GLN 4.408 0.633 6 4 "[* .+ 1 - * 2]"
1 19 GLU 8.973 0.776 10 1 "[ . + . 2]"
1 20 GLY 10.838 0.776 10 2 "[ . + . -2]"
1 21 PRO 8.924 0.320 17 0 "[ . 1 . 2]"
1 22 TRP 18.954 0.743 19 2 "[ . 1 - +2]"
1 23 ALA 4.370 0.312 10 0 "[ . 1 . 2]"
1 24 ASP 0.737 0.132 18 0 "[ . 1 . 2]"
1 25 PRO 0.014 0.014 5 0 "[ . 1 . 2]"
1 26 ALA 0.319 0.061 13 0 "[ . 1 . 2]"
1 27 GLN 0.760 0.109 10 0 "[ . 1 . 2]"
1 28 ALA 1.495 0.148 20 0 "[ . 1 . 2]"
1 29 VAL 1.943 0.568 15 1 "[ . 1 + 2]"
1 30 VAL 5.636 0.378 16 0 "[ . 1 . 2]"
1 31 GLN 4.719 0.559 5 1 "[ + 1 . 2]"
1 32 THR 2.056 0.282 5 0 "[ . 1 . 2]"
1 33 GLY 3.121 0.559 5 1 "[ + 1 . 2]"
1 35 ASN 1.548 0.805 11 1 "[ . 1+ . 2]"
1 36 GLN 7.266 0.908 11 3 "[ . *+ . * 2]"
1 37 TYR 6.716 0.788 18 3 "[ . *- . + 2]"
1 38 THR 4.844 0.291 20 0 "[ . 1 . 2]"
1 39 VAL 3.587 0.403 16 0 "[ . 1 . 2]"
1 40 TYR 2.232 0.149 3 0 "[ . 1 . 2]"
1 41 VAL 3.944 0.258 20 0 "[ . 1 . 2]"
1 42 LEU 5.434 0.602 15 1 "[ . 1 + 2]"
1 43 ALA 1.879 0.154 3 0 "[ . 1 . 2]"
1 44 PHE 6.725 0.352 13 0 "[ . 1 . 2]"
1 45 ALA 3.922 0.352 13 0 "[ . 1 . 2]"
1 46 PHE 2.175 0.166 8 0 "[ . 1 . 2]"
1 47 GLY 0.064 0.047 19 0 "[ . 1 . 2]"
1 48 TYR 1.070 0.098 9 0 "[ . 1 . 2]"
1 49 GLN 0.792 0.095 3 0 "[ . 1 . 2]"
1 50 PRO 3.432 0.169 11 0 "[ . 1 . 2]"
1 51 ASN 10.154 0.604 9 7 "[*-**. * +* . 2]"
1 52 PRO 11.476 0.604 9 7 "[*-**. * +* . 2]"
1 53 ILE 9.658 0.667 15 7 "[ ** * 1 * + ** 2]"
1 54 GLU 3.749 0.568 15 1 "[ . 1 + 2]"
1 55 VAL 3.113 0.353 14 0 "[ . 1 . 2]"
1 56 PRO 1.902 0.181 8 0 "[ . 1 . 2]"
1 57 GLN 8.980 0.820 17 1 "[ . 1 . + 2]"
1 58 GLY 3.817 0.475 18 0 "[ . 1 . 2]"
1 59 ALA 3.027 0.320 11 0 "[ . 1 . 2]"
1 60 GLU 3.229 0.908 11 1 "[ . 1+ . 2]"
1 61 ILE 5.890 0.386 16 0 "[ . 1 . 2]"
1 62 VAL 3.889 0.685 11 1 "[ . 1+ . 2]"
1 63 PHE 8.415 0.403 16 0 "[ . 1 . 2]"
1 64 LYS 3.104 0.192 8 0 "[ . 1 . 2]"
1 65 ILE 9.707 0.192 8 0 "[ . 1 . 2]"
1 66 THR 6.159 0.439 7 0 "[ . 1 . 2]"
1 67 SER 11.086 0.459 7 0 "[ . 1 . 2]"
1 68 PRO 2.991 0.365 7 0 "[ . 1 . 2]"
1 69 ASP 3.307 0.967 15 1 "[ . 1 + 2]"
1 70 VAL 6.636 0.967 15 1 "[ . 1 + 2]"
1 71 ILE 5.076 0.795 15 1 "[ . 1 + 2]"
1 73 GLY 1.849 0.197 18 0 "[ . 1 . 2]"
1 74 PHE 8.760 0.165 8 0 "[ . 1 . 2]"
1 75 HIS 0.380 0.139 13 0 "[ . 1 . 2]"
1 76 VAL 1.999 0.515 18 1 "[ . 1 . + 2]"
1 77 GLU 4.791 0.373 10 0 "[ . 1 . 2]"
1 78 GLY 4.502 0.373 10 0 "[ . 1 . 2]"
1 79 THR 0.710 0.102 7 0 "[ . 1 . 2]"
1 80 ASN 0.021 0.020 7 0 "[ . 1 . 2]"
1 81 ILE 19.250 0.883 13 9 "[* * * 1**+ * * -]"
1 82 ASN 13.141 0.883 13 7 "[* * - 1 *+ * * 2]"
1 83 VAL 5.661 0.315 12 0 "[ . 1 . 2]"
1 84 GLU 0.706 0.057 18 0 "[ . 1 . 2]"
1 85 VAL 2.681 0.197 18 0 "[ . 1 . 2]"
1 86 LEU 1.075 0.188 12 0 "[ . 1 . 2]"
1 87 PRO 0.816 0.135 15 0 "[ . 1 . 2]"
1 88 GLY 1.678 0.137 15 0 "[ . 1 . 2]"
1 89 GLU 1.219 0.111 19 0 "[ . 1 . 2]"
1 90 VAL 0.660 0.106 2 0 "[ . 1 . 2]"
1 91 SER 0.907 0.096 12 0 "[ . 1 . 2]"
1 92 THR 3.403 0.278 5 0 "[ . 1 . 2]"
1 93 VAL 1.872 0.182 15 0 "[ . 1 . 2]"
1 94 ARG 0.523 0.058 5 0 "[ . 1 . 2]"
1 95 TYR 9.798 0.842 20 4 "[ * 1* * . +]"
1 96 THR 2.344 0.320 11 0 "[ . 1 . 2]"
1 97 PHE 6.402 0.623 18 1 "[ . 1 . + 2]"
1 98 LYS 11.711 0.944 19 8 "[ * * * ** . -+*]"
1 99 ARG 10.964 0.944 19 8 "[ * * - ** . *+*]"
1 100 PRO 2.678 0.818 17 1 "[ . 1 . + 2]"
1 101 GLY 0.486 0.164 7 0 "[ . 1 . 2]"
1 102 GLU 0.398 0.067 10 0 "[ . 1 . 2]"
1 103 TYR 2.162 0.259 7 0 "[ . 1 . 2]"
1 104 ARG 0.359 0.103 7 0 "[ . 1 . 2]"
1 105 ILE 3.324 0.922 12 2 "[ . -1 + . 2]"
1 106 ILE 3.604 0.620 3 1 "[ + . 1 . 2]"
1 109 GLN 3.884 0.793 6 3 "[ * .+ -1 . 2]"
1 110 TYR 1.883 0.793 6 1 "[ .+ 1 . 2]"
1 111 CYS 0.795 0.508 9 1 "[ . +1 . 2]"
1 112 GLY 0.311 0.160 14 0 "[ . 1 . 2]"
1 113 LEU 4.351 0.994 7 3 "[ . + 1 * . -]"
1 114 GLY 3.054 0.994 7 3 "[ . + 1 * . -]"
1 117 ASN 1.609 0.112 12 0 "[ . 1 . 2]"
1 118 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 PHE 1.410 0.282 9 0 "[ . 1 . 2]"
1 120 GLY 3.056 0.922 12 2 "[ . -1 + . 2]"
1 121 THR 3.848 0.552 15 1 "[ . 1 + 2]"
1 122 ILE 8.119 0.627 16 2 "[ .- 1 .+ 2]"
1 123 VAL 3.282 0.627 16 2 "[ .- 1 .+ 2]"
1 124 VAL 2.459 0.185 18 0 "[ . 1 . 2]"
1 125 LYS 2.681 0.353 14 0 "[ . 1 . 2]"
1 126 GLU 2.044 0.820 17 1 "[ . 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 MET QB 1 2 VAL H . . 3.720 2.724 2.048 3.593 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 3 ILE H . . 4.940 3.780 2.920 4.589 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 3 ILE H . . 2.750 2.359 2.145 2.844 0.094 15 0 "[ . 1 . 2]" 1
4 1 2 VAL HA 1 3 ILE HA . . 5.500 4.411 4.347 4.490 . 0 0 "[ . 1 . 2]" 1
5 1 2 VAL HB 1 3 ILE H . . 4.990 4.134 2.983 4.606 . 0 0 "[ . 1 . 2]" 1
6 1 2 VAL QG 1 3 ILE H . . 5.020 3.367 2.525 3.730 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL QG 1 10 ARG H . . 4.840 4.163 3.104 4.777 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL QG 1 10 ARG HB2 . . 3.660 3.000 2.635 3.520 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL QG 1 10 ARG QD . . 4.600 4.273 3.823 4.538 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL QG 1 10 ARG QG . . 3.900 3.140 2.276 3.858 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL QG 1 12 ASP QB . . 4.480 3.145 1.873 3.866 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE H 1 3 ILE HB . . 3.970 3.779 3.663 3.916 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE H 1 3 ILE MD . . 5.080 3.789 1.912 4.121 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE H 1 3 ILE QG . . 4.330 2.210 1.892 2.481 . 0 0 "[ . 1 . 2]" 1
15 1 3 ILE H 1 4 PRO QD . . 5.500 3.506 2.924 4.377 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE HA 1 3 ILE MG . . 3.600 2.210 2.097 2.370 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE HA 1 4 PRO QD . . 2.990 2.013 1.955 2.087 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE HA 1 10 ARG HB2 . . 5.030 4.550 2.836 5.035 0.005 1 0 "[ . 1 . 2]" 1
19 1 3 ILE HB 1 4 PRO QD . . 4.160 3.397 1.955 4.021 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE QG 1 3 ILE MG . . 3.230 2.209 2.061 2.471 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE QG 1 4 PRO HA . . 4.800 4.567 4.512 4.664 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE QG 1 4 PRO QD . . 5.500 4.034 3.574 4.216 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE MG 1 4 PRO QD . . 3.890 3.387 2.830 3.671 . 0 0 "[ . 1 . 2]" 1
24 1 4 PRO HA 1 5 ALA H . . 2.560 2.564 2.536 2.638 0.078 2 0 "[ . 1 . 2]" 1
25 1 4 PRO HA 1 5 ALA MB . . 4.360 3.841 3.683 4.072 . 0 0 "[ . 1 . 2]" 1
26 1 4 PRO HB2 1 5 ALA H . . 4.310 2.231 2.071 2.291 . 0 0 "[ . 1 . 2]" 1
27 1 4 PRO HB2 1 5 ALA HA . . 4.450 4.058 3.853 4.449 . 0 0 "[ . 1 . 2]" 1
28 1 4 PRO HB2 1 10 ARG QD . . 4.010 3.962 3.588 4.021 0.011 2 0 "[ . 1 . 2]" 1
29 1 4 PRO HB3 1 5 ALA H . . 3.290 3.274 3.208 3.299 0.009 1 0 "[ . 1 . 2]" 1
30 1 4 PRO HB3 1 10 ARG H . . 5.140 4.206 2.269 5.166 0.026 17 0 "[ . 1 . 2]" 1
31 1 4 PRO QD 1 10 ARG H . . 5.170 2.845 1.940 3.590 . 0 0 "[ . 1 . 2]" 1
32 1 4 PRO QD 1 10 ARG HB2 . . 3.830 2.684 2.088 3.671 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO QD 1 10 ARG QD . . 5.500 3.672 2.374 4.813 . 0 0 "[ . 1 . 2]" 1
34 1 4 PRO HG2 1 5 ALA H . . 4.940 4.107 3.957 4.160 . 0 0 "[ . 1 . 2]" 1
35 1 4 PRO HG2 1 9 GLU HA . . 3.870 3.467 2.405 4.752 0.882 20 2 "[ . 1 -. +]" 1
36 1 4 PRO HG3 1 10 ARG H . . 5.320 2.846 1.945 3.875 . 0 0 "[ . 1 . 2]" 1
37 1 5 ALA H 1 5 ALA MB . . 3.330 2.669 2.224 2.892 . 0 0 "[ . 1 . 2]" 1
38 1 5 ALA MB 1 6 GLY H . . 4.650 3.003 2.071 3.723 . 0 0 "[ . 1 . 2]" 1
39 1 5 ALA MB 1 6 GLY HA2 . . 5.140 4.260 3.648 4.941 . 0 0 "[ . 1 . 2]" 1
40 1 5 ALA MB 1 6 GLY QA . . 5.150 3.685 3.342 3.971 . 0 0 "[ . 1 . 2]" 1
41 1 5 ALA MB 1 6 GLY HA3 . . 5.120 4.092 3.698 4.686 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLY H 1 7 LYS H . . 4.550 3.124 1.899 4.336 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLY QA 1 7 LYS H . . 3.500 2.513 2.109 2.878 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLY HA2 1 7 LYS QB . . 5.500 4.541 3.734 5.336 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS H 1 7 LYS QD . . 5.180 4.665 3.999 5.166 . 0 0 "[ . 1 . 2]" 1
46 1 7 LYS H 1 7 LYS QG . . 4.720 3.714 2.514 4.428 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS HA 1 8 LEU H . . 2.830 2.405 2.141 2.760 . 0 0 "[ . 1 . 2]" 1
48 1 7 LYS HA 1 8 LEU QD . . 5.170 4.754 3.854 4.999 . 0 0 "[ . 1 . 2]" 1
49 1 7 LYS QB 1 8 LEU QD . . 3.750 3.351 2.033 3.623 . 0 0 "[ . 1 . 2]" 1
50 1 7 LYS QD 1 8 LEU H . . 3.300 2.585 2.034 3.301 0.001 14 0 "[ . 1 . 2]" 1
51 1 7 LYS QE 1 8 LEU HA . . 4.700 4.384 3.322 4.853 0.153 4 0 "[ . 1 . 2]" 1
52 1 7 LYS QG 1 8 LEU H . . 4.680 3.200 1.972 4.062 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU H 1 8 LEU HA . . 2.890 2.404 2.272 2.816 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU H 1 8 LEU QB . . 2.830 2.794 2.319 2.968 0.138 17 0 "[ . 1 . 2]" 1
55 1 8 LEU H 1 8 LEU QD . . 4.410 3.603 2.446 4.075 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU HA 1 8 LEU QB . . 2.790 2.180 2.136 2.503 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU HA 1 9 GLU H . . 2.660 2.455 2.141 2.731 0.071 16 0 "[ . 1 . 2]" 1
58 1 8 LEU QB 1 9 GLU H . . 3.640 2.625 1.937 3.682 0.042 17 0 "[ . 1 . 2]" 1
59 1 8 LEU QB 1 92 THR HB . . 5.440 4.439 3.470 5.483 0.043 1 0 "[ . 1 . 2]" 1
60 1 8 LEU QD 1 9 GLU H . . 4.280 2.257 1.997 3.406 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU QD 1 10 ARG QD . . 4.950 2.252 1.858 3.438 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU QD 1 89 GLU QB . . 4.400 2.626 1.969 3.631 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU QD 1 90 VAL H . . 5.250 2.879 1.993 4.936 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU QD 1 91 SER HA . . 4.720 3.265 1.954 3.826 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU QD 1 92 THR H . . 5.290 4.152 2.636 4.812 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU HG 1 10 ARG HA . . 5.340 5.132 4.321 5.365 0.025 15 0 "[ . 1 . 2]" 1
67 1 8 LEU HG 1 10 ARG QD . . 3.590 3.202 2.736 3.507 . 0 0 "[ . 1 . 2]" 1
68 1 9 GLU H 1 9 GLU QB . . 3.820 2.708 2.176 3.102 . 0 0 "[ . 1 . 2]" 1
69 1 9 GLU H 1 9 GLU HG2 . . 4.480 3.230 2.053 4.517 0.037 1 0 "[ . 1 . 2]" 1
70 1 9 GLU H 1 9 GLU HG3 . . 4.390 3.394 2.194 4.416 0.026 17 0 "[ . 1 . 2]" 1
71 1 9 GLU H 1 90 VAL QG . . 5.250 3.087 1.898 4.623 . 0 0 "[ . 1 . 2]" 1
72 1 9 GLU HA 1 9 GLU HG3 . . 3.570 3.397 2.459 4.181 0.611 3 3 "[ +-. 1* . 2]" 1
73 1 9 GLU HA 1 10 ARG H . . 2.740 2.188 2.140 2.262 . 0 0 "[ . 1 . 2]" 1
74 1 9 GLU HA 1 10 ARG HA . . 4.380 4.368 4.348 4.393 0.013 17 0 "[ . 1 . 2]" 1
75 1 9 GLU HA 1 10 ARG QD . . 4.370 3.810 3.545 4.400 0.030 19 0 "[ . 1 . 2]" 1
76 1 9 GLU QB 1 10 ARG H . . 3.880 3.138 2.740 3.849 . 0 0 "[ . 1 . 2]" 1
77 1 9 GLU QB 1 90 VAL QG . . 4.240 3.021 1.767 4.100 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLU HG2 1 90 VAL QG . . 4.650 3.238 2.015 4.426 . 0 0 "[ . 1 . 2]" 1
79 1 9 GLU HG3 1 10 ARG H . . 4.500 4.225 2.406 5.329 0.829 12 5 "[ - . 1 + ** *]" 1
80 1 9 GLU HG3 1 90 VAL QG . . 4.790 3.070 1.907 4.513 . 0 0 "[ . 1 . 2]" 1
81 1 10 ARG H 1 10 ARG HB3 . . 3.600 3.375 3.179 3.494 . 0 0 "[ . 1 . 2]" 1
82 1 10 ARG H 1 10 ARG QD . . 4.130 2.942 2.592 3.382 . 0 0 "[ . 1 . 2]" 1
83 1 10 ARG H 1 10 ARG QG . . 3.890 3.901 3.798 4.045 0.155 19 0 "[ . 1 . 2]" 1
84 1 10 ARG H 1 11 VAL H . . 4.890 4.524 4.377 4.588 . 0 0 "[ . 1 . 2]" 1
85 1 10 ARG H 1 11 VAL QG . . 5.500 4.242 3.949 4.506 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG H 1 90 VAL QG . . 5.500 4.504 4.161 4.973 . 0 0 "[ . 1 . 2]" 1
87 1 10 ARG HA 1 10 ARG QD . . 3.640 2.675 2.229 2.855 . 0 0 "[ . 1 . 2]" 1
88 1 10 ARG HA 1 11 VAL H . . 2.970 2.249 2.141 2.457 . 0 0 "[ . 1 . 2]" 1
89 1 10 ARG HA 1 11 VAL QG . . 4.620 3.182 3.010 3.331 . 0 0 "[ . 1 . 2]" 1
90 1 10 ARG HA 1 89 GLU H . . 5.430 5.258 4.982 5.541 0.111 19 0 "[ . 1 . 2]" 1
91 1 10 ARG HA 1 89 GLU HA . . 4.760 2.463 2.145 2.716 . 0 0 "[ . 1 . 2]" 1
92 1 10 ARG HA 1 89 GLU QB . . 4.220 3.342 2.541 4.091 . 0 0 "[ . 1 . 2]" 1
93 1 10 ARG HA 1 90 VAL H . . 4.070 3.086 2.436 3.555 . 0 0 "[ . 1 . 2]" 1
94 1 10 ARG HA 1 90 VAL QG . . 5.000 3.494 2.748 4.069 . 0 0 "[ . 1 . 2]" 1
95 1 10 ARG HB2 1 10 ARG QD . . 3.090 2.206 2.093 2.410 . 0 0 "[ . 1 . 2]" 1
96 1 10 ARG HB2 1 11 VAL H . . 5.030 4.251 3.893 4.503 . 0 0 "[ . 1 . 2]" 1
97 1 10 ARG HB3 1 10 ARG QD . . 3.750 3.286 3.239 3.381 . 0 0 "[ . 1 . 2]" 1
98 1 10 ARG HB3 1 11 VAL H . . 4.140 3.127 2.500 3.602 . 0 0 "[ . 1 . 2]" 1
99 1 10 ARG HB3 1 11 VAL QG . . 5.300 4.290 3.993 4.521 . 0 0 "[ . 1 . 2]" 1
100 1 10 ARG QD 1 11 VAL H . . 4.640 4.454 3.942 4.603 . 0 0 "[ . 1 . 2]" 1
101 1 10 ARG QD 1 11 VAL QG . . 5.310 4.845 4.477 4.938 . 0 0 "[ . 1 . 2]" 1
102 1 10 ARG QD 1 89 GLU HA . . 4.170 3.821 3.131 4.170 0.000 19 0 "[ . 1 . 2]" 1
103 1 10 ARG QD 1 89 GLU QB . . 3.810 2.901 1.916 3.739 . 0 0 "[ . 1 . 2]" 1
104 1 10 ARG QD 1 89 GLU HG2 . . 5.320 4.389 3.075 5.323 0.003 9 0 "[ . 1 . 2]" 1
105 1 10 ARG QD 1 90 VAL H . . 5.280 4.210 3.298 5.206 . 0 0 "[ . 1 . 2]" 1
106 1 10 ARG QG 1 11 VAL H . . 4.610 3.185 2.423 3.601 . 0 0 "[ . 1 . 2]" 1
107 1 10 ARG QG 1 11 VAL QG . . 5.500 4.239 3.935 4.500 . 0 0 "[ . 1 . 2]" 1
108 1 10 ARG QG 1 88 GLY HA2 . . 5.500 5.435 5.008 5.542 0.042 14 0 "[ . 1 . 2]" 1
109 1 10 ARG QG 1 89 GLU HA . . 4.140 2.876 2.090 3.508 . 0 0 "[ . 1 . 2]" 1
110 1 11 VAL H 1 11 VAL HB . . 4.150 3.806 3.108 3.949 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL H 1 11 VAL QG . . 3.870 2.163 2.021 2.546 . 0 0 "[ . 1 . 2]" 1
112 1 11 VAL H 1 12 ASP H . . 4.570 4.407 4.287 4.445 . 0 0 "[ . 1 . 2]" 1
113 1 11 VAL H 1 88 GLY HA2 . . 4.660 4.203 3.863 4.486 . 0 0 "[ . 1 . 2]" 1
114 1 11 VAL H 1 88 GLY HA3 . . 5.060 4.906 4.331 5.095 0.035 8 0 "[ . 1 . 2]" 1
115 1 11 VAL H 1 89 GLU H . . 4.770 4.433 4.144 4.773 0.003 16 0 "[ . 1 . 2]" 1
116 1 11 VAL H 1 89 GLU HA . . 3.920 2.460 1.944 3.099 . 0 0 "[ . 1 . 2]" 1
117 1 11 VAL H 1 90 VAL H . . 5.430 3.785 3.255 4.659 . 0 0 "[ . 1 . 2]" 1
118 1 11 VAL H 1 90 VAL QG . . 5.180 3.794 3.151 4.454 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL HA 1 12 ASP H . . 2.830 2.578 2.205 2.628 . 0 0 "[ . 1 . 2]" 1
120 1 11 VAL HA 1 12 ASP HA . . 4.620 4.529 4.371 4.552 . 0 0 "[ . 1 . 2]" 1
121 1 11 VAL HA 1 12 ASP QB . . 4.510 4.016 3.866 4.264 . 0 0 "[ . 1 . 2]" 1
122 1 11 VAL HA 1 16 VAL HB . . 4.960 4.589 4.174 4.842 . 0 0 "[ . 1 . 2]" 1
123 1 11 VAL HB 1 12 ASP H . . 3.210 2.151 2.011 3.104 . 0 0 "[ . 1 . 2]" 1
124 1 11 VAL HB 1 12 ASP HA . . 4.920 4.456 4.046 4.708 . 0 0 "[ . 1 . 2]" 1
125 1 11 VAL HB 1 12 ASP QB . . 5.150 4.642 4.444 4.997 . 0 0 "[ . 1 . 2]" 1
126 1 11 VAL HB 1 16 VAL MG1 . . 3.700 3.505 3.055 3.810 0.110 19 0 "[ . 1 . 2]" 1
127 1 11 VAL HB 1 22 TRP HZ3 . . 4.990 4.491 4.085 5.301 0.311 19 0 "[ . 1 . 2]" 1
128 1 11 VAL QG 1 12 ASP H . . 4.140 2.728 1.873 3.416 . 0 0 "[ . 1 . 2]" 1
129 1 11 VAL QG 1 12 ASP HA . . 4.520 3.429 3.195 4.035 . 0 0 "[ . 1 . 2]" 1
130 1 11 VAL QG 1 12 ASP QB . . 5.500 4.276 4.171 4.644 . 0 0 "[ . 1 . 2]" 1
131 1 11 VAL QG 1 16 VAL H . . 5.500 4.869 4.459 4.961 . 0 0 "[ . 1 . 2]" 1
132 1 11 VAL QG 1 16 VAL HA . . 4.910 4.300 3.967 4.497 . 0 0 "[ . 1 . 2]" 1
133 1 11 VAL QG 1 16 VAL HB . . 4.470 3.059 2.548 3.149 . 0 0 "[ . 1 . 2]" 1
134 1 11 VAL QG 1 16 VAL MG2 . . 4.070 1.914 1.742 2.082 . 0 0 "[ . 1 . 2]" 1
135 1 11 VAL QG 1 22 TRP HE3 . . 4.660 3.847 3.229 4.139 . 0 0 "[ . 1 . 2]" 1
136 1 11 VAL QG 1 22 TRP HH2 . . 4.070 2.930 2.713 3.251 . 0 0 "[ . 1 . 2]" 1
137 1 11 VAL QG 1 22 TRP HZ2 . . 5.230 4.263 3.810 4.565 . 0 0 "[ . 1 . 2]" 1
138 1 11 VAL QG 1 22 TRP HZ3 . . 3.830 2.527 2.174 2.875 . 0 0 "[ . 1 . 2]" 1
139 1 11 VAL QG 1 66 THR HB . . 4.430 3.069 2.403 3.278 . 0 0 "[ . 1 . 2]" 1
140 1 11 VAL QG 1 66 THR MG . . 4.280 2.761 2.130 3.008 . 0 0 "[ . 1 . 2]" 1
141 1 11 VAL QG 1 67 SER H . . 4.530 4.219 4.140 4.430 . 0 0 "[ . 1 . 2]" 1
142 1 11 VAL QG 1 67 SER HA . . 5.260 5.205 4.949 5.329 0.069 5 0 "[ . 1 . 2]" 1
143 1 11 VAL QG 1 88 GLY H . . 5.500 3.711 3.337 4.021 . 0 0 "[ . 1 . 2]" 1
144 1 11 VAL QG 1 88 GLY HA2 . . 4.430 2.914 2.457 3.530 . 0 0 "[ . 1 . 2]" 1
145 1 11 VAL QG 1 88 GLY HA3 . . 5.020 4.154 3.691 4.714 . 0 0 "[ . 1 . 2]" 1
146 1 11 VAL QG 1 89 GLU H . . 5.310 3.383 3.072 3.706 . 0 0 "[ . 1 . 2]" 1
147 1 11 VAL QG 1 89 GLU HA . . 5.500 2.883 2.017 3.404 . 0 0 "[ . 1 . 2]" 1
148 1 11 VAL QG 1 90 VAL H . . 4.870 3.142 1.861 3.950 . 0 0 "[ . 1 . 2]" 1
149 1 11 VAL QG 1 90 VAL QG . . 3.360 2.113 1.733 2.546 . 0 0 "[ . 1 . 2]" 1
150 1 12 ASP H 1 12 ASP QB . . 3.370 2.812 2.221 3.259 . 0 0 "[ . 1 . 2]" 1
151 1 12 ASP H 1 14 THR HB . . 5.410 4.993 4.802 5.367 . 0 0 "[ . 1 . 2]" 1
152 1 12 ASP H 1 15 THR H . . 5.400 4.818 4.672 5.139 . 0 0 "[ . 1 . 2]" 1
153 1 12 ASP H 1 16 VAL H . . 4.440 4.523 4.467 4.813 0.373 5 0 "[ . 1 . 2]" 1
154 1 12 ASP H 1 16 VAL HA . . 5.310 4.904 4.676 5.317 0.007 5 0 "[ . 1 . 2]" 1
155 1 12 ASP H 1 16 VAL HB . . 5.260 2.704 2.558 3.420 . 0 0 "[ . 1 . 2]" 1
156 1 12 ASP H 1 16 VAL MG1 . . 4.620 3.476 2.725 4.267 . 0 0 "[ . 1 . 2]" 1
157 1 12 ASP HA 1 14 THR H . . 4.670 3.916 3.857 3.942 . 0 0 "[ . 1 . 2]" 1
158 1 12 ASP HA 1 16 VAL MG1 . . 5.070 4.155 3.972 4.307 . 0 0 "[ . 1 . 2]" 1
159 1 12 ASP HA 1 88 GLY HA2 . . 3.600 3.364 2.598 3.634 0.034 17 0 "[ . 1 . 2]" 1
160 1 12 ASP HA 1 88 GLY HA3 . . 4.780 4.398 3.775 4.813 0.033 20 0 "[ . 1 . 2]" 1
161 1 12 ASP QB 1 14 THR H . . 5.160 2.244 2.081 2.581 . 0 0 "[ . 1 . 2]" 1
162 1 14 THR H 1 14 THR HB . . 4.210 2.799 2.687 3.159 . 0 0 "[ . 1 . 2]" 1
163 1 14 THR H 1 14 THR MG . . 3.780 3.728 3.508 3.762 . 0 0 "[ . 1 . 2]" 1
164 1 14 THR H 1 15 THR H . . 3.560 3.171 3.101 3.259 . 0 0 "[ . 1 . 2]" 1
165 1 14 THR H 1 15 THR MG . . 5.500 5.142 4.870 5.525 0.025 15 0 "[ . 1 . 2]" 1
166 1 14 THR H 1 16 VAL H . . 4.550 3.951 3.780 4.102 . 0 0 "[ . 1 . 2]" 1
167 1 14 THR HA 1 14 THR MG . . 3.160 2.277 2.105 2.340 . 0 0 "[ . 1 . 2]" 1
168 1 14 THR HB 1 15 THR H . . 3.590 1.983 1.923 2.154 . 0 0 "[ . 1 . 2]" 1
169 1 14 THR HB 1 15 THR HA . . 4.680 4.535 4.397 4.592 . 0 0 "[ . 1 . 2]" 1
170 1 14 THR HB 1 15 THR HB . . 5.350 5.187 4.785 5.358 0.008 18 0 "[ . 1 . 2]" 1
171 1 14 THR HB 1 15 THR MG . . 4.030 3.522 2.900 4.086 0.056 19 0 "[ . 1 . 2]" 1
172 1 14 THR HB 1 16 VAL H . . 4.350 3.940 3.676 4.149 . 0 0 "[ . 1 . 2]" 1
173 1 14 THR MG 1 15 THR H . . 4.260 3.174 2.869 3.696 . 0 0 "[ . 1 . 2]" 1
174 1 14 THR MG 1 15 THR MG . . 3.530 2.280 1.887 3.341 . 0 0 "[ . 1 . 2]" 1
175 1 14 THR MG 1 16 VAL H . . 5.500 4.888 4.681 5.241 . 0 0 "[ . 1 . 2]" 1
176 1 15 THR H 1 15 THR MG . . 4.010 3.200 2.875 3.595 . 0 0 "[ . 1 . 2]" 1
177 1 15 THR H 1 16 VAL H . . 3.470 2.100 1.853 2.281 . 0 0 "[ . 1 . 2]" 1
178 1 15 THR H 1 16 VAL HA . . 4.270 4.100 4.052 4.170 . 0 0 "[ . 1 . 2]" 1
179 1 15 THR H 1 16 VAL HB . . 4.200 3.791 3.531 3.917 . 0 0 "[ . 1 . 2]" 1
180 1 15 THR H 1 16 VAL MG1 . . 4.830 3.893 3.732 4.046 . 0 0 "[ . 1 . 2]" 1
181 1 15 THR H 1 16 VAL MG2 . . 5.280 5.049 4.809 5.145 . 0 0 "[ . 1 . 2]" 1
182 1 15 THR H 1 17 ARG H . . 5.190 4.415 4.115 4.700 . 0 0 "[ . 1 . 2]" 1
183 1 15 THR HA 1 15 THR MG . . 3.280 2.295 2.092 2.460 . 0 0 "[ . 1 . 2]" 1
184 1 15 THR HA 1 16 VAL HA . . 5.260 4.725 4.656 4.868 . 0 0 "[ . 1 . 2]" 1
185 1 15 THR HA 1 17 ARG H . . 5.200 3.394 3.221 3.769 . 0 0 "[ . 1 . 2]" 1
186 1 15 THR HA 1 18 GLN H . . 4.720 2.906 2.621 3.145 . 0 0 "[ . 1 . 2]" 1
187 1 15 THR HA 1 18 GLN HE21 . . 5.170 4.573 2.561 5.245 0.075 8 0 "[ . 1 . 2]" 1
188 1 15 THR HA 1 18 GLN HG3 . . 4.320 2.966 2.152 3.768 . 0 0 "[ . 1 . 2]" 1
189 1 15 THR HA 1 19 GLU H . . 4.790 3.812 3.509 4.074 . 0 0 "[ . 1 . 2]" 1
190 1 15 THR HB 1 16 VAL H . . 5.060 4.425 4.272 4.506 . 0 0 "[ . 1 . 2]" 1
191 1 15 THR HB 1 16 VAL HA . . 5.140 4.930 4.620 5.175 0.035 5 0 "[ . 1 . 2]" 1
192 1 15 THR HB 1 17 ARG H . . 5.500 4.999 4.775 5.405 . 0 0 "[ . 1 . 2]" 1
193 1 15 THR HB 1 18 GLN H . . 4.180 3.767 3.502 4.185 0.005 20 0 "[ . 1 . 2]" 1
194 1 15 THR HB 1 18 GLN QB . . 3.790 2.487 1.973 3.229 . 0 0 "[ . 1 . 2]" 1
195 1 15 THR HB 1 18 GLN HG3 . . 5.320 4.240 3.338 4.996 . 0 0 "[ . 1 . 2]" 1
196 1 15 THR HB 1 19 GLU HB3 . . 4.600 2.746 2.273 3.491 . 0 0 "[ . 1 . 2]" 1
197 1 15 THR MG 1 16 VAL H . . 4.830 4.326 4.168 4.443 . 0 0 "[ . 1 . 2]" 1
198 1 15 THR MG 1 16 VAL HA . . 5.430 5.579 5.530 5.626 0.196 14 0 "[ . 1 . 2]" 1
199 1 15 THR MG 1 18 GLN QB . . 4.250 2.807 1.954 3.508 . 0 0 "[ . 1 . 2]" 1
200 1 15 THR MG 1 18 GLN HG2 . . 4.740 4.159 3.623 4.779 0.039 1 0 "[ . 1 . 2]" 1
201 1 15 THR MG 1 18 GLN HG3 . . 4.900 3.286 2.183 4.317 . 0 0 "[ . 1 . 2]" 1
202 1 16 VAL H 1 16 VAL HB . . 3.510 2.517 2.366 2.620 . 0 0 "[ . 1 . 2]" 1
203 1 16 VAL H 1 16 VAL MG1 . . 3.890 2.172 1.961 2.470 . 0 0 "[ . 1 . 2]" 1
204 1 16 VAL H 1 16 VAL MG2 . . 3.910 3.764 3.724 3.779 . 0 0 "[ . 1 . 2]" 1
205 1 16 VAL H 1 17 ARG H . . 4.080 2.544 2.405 2.788 . 0 0 "[ . 1 . 2]" 1
206 1 16 VAL H 1 18 GLN H . . 5.360 3.746 3.559 3.872 . 0 0 "[ . 1 . 2]" 1
207 1 16 VAL H 1 19 GLU H . . 5.470 4.664 4.400 4.865 . 0 0 "[ . 1 . 2]" 1
208 1 16 VAL HA 1 16 VAL MG1 . . 3.610 3.191 3.161 3.202 . 0 0 "[ . 1 . 2]" 1
209 1 16 VAL HA 1 16 VAL MG2 . . 3.400 2.298 2.144 2.398 . 0 0 "[ . 1 . 2]" 1
210 1 16 VAL HA 1 17 ARG QG . . 5.500 5.032 4.501 5.504 0.004 1 0 "[ . 1 . 2]" 1
211 1 16 VAL HA 1 18 GLN H . . 4.360 4.142 3.887 4.406 0.046 20 0 "[ . 1 . 2]" 1
212 1 16 VAL HA 1 19 GLU H . . 4.180 3.947 3.699 4.371 0.191 10 0 "[ . 1 . 2]" 1
213 1 16 VAL HA 1 22 TRP H . . 5.500 5.474 5.222 5.607 0.107 5 0 "[ . 1 . 2]" 1
214 1 16 VAL HA 1 22 TRP HB2 . . 5.180 4.675 4.545 5.307 0.127 10 0 "[ . 1 . 2]" 1
215 1 16 VAL HA 1 22 TRP HE3 . . 4.970 4.004 3.865 4.182 . 0 0 "[ . 1 . 2]" 1
216 1 16 VAL HA 1 23 ALA MB . . 5.500 5.378 4.716 5.590 0.090 8 0 "[ . 1 . 2]" 1
217 1 16 VAL HA 1 66 THR MG . . 5.280 5.271 5.052 5.443 0.163 19 0 "[ . 1 . 2]" 1
218 1 16 VAL HB 1 17 ARG H . . 4.080 3.987 3.862 4.051 . 0 0 "[ . 1 . 2]" 1
219 1 16 VAL HB 1 22 TRP HE3 . . 5.040 5.023 4.622 5.109 0.069 11 0 "[ . 1 . 2]" 1
220 1 16 VAL HB 1 22 TRP HZ3 . . 5.500 5.362 4.591 5.519 0.019 2 0 "[ . 1 . 2]" 1
221 1 16 VAL HB 1 66 THR MG . . 5.270 4.728 4.563 5.042 . 0 0 "[ . 1 . 2]" 1
222 1 16 VAL MG1 1 17 ARG H . . 4.120 2.105 1.892 2.495 . 0 0 "[ . 1 . 2]" 1
223 1 16 VAL MG1 1 17 ARG QD . . 5.500 3.695 1.973 4.235 . 0 0 "[ . 1 . 2]" 1
224 1 16 VAL MG1 1 18 GLN H . . 5.450 3.970 3.799 4.261 . 0 0 "[ . 1 . 2]" 1
225 1 16 VAL MG1 1 22 TRP HB2 . . 4.980 4.160 3.493 4.377 . 0 0 "[ . 1 . 2]" 1
226 1 16 VAL MG1 1 22 TRP HB3 . . 5.030 4.609 4.115 4.901 . 0 0 "[ . 1 . 2]" 1
227 1 16 VAL MG1 1 22 TRP HE3 . . 5.100 4.356 3.562 4.608 . 0 0 "[ . 1 . 2]" 1
228 1 16 VAL MG1 1 22 TRP HZ3 . . 5.500 5.258 4.363 5.519 0.019 2 0 "[ . 1 . 2]" 1
229 1 16 VAL MG1 1 66 THR HB . . 5.140 5.117 4.822 5.228 0.088 8 0 "[ . 1 . 2]" 1
230 1 16 VAL MG1 1 66 THR MG . . 4.330 2.943 2.699 3.210 . 0 0 "[ . 1 . 2]" 1
231 1 16 VAL MG1 1 67 SER HA . . 4.520 4.444 4.130 4.779 0.259 20 0 "[ . 1 . 2]" 1
232 1 16 VAL MG2 1 17 ARG H . . 4.700 3.860 3.613 4.198 . 0 0 "[ . 1 . 2]" 1
233 1 16 VAL MG2 1 22 TRP HB2 . . 4.310 3.107 2.747 3.603 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL MG2 1 22 TRP HB3 . . 4.880 4.183 3.782 4.876 . 0 0 "[ . 1 . 2]" 1
235 1 16 VAL MG2 1 22 TRP HE3 . . 4.200 2.208 1.868 2.383 . 0 0 "[ . 1 . 2]" 1
236 1 16 VAL MG2 1 22 TRP HZ3 . . 4.980 2.791 2.059 2.969 . 0 0 "[ . 1 . 2]" 1
237 1 16 VAL MG2 1 66 THR MG . . 3.690 2.395 2.194 2.939 . 0 0 "[ . 1 . 2]" 1
238 1 17 ARG H 1 17 ARG HB2 . . 3.830 3.548 2.949 3.719 . 0 0 "[ . 1 . 2]" 1
239 1 17 ARG H 1 17 ARG HB3 . . 3.150 3.112 2.633 3.664 0.514 20 1 "[ . 1 . +]" 1
240 1 17 ARG H 1 17 ARG QD . . 4.110 3.808 2.782 4.055 . 0 0 "[ . 1 . 2]" 1
241 1 17 ARG H 1 17 ARG QG . . 4.050 2.030 1.825 2.300 . 0 0 "[ . 1 . 2]" 1
242 1 17 ARG H 1 18 GLN H . . 3.510 2.149 2.019 2.322 . 0 0 "[ . 1 . 2]" 1
243 1 17 ARG H 1 18 GLN HA . . 4.900 4.780 4.708 4.896 . 0 0 "[ . 1 . 2]" 1
244 1 17 ARG H 1 18 GLN HG2 . . 5.200 3.817 3.075 5.138 . 0 0 "[ . 1 . 2]" 1
245 1 17 ARG H 1 19 GLU H . . 4.070 3.862 3.444 4.177 0.107 10 0 "[ . 1 . 2]" 1
246 1 17 ARG H 1 23 ALA MB . . 5.490 5.353 4.909 5.522 0.032 1 0 "[ . 1 . 2]" 1
247 1 17 ARG HA 1 17 ARG QD . . 4.190 4.228 3.975 4.413 0.223 17 0 "[ . 1 . 2]" 1
248 1 17 ARG HA 1 17 ARG QG . . 3.690 3.255 2.825 3.359 . 0 0 "[ . 1 . 2]" 1
249 1 17 ARG HA 1 19 GLU H . . 4.910 4.383 4.125 4.508 . 0 0 "[ . 1 . 2]" 1
250 1 17 ARG HA 1 22 TRP HB2 . . 3.840 2.819 1.999 3.199 . 0 0 "[ . 1 . 2]" 1
251 1 17 ARG HA 1 23 ALA H . . 5.340 4.227 3.138 4.602 . 0 0 "[ . 1 . 2]" 1
252 1 17 ARG HA 1 23 ALA HA . . 3.570 3.488 3.121 3.711 0.141 17 0 "[ . 1 . 2]" 1
253 1 17 ARG HA 1 23 ALA MB . . 4.300 4.151 3.318 4.413 0.113 20 0 "[ . 1 . 2]" 1
254 1 17 ARG HA 1 42 LEU QD . . 4.600 2.613 1.984 3.367 . 0 0 "[ . 1 . 2]" 1
255 1 17 ARG HB2 1 17 ARG QD . . 3.540 2.320 1.998 3.393 . 0 0 "[ . 1 . 2]" 1
256 1 17 ARG HB2 1 18 GLN H . . 4.370 3.975 3.163 4.404 0.034 10 0 "[ . 1 . 2]" 1
257 1 17 ARG HB2 1 42 LEU QD . . 3.540 2.352 1.820 3.481 . 0 0 "[ . 1 . 2]" 1
258 1 17 ARG HB3 1 17 ARG QD . . 3.120 2.607 1.969 2.884 . 0 0 "[ . 1 . 2]" 1
259 1 17 ARG HB3 1 22 TRP HB3 . . 5.500 4.004 2.989 4.504 . 0 0 "[ . 1 . 2]" 1
260 1 17 ARG HB3 1 42 LEU HB2 . . 5.500 4.914 3.864 5.372 . 0 0 "[ . 1 . 2]" 1
261 1 17 ARG HB3 1 42 LEU HB3 . . 5.260 5.144 4.632 5.513 0.253 18 0 "[ . 1 . 2]" 1
262 1 17 ARG HB3 1 42 LEU QD . . 3.420 1.939 1.736 2.322 . 0 0 "[ . 1 . 2]" 1
263 1 17 ARG HB3 1 44 PHE QD . . 4.400 3.776 3.032 4.534 0.134 20 0 "[ . 1 . 2]" 1
264 1 17 ARG HB3 1 44 PHE QE . . 5.390 4.401 3.333 5.547 0.157 20 0 "[ . 1 . 2]" 1
265 1 17 ARG HB3 1 66 THR MG . . 5.500 4.393 3.301 4.987 . 0 0 "[ . 1 . 2]" 1
266 1 17 ARG HB3 1 67 SER HA . . 5.320 5.270 4.873 5.685 0.365 17 0 "[ . 1 . 2]" 1
267 1 17 ARG QD 1 18 GLN H . . 5.330 4.670 4.201 5.168 . 0 0 "[ . 1 . 2]" 1
268 1 17 ARG QD 1 18 GLN HE22 . . 5.500 5.075 4.015 6.011 0.511 12 1 "[ . 1 + . 2]" 1
269 1 17 ARG QD 1 18 GLN HG2 . . 4.850 4.187 3.564 5.228 0.378 1 0 "[ . 1 . 2]" 1
270 1 17 ARG QD 1 42 LEU QD . . 4.080 2.868 2.003 3.534 . 0 0 "[ . 1 . 2]" 1
271 1 17 ARG QD 1 44 PHE QD . . 5.500 2.940 2.234 4.869 . 0 0 "[ . 1 . 2]" 1
272 1 17 ARG QD 1 67 SER HA . . 5.500 5.048 3.151 5.520 0.020 13 0 "[ . 1 . 2]" 1
273 1 17 ARG QD 1 68 PRO HG3 . . 4.580 3.681 2.514 4.451 . 0 0 "[ . 1 . 2]" 1
274 1 17 ARG QG 1 18 GLN H . . 5.030 2.795 2.406 3.542 . 0 0 "[ . 1 . 2]" 1
275 1 17 ARG QG 1 22 TRP HB3 . . 5.430 5.368 4.600 5.612 0.182 19 0 "[ . 1 . 2]" 1
276 1 17 ARG QG 1 42 LEU QD . . 5.050 3.108 2.205 3.561 . 0 0 "[ . 1 . 2]" 1
277 1 18 GLN H 1 18 GLN QB . . 3.170 2.515 2.422 2.612 . 0 0 "[ . 1 . 2]" 1
278 1 18 GLN H 1 18 GLN HE21 . . 5.280 4.477 3.389 5.287 0.007 2 0 "[ . 1 . 2]" 1
279 1 18 GLN H 1 18 GLN HG2 . . 3.800 2.710 2.171 3.818 0.018 15 0 "[ . 1 . 2]" 1
280 1 18 GLN H 1 18 GLN HG3 . . 4.220 3.376 2.352 3.849 . 0 0 "[ . 1 . 2]" 1
281 1 18 GLN H 1 19 GLU H . . 3.020 2.197 2.063 2.401 . 0 0 "[ . 1 . 2]" 1
282 1 18 GLN H 1 23 ALA HA . . 5.500 4.559 4.198 5.033 . 0 0 "[ . 1 . 2]" 1
283 1 18 GLN H 1 23 ALA MB . . 4.400 4.075 3.428 4.337 . 0 0 "[ . 1 . 2]" 1
284 1 18 GLN HA 1 18 GLN QB . . 2.680 2.335 2.293 2.368 . 0 0 "[ . 1 . 2]" 1
285 1 18 GLN HA 1 18 GLN HE22 . . 5.500 4.672 3.279 6.133 0.633 6 4 "[* .+ 1 * - 2]" 1
286 1 18 GLN HA 1 18 GLN HG2 . . 3.400 2.911 2.635 3.288 . 0 0 "[ . 1 . 2]" 1
287 1 18 GLN HA 1 23 ALA MB . . 3.800 3.394 2.917 3.685 . 0 0 "[ . 1 . 2]" 1
288 1 18 GLN QB 1 19 GLU H . . 3.190 2.727 2.632 2.945 . 0 0 "[ . 1 . 2]" 1
289 1 18 GLN HG2 1 19 GLU H . . 5.500 4.393 4.019 5.091 . 0 0 "[ . 1 . 2]" 1
290 1 18 GLN HG3 1 19 GLU H . . 5.040 4.725 4.141 5.046 0.006 5 0 "[ . 1 . 2]" 1
291 1 19 GLU H 1 19 GLU HB2 . . 4.070 3.416 3.257 3.944 . 0 0 "[ . 1 . 2]" 1
292 1 19 GLU H 1 19 GLU HB3 . . 3.560 2.727 2.600 3.127 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLU H 1 19 GLU HG2 . . 4.520 4.276 2.488 4.563 0.043 15 0 "[ . 1 . 2]" 1
294 1 19 GLU H 1 19 GLU HG3 . . 4.310 4.433 3.760 4.649 0.339 19 0 "[ . 1 . 2]" 1
295 1 19 GLU H 1 20 GLY H . . 4.800 4.204 1.889 4.389 . 0 0 "[ . 1 . 2]" 1
296 1 19 GLU H 1 23 ALA H . . 5.070 5.011 4.833 5.105 0.035 18 0 "[ . 1 . 2]" 1
297 1 19 GLU H 1 23 ALA HA . . 5.190 4.471 4.045 4.931 . 0 0 "[ . 1 . 2]" 1
298 1 19 GLU H 1 23 ALA MB . . 3.720 3.016 2.739 3.166 . 0 0 "[ . 1 . 2]" 1
299 1 19 GLU HA 1 19 GLU HG2 . . 3.810 3.670 3.465 3.766 . 0 0 "[ . 1 . 2]" 1
300 1 19 GLU HA 1 19 GLU HG3 . . 3.700 2.719 2.501 3.760 0.060 8 0 "[ . 1 . 2]" 1
301 1 19 GLU HA 1 20 GLY H . . 2.910 2.239 2.151 3.126 0.216 10 0 "[ . 1 . 2]" 1
302 1 19 GLU HA 1 20 GLY HA2 . . 4.560 4.475 4.418 4.566 0.006 10 0 "[ . 1 . 2]" 1
303 1 19 GLU HA 1 23 ALA HA . . 4.830 4.521 4.163 5.142 0.312 10 0 "[ . 1 . 2]" 1
304 1 19 GLU HA 1 23 ALA MB . . 3.420 2.151 1.958 2.518 . 0 0 "[ . 1 . 2]" 1
305 1 19 GLU HA 1 24 ASP H . . 5.500 5.311 4.934 5.576 0.076 10 0 "[ . 1 . 2]" 1
306 1 19 GLU HB2 1 19 GLU HG3 . . 2.920 2.685 2.315 2.821 . 0 0 "[ . 1 . 2]" 1
307 1 19 GLU HB2 1 20 GLY H . . 4.120 3.947 2.929 4.512 0.392 10 0 "[ . 1 . 2]" 1
308 1 19 GLU HB2 1 23 ALA MB . . 4.920 4.035 3.895 4.247 . 0 0 "[ . 1 . 2]" 1
309 1 19 GLU HB3 1 20 GLY H . . 4.070 4.171 3.823 4.322 0.252 19 0 "[ . 1 . 2]" 1
310 1 19 GLU HB3 1 23 ALA MB . . 4.790 4.281 3.984 4.464 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLU HG2 1 20 GLY H . . 4.510 3.854 3.223 4.704 0.194 10 0 "[ . 1 . 2]" 1
312 1 19 GLU HG2 1 20 GLY HA2 . . 5.080 4.241 3.699 5.366 0.286 8 0 "[ . 1 . 2]" 1
313 1 19 GLU HG2 1 23 ALA MB . . 5.440 4.854 4.512 5.126 . 0 0 "[ . 1 . 2]" 1
314 1 19 GLU HG3 1 20 GLY H . . 4.780 2.617 2.065 4.775 . 0 0 "[ . 1 . 2]" 1
315 1 19 GLU HG3 1 20 GLY HA2 . . 4.020 3.568 3.309 4.796 0.776 10 1 "[ . + . 2]" 1
316 1 19 GLU HG3 1 23 ALA MB . . 4.960 4.029 3.786 4.723 . 0 0 "[ . 1 . 2]" 1
317 1 20 GLY H 1 21 PRO HA . . 5.310 5.321 5.248 5.586 0.276 10 0 "[ . 1 . 2]" 1
318 1 20 GLY H 1 21 PRO HD2 . . 4.800 4.746 4.127 4.810 0.010 17 0 "[ . 1 . 2]" 1
319 1 20 GLY H 1 21 PRO HD3 . . 5.040 5.050 4.980 5.074 0.034 3 0 "[ . 1 . 2]" 1
320 1 20 GLY H 1 23 ALA H . . 5.460 3.856 3.281 4.033 . 0 0 "[ . 1 . 2]" 1
321 1 20 GLY H 1 23 ALA MB . . 4.050 2.320 1.955 2.541 . 0 0 "[ . 1 . 2]" 1
322 1 20 GLY HA2 1 21 PRO HD2 . . 3.950 3.140 3.085 3.187 . 0 0 "[ . 1 . 2]" 1
323 1 20 GLY HA2 1 21 PRO HD3 . . 3.950 2.850 2.792 2.901 . 0 0 "[ . 1 . 2]" 1
324 1 20 GLY HA2 1 21 PRO HG3 . . 5.060 5.077 5.021 5.125 0.065 10 0 "[ . 1 . 2]" 1
325 1 20 GLY HA2 1 22 TRP HE3 . . 5.500 5.735 5.510 6.243 0.743 19 1 "[ . 1 . +2]" 1
326 1 20 GLY HA2 1 23 ALA MB . . 5.240 3.964 3.754 4.088 . 0 0 "[ . 1 . 2]" 1
327 1 20 GLY HA3 1 21 PRO HB2 . . 5.500 5.527 5.510 5.548 0.048 17 0 "[ . 1 . 2]" 1
328 1 20 GLY HA3 1 21 PRO HD3 . . 4.040 2.782 2.733 2.838 . 0 0 "[ . 1 . 2]" 1
329 1 20 GLY HA3 1 21 PRO HG2 . . 5.280 4.159 4.144 4.178 . 0 0 "[ . 1 . 2]" 1
330 1 20 GLY HA3 1 21 PRO HG3 . . 5.010 4.562 4.526 4.603 . 0 0 "[ . 1 . 2]" 1
331 1 20 GLY HA3 1 22 TRP H . . 5.500 3.421 3.313 3.584 . 0 0 "[ . 1 . 2]" 1
332 1 20 GLY HA3 1 23 ALA H . . 4.610 3.776 3.661 3.925 . 0 0 "[ . 1 . 2]" 1
333 1 21 PRO HA 1 22 TRP HA . . 5.070 4.667 4.648 4.679 . 0 0 "[ . 1 . 2]" 1
334 1 21 PRO HA 1 23 ALA H . . 4.390 3.943 3.824 4.116 . 0 0 "[ . 1 . 2]" 1
335 1 21 PRO HA 1 27 GLN HA . . 5.430 4.687 4.204 5.454 0.024 8 0 "[ . 1 . 2]" 1
336 1 21 PRO HA 1 27 GLN HG2 . . 5.500 3.788 2.631 4.385 . 0 0 "[ . 1 . 2]" 1
337 1 21 PRO HA 1 27 GLN HG3 . . 5.500 2.719 1.912 3.536 . 0 0 "[ . 1 . 2]" 1
338 1 21 PRO HA 1 40 TYR QR . . 4.640 4.182 4.037 4.344 . 0 0 "[ . 1 . 2]" 1
339 1 21 PRO HB2 1 22 TRP HE3 . . 5.500 4.764 4.691 4.841 . 0 0 "[ . 1 . 2]" 1
340 1 21 PRO HB2 1 40 TYR QR . . 4.320 2.681 2.566 2.789 . 0 0 "[ . 1 . 2]" 1
341 1 21 PRO HB3 1 22 TRP HE3 . . 5.280 5.558 5.479 5.600 0.320 17 0 "[ . 1 . 2]" 1
342 1 21 PRO HB3 1 23 ALA H . . 5.500 5.576 5.492 5.669 0.169 17 0 "[ . 1 . 2]" 1
343 1 21 PRO HB3 1 27 GLN QB . . 4.680 3.327 3.014 4.043 . 0 0 "[ . 1 . 2]" 1
344 1 21 PRO HB3 1 40 TYR QR . . 4.190 3.017 2.858 3.299 . 0 0 "[ . 1 . 2]" 1
345 1 21 PRO HD2 1 22 TRP H . . 4.860 2.652 2.646 2.676 . 0 0 "[ . 1 . 2]" 1
346 1 21 PRO HD2 1 22 TRP HE3 . . 4.180 2.881 2.684 3.249 . 0 0 "[ . 1 . 2]" 1
347 1 21 PRO HD2 1 22 TRP HZ3 . . 4.240 3.728 3.437 4.284 0.044 19 0 "[ . 1 . 2]" 1
348 1 21 PRO HD2 1 23 ALA H . . 5.260 4.209 4.007 4.365 . 0 0 "[ . 1 . 2]" 1
349 1 21 PRO HD3 1 22 TRP H . . 5.300 3.840 3.834 3.857 . 0 0 "[ . 1 . 2]" 1
350 1 21 PRO HD3 1 22 TRP HE3 . . 4.760 4.512 4.355 4.774 0.014 19 0 "[ . 1 . 2]" 1
351 1 21 PRO HD3 1 22 TRP HZ3 . . 5.430 4.819 4.558 5.273 . 0 0 "[ . 1 . 2]" 1
352 1 21 PRO HD3 1 40 TYR QR . . 5.500 4.956 4.728 5.176 . 0 0 "[ . 1 . 2]" 1
353 1 21 PRO HG2 1 22 TRP H . . 4.390 2.405 2.199 2.610 . 0 0 "[ . 1 . 2]" 1
354 1 21 PRO HG2 1 22 TRP HA . . 4.670 4.386 4.364 4.430 . 0 0 "[ . 1 . 2]" 1
355 1 21 PRO HG2 1 22 TRP HE3 . . 5.400 2.648 2.580 2.723 . 0 0 "[ . 1 . 2]" 1
356 1 21 PRO HG2 1 22 TRP HZ3 . . 4.260 3.344 3.193 3.489 . 0 0 "[ . 1 . 2]" 1
357 1 21 PRO HG2 1 40 TYR QR . . 4.970 3.497 3.175 3.770 . 0 0 "[ . 1 . 2]" 1
358 1 21 PRO HG3 1 22 TRP HE3 . . 4.900 4.064 4.002 4.132 . 0 0 "[ . 1 . 2]" 1
359 1 21 PRO HG3 1 22 TRP HZ3 . . 4.640 3.836 3.692 3.964 . 0 0 "[ . 1 . 2]" 1
360 1 21 PRO HG3 1 40 TYR QR . . 4.620 3.390 2.946 3.651 . 0 0 "[ . 1 . 2]" 1
361 1 22 TRP H 1 22 TRP HE3 . . 3.730 2.713 2.630 2.859 . 0 0 "[ . 1 . 2]" 1
362 1 22 TRP H 1 22 TRP HZ3 . . 4.900 4.761 4.666 4.900 . 0 0 "[ . 1 . 2]" 1
363 1 22 TRP H 1 23 ALA H . . 3.290 2.360 2.319 2.407 . 0 0 "[ . 1 . 2]" 1
364 1 22 TRP H 1 23 ALA HA . . 5.090 4.865 4.813 4.893 . 0 0 "[ . 1 . 2]" 1
365 1 22 TRP H 1 24 ASP H . . 4.750 4.743 4.454 4.882 0.132 18 0 "[ . 1 . 2]" 1
366 1 22 TRP HA 1 22 TRP HD1 . . 3.680 2.883 2.788 2.942 . 0 0 "[ . 1 . 2]" 1
367 1 22 TRP HA 1 22 TRP HE3 . . 4.730 4.668 4.616 4.730 . 0 0 "[ . 1 . 2]" 1
368 1 22 TRP HA 1 40 TYR HB2 . . 4.880 4.125 3.593 4.599 . 0 0 "[ . 1 . 2]" 1
369 1 22 TRP HA 1 40 TYR HB3 . . 3.950 3.338 3.102 3.643 . 0 0 "[ . 1 . 2]" 1
370 1 22 TRP HA 1 40 TYR QR . . 5.300 4.804 4.542 5.016 . 0 0 "[ . 1 . 2]" 1
371 1 22 TRP HA 1 42 LEU QD . . 5.080 3.892 3.464 4.337 . 0 0 "[ . 1 . 2]" 1
372 1 22 TRP HB2 1 22 TRP HE3 . . 4.110 2.457 2.432 2.475 . 0 0 "[ . 1 . 2]" 1
373 1 22 TRP HB2 1 23 ALA H . . 4.620 3.342 3.200 3.454 . 0 0 "[ . 1 . 2]" 1
374 1 22 TRP HB2 1 23 ALA HA . . 4.740 4.524 4.491 4.563 . 0 0 "[ . 1 . 2]" 1
375 1 22 TRP HB2 1 42 LEU HB3 . . 5.500 5.323 4.992 5.946 0.446 15 0 "[ . 1 . 2]" 1
376 1 22 TRP HB2 1 42 LEU QD . . 5.250 3.071 2.662 3.727 . 0 0 "[ . 1 . 2]" 1
377 1 22 TRP HB2 1 66 THR MG . . 5.500 3.636 3.343 3.823 . 0 0 "[ . 1 . 2]" 1
378 1 22 TRP HB3 1 22 TRP HD1 . . 3.810 2.780 2.756 2.821 . 0 0 "[ . 1 . 2]" 1
379 1 22 TRP HB3 1 23 ALA H . . 4.620 4.079 3.963 4.178 . 0 0 "[ . 1 . 2]" 1
380 1 22 TRP HB3 1 42 LEU HA . . 5.500 4.299 3.806 5.130 . 0 0 "[ . 1 . 2]" 1
381 1 22 TRP HB3 1 42 LEU HB3 . . 5.500 3.579 3.231 4.199 . 0 0 "[ . 1 . 2]" 1
382 1 22 TRP HB3 1 42 LEU QD . . 4.240 2.149 1.879 2.699 . 0 0 "[ . 1 . 2]" 1
383 1 22 TRP HB3 1 66 THR MG . . 5.500 3.586 3.413 3.757 . 0 0 "[ . 1 . 2]" 1
384 1 22 TRP HD1 1 40 TYR HA . . 4.510 4.346 4.016 4.543 0.033 13 0 "[ . 1 . 2]" 1
385 1 22 TRP HD1 1 40 TYR HB3 . . 4.290 3.053 2.678 3.314 . 0 0 "[ . 1 . 2]" 1
386 1 22 TRP HD1 1 40 TYR QR . . 5.100 4.374 4.055 4.932 . 0 0 "[ . 1 . 2]" 1
387 1 22 TRP HD1 1 41 VAL H . . 4.180 3.624 3.241 3.873 . 0 0 "[ . 1 . 2]" 1
388 1 22 TRP HD1 1 41 VAL HA . . 4.520 3.751 3.463 4.079 . 0 0 "[ . 1 . 2]" 1
389 1 22 TRP HD1 1 42 LEU H . . 4.280 3.490 3.227 4.047 . 0 0 "[ . 1 . 2]" 1
390 1 22 TRP HD1 1 42 LEU HA . . 4.120 3.282 2.834 4.069 . 0 0 "[ . 1 . 2]" 1
391 1 22 TRP HD1 1 42 LEU HB2 . . 4.390 2.119 1.961 2.714 . 0 0 "[ . 1 . 2]" 1
392 1 22 TRP HD1 1 42 LEU HB3 . . 3.760 3.631 3.323 4.362 0.602 15 1 "[ . 1 + 2]" 1
393 1 22 TRP HD1 1 42 LEU QD . . 4.750 2.951 2.422 3.636 . 0 0 "[ . 1 . 2]" 1
394 1 22 TRP HD1 1 65 ILE HA . . 4.750 4.790 4.628 4.870 0.120 11 0 "[ . 1 . 2]" 1
395 1 22 TRP HD1 1 66 THR H . . 4.950 4.786 4.493 5.021 0.071 10 0 "[ . 1 . 2]" 1
396 1 22 TRP HD1 1 66 THR MG . . 4.020 3.280 3.110 3.562 . 0 0 "[ . 1 . 2]" 1
397 1 22 TRP HE1 1 40 TYR HA . . 4.080 2.943 2.602 3.140 . 0 0 "[ . 1 . 2]" 1
398 1 22 TRP HE1 1 40 TYR HB2 . . 5.240 4.629 4.297 4.984 . 0 0 "[ . 1 . 2]" 1
399 1 22 TRP HE1 1 40 TYR HB3 . . 4.840 3.055 2.730 3.456 . 0 0 "[ . 1 . 2]" 1
400 1 22 TRP HE1 1 40 TYR QR . . 4.510 2.825 2.431 3.461 . 0 0 "[ . 1 . 2]" 1
401 1 22 TRP HE1 1 41 VAL H . . 3.720 2.447 1.915 2.685 . 0 0 "[ . 1 . 2]" 1
402 1 22 TRP HE1 1 41 VAL HA . . 5.400 4.499 4.295 4.729 . 0 0 "[ . 1 . 2]" 1
403 1 22 TRP HE1 1 41 VAL HB . . 5.380 4.959 4.138 5.468 0.088 11 0 "[ . 1 . 2]" 1
404 1 22 TRP HE1 1 41 VAL QG . . 4.890 3.795 3.016 4.543 . 0 0 "[ . 1 . 2]" 1
405 1 22 TRP HE1 1 42 LEU HA . . 5.450 4.480 4.200 4.958 . 0 0 "[ . 1 . 2]" 1
406 1 22 TRP HE1 1 64 LYS QB . . 5.310 3.307 3.062 3.561 . 0 0 "[ . 1 . 2]" 1
407 1 22 TRP HE1 1 65 ILE HA . . 4.220 3.162 3.010 3.329 . 0 0 "[ . 1 . 2]" 1
408 1 22 TRP HE1 1 65 ILE MG . . 5.420 4.664 4.466 4.858 . 0 0 "[ . 1 . 2]" 1
409 1 22 TRP HE1 1 66 THR H . . 4.610 3.887 3.518 4.222 . 0 0 "[ . 1 . 2]" 1
410 1 22 TRP HE1 1 66 THR HB . . 5.420 4.170 3.878 4.449 . 0 0 "[ . 1 . 2]" 1
411 1 22 TRP HE1 1 66 THR MG . . 4.870 2.860 2.662 3.102 . 0 0 "[ . 1 . 2]" 1
412 1 22 TRP HE3 1 23 ALA H . . 4.600 4.664 4.568 4.768 0.168 19 0 "[ . 1 . 2]" 1
413 1 22 TRP HE3 1 40 TYR QR . . 5.500 4.770 4.395 4.982 . 0 0 "[ . 1 . 2]" 1
414 1 22 TRP HE3 1 66 THR MG . . 5.420 3.416 2.978 3.765 . 0 0 "[ . 1 . 2]" 1
415 1 22 TRP HH2 1 40 TYR QR . . 4.540 3.207 2.874 3.392 . 0 0 "[ . 1 . 2]" 1
416 1 22 TRP HH2 1 64 LYS QD . . 4.730 3.616 3.294 4.013 . 0 0 "[ . 1 . 2]" 1
417 1 22 TRP HH2 1 66 THR HB . . 5.020 4.154 3.567 4.557 . 0 0 "[ . 1 . 2]" 1
418 1 22 TRP HH2 1 66 THR MG . . 5.160 3.944 3.520 4.404 . 0 0 "[ . 1 . 2]" 1
419 1 22 TRP HH2 1 90 VAL HB . . 4.990 3.368 1.981 4.704 . 0 0 "[ . 1 . 2]" 1
420 1 22 TRP HH2 1 90 VAL QG . . 3.360 2.047 1.768 2.377 . 0 0 "[ . 1 . 2]" 1
421 1 22 TRP HZ2 1 40 TYR QR . . 4.100 2.457 2.298 2.879 . 0 0 "[ . 1 . 2]" 1
422 1 22 TRP HZ2 1 64 LYS H . . 5.500 5.392 5.162 5.543 0.043 14 0 "[ . 1 . 2]" 1
423 1 22 TRP HZ2 1 64 LYS HA . . 4.780 4.181 3.796 4.455 . 0 0 "[ . 1 . 2]" 1
424 1 22 TRP HZ2 1 64 LYS QB . . 3.750 2.157 1.954 2.368 . 0 0 "[ . 1 . 2]" 1
425 1 22 TRP HZ2 1 64 LYS QD . . 5.500 3.217 2.982 3.491 . 0 0 "[ . 1 . 2]" 1
426 1 22 TRP HZ2 1 64 LYS QE . . 5.500 4.967 4.445 5.505 0.005 12 0 "[ . 1 . 2]" 1
427 1 22 TRP HZ2 1 64 LYS HG2 . . 5.500 4.859 4.631 5.093 . 0 0 "[ . 1 . 2]" 1
428 1 22 TRP HZ2 1 64 LYS HG3 . . 5.500 4.935 4.690 5.221 . 0 0 "[ . 1 . 2]" 1
429 1 22 TRP HZ2 1 65 ILE H . . 5.210 4.621 4.211 4.882 . 0 0 "[ . 1 . 2]" 1
430 1 22 TRP HZ2 1 65 ILE HA . . 5.000 4.563 4.261 4.787 . 0 0 "[ . 1 . 2]" 1
431 1 22 TRP HZ2 1 66 THR HB . . 4.770 3.359 3.067 3.658 . 0 0 "[ . 1 . 2]" 1
432 1 22 TRP HZ2 1 66 THR MG . . 4.850 3.398 3.255 3.760 . 0 0 "[ . 1 . 2]" 1
433 1 22 TRP HZ2 1 90 VAL QG . . 3.680 2.069 1.886 2.435 . 0 0 "[ . 1 . 2]" 1
434 1 22 TRP HZ3 1 40 TYR QR . . 4.880 4.334 4.125 4.559 . 0 0 "[ . 1 . 2]" 1
435 1 22 TRP HZ3 1 66 THR MG . . 5.390 3.887 3.300 4.337 . 0 0 "[ . 1 . 2]" 1
436 1 22 TRP HZ3 1 90 VAL QG . . 4.290 3.612 3.043 4.012 . 0 0 "[ . 1 . 2]" 1
437 1 23 ALA H 1 23 ALA MB . . 3.210 2.201 2.028 2.255 . 0 0 "[ . 1 . 2]" 1
438 1 23 ALA H 1 24 ASP H . . 3.430 2.782 2.549 2.890 . 0 0 "[ . 1 . 2]" 1
439 1 23 ALA H 1 24 ASP HA . . 5.500 5.279 5.172 5.336 . 0 0 "[ . 1 . 2]" 1
440 1 23 ALA H 1 24 ASP QB . . 5.500 4.793 4.534 5.273 . 0 0 "[ . 1 . 2]" 1
441 1 23 ALA HA 1 42 LEU QD . . 5.490 4.327 3.248 4.806 . 0 0 "[ . 1 . 2]" 1
442 1 23 ALA MB 1 24 ASP H . . 3.510 2.229 2.097 2.502 . 0 0 "[ . 1 . 2]" 1
443 1 23 ALA MB 1 24 ASP HA . . 4.970 3.944 3.853 4.014 . 0 0 "[ . 1 . 2]" 1
444 1 23 ALA MB 1 24 ASP QB . . 4.990 3.259 3.029 3.828 . 0 0 "[ . 1 . 2]" 1
445 1 24 ASP H 1 24 ASP QB . . 3.300 2.329 2.144 3.074 . 0 0 "[ . 1 . 2]" 1
446 1 24 ASP HA 1 25 PRO HA . . 4.620 4.400 4.394 4.411 . 0 0 "[ . 1 . 2]" 1
447 1 24 ASP HA 1 25 PRO HD2 . . 3.280 2.254 2.171 2.310 . 0 0 "[ . 1 . 2]" 1
448 1 24 ASP HA 1 25 PRO QG . . 4.100 3.914 3.868 3.946 . 0 0 "[ . 1 . 2]" 1
449 1 24 ASP HA 1 26 ALA H . . 3.970 3.877 3.753 4.024 0.054 16 0 "[ . 1 . 2]" 1
450 1 24 ASP HA 1 26 ALA MB . . 5.210 4.960 4.762 5.220 0.010 16 0 "[ . 1 . 2]" 1
451 1 24 ASP HA 1 27 GLN H . . 5.320 4.858 4.603 5.129 . 0 0 "[ . 1 . 2]" 1
452 1 24 ASP HA 1 27 GLN HG2 . . 5.500 4.715 4.003 5.159 . 0 0 "[ . 1 . 2]" 1
453 1 24 ASP QB 1 25 PRO HD2 . . 5.160 2.937 2.648 3.160 . 0 0 "[ . 1 . 2]" 1
454 1 24 ASP QB 1 26 ALA H . . 5.350 2.471 2.290 2.655 . 0 0 "[ . 1 . 2]" 1
455 1 24 ASP QB 1 27 GLN H . . 3.460 2.986 2.645 3.441 . 0 0 "[ . 1 . 2]" 1
456 1 24 ASP QB 1 27 GLN QE . . 4.710 2.835 2.005 3.865 . 0 0 "[ . 1 . 2]" 1
457 1 24 ASP QB 1 27 GLN HG3 . . 4.380 3.183 1.907 4.164 . 0 0 "[ . 1 . 2]" 1
458 1 25 PRO HA 1 27 GLN H . . 4.520 3.759 3.448 4.276 . 0 0 "[ . 1 . 2]" 1
459 1 25 PRO HA 1 28 ALA H . . 5.150 3.826 3.546 4.422 . 0 0 "[ . 1 . 2]" 1
460 1 25 PRO HA 1 52 PRO HG3 . . 3.800 2.343 1.968 3.658 . 0 0 "[ . 1 . 2]" 1
461 1 25 PRO QB 1 26 ALA HA . . 4.300 4.086 4.013 4.173 . 0 0 "[ . 1 . 2]" 1
462 1 25 PRO QB 1 28 ALA H . . 5.200 4.825 4.599 5.214 0.014 5 0 "[ . 1 . 2]" 1
463 1 25 PRO HD2 1 26 ALA H . . 4.070 2.741 2.650 2.894 . 0 0 "[ . 1 . 2]" 1
464 1 25 PRO HD2 1 26 ALA MB . . 5.090 3.886 3.786 3.998 . 0 0 "[ . 1 . 2]" 1
465 1 25 PRO HD2 1 27 GLN H . . 5.500 4.767 4.417 5.104 . 0 0 "[ . 1 . 2]" 1
466 1 25 PRO QG 1 26 ALA H . . 3.890 2.731 2.418 3.079 . 0 0 "[ . 1 . 2]" 1
467 1 25 PRO QG 1 26 ALA MB . . 4.260 3.582 3.256 3.890 . 0 0 "[ . 1 . 2]" 1
468 1 25 PRO QG 1 27 GLN H . . 5.500 4.891 4.639 5.253 . 0 0 "[ . 1 . 2]" 1
469 1 26 ALA H 1 26 ALA MB . . 3.010 2.131 2.050 2.255 . 0 0 "[ . 1 . 2]" 1
470 1 26 ALA H 1 27 GLN H . . 3.270 2.510 2.473 2.558 . 0 0 "[ . 1 . 2]" 1
471 1 26 ALA H 1 27 GLN HG2 . . 4.420 3.653 3.401 4.010 . 0 0 "[ . 1 . 2]" 1
472 1 26 ALA H 1 28 ALA H . . 4.910 4.191 3.812 4.489 . 0 0 "[ . 1 . 2]" 1
473 1 26 ALA H 1 28 ALA MB . . 5.500 4.899 4.560 5.260 . 0 0 "[ . 1 . 2]" 1
474 1 26 ALA HA 1 27 GLN H . . 3.520 3.408 3.273 3.525 0.005 10 0 "[ . 1 . 2]" 1
475 1 26 ALA HA 1 28 ALA H . . 3.840 3.595 3.401 3.901 0.061 13 0 "[ . 1 . 2]" 1
476 1 26 ALA MB 1 27 GLN H . . 3.770 3.040 2.622 3.286 . 0 0 "[ . 1 . 2]" 1
477 1 26 ALA MB 1 27 GLN HA . . 4.490 3.972 3.868 4.085 . 0 0 "[ . 1 . 2]" 1
478 1 26 ALA MB 1 27 GLN QB . . 5.340 4.411 3.866 4.648 . 0 0 "[ . 1 . 2]" 1
479 1 26 ALA MB 1 27 GLN QE . . 5.010 2.608 1.875 3.657 . 0 0 "[ . 1 . 2]" 1
480 1 26 ALA MB 1 27 GLN HG2 . . 4.220 3.532 3.016 4.135 . 0 0 "[ . 1 . 2]" 1
481 1 26 ALA MB 1 28 ALA H . . 4.730 4.357 4.155 4.560 . 0 0 "[ . 1 . 2]" 1
482 1 27 GLN H 1 27 GLN QB . . 3.630 2.746 2.588 3.124 . 0 0 "[ . 1 . 2]" 1
483 1 27 GLN H 1 27 GLN QE . . 4.520 3.287 1.869 4.390 . 0 0 "[ . 1 . 2]" 1
484 1 27 GLN H 1 27 GLN HG2 . . 3.830 2.110 1.881 2.391 . 0 0 "[ . 1 . 2]" 1
485 1 27 GLN H 1 27 GLN HG3 . . 4.010 3.589 3.050 3.829 . 0 0 "[ . 1 . 2]" 1
486 1 27 GLN H 1 28 ALA H . . 3.240 2.533 2.240 2.918 . 0 0 "[ . 1 . 2]" 1
487 1 27 GLN H 1 28 ALA MB . . 4.380 4.068 3.838 4.391 0.011 8 0 "[ . 1 . 2]" 1
488 1 27 GLN HA 1 27 GLN HG2 . . 3.680 3.342 2.739 3.637 . 0 0 "[ . 1 . 2]" 1
489 1 27 GLN QB 1 28 ALA H . . 4.680 3.668 3.497 4.009 . 0 0 "[ . 1 . 2]" 1
490 1 27 GLN QB 1 30 VAL QG . . 5.500 3.307 2.858 3.868 . 0 0 "[ . 1 . 2]" 1
491 1 27 GLN HG2 1 28 ALA H . . 5.120 4.278 3.813 4.550 . 0 0 "[ . 1 . 2]" 1
492 1 27 GLN HG3 1 28 ALA H . . 5.500 5.476 5.206 5.609 0.109 10 0 "[ . 1 . 2]" 1
493 1 28 ALA H 1 28 ALA MB . . 3.270 2.160 2.044 2.238 . 0 0 "[ . 1 . 2]" 1
494 1 28 ALA H 1 29 VAL H . . 3.520 3.072 2.471 3.285 . 0 0 "[ . 1 . 2]" 1
495 1 28 ALA H 1 29 VAL QG . . 4.670 4.385 3.971 4.582 . 0 0 "[ . 1 . 2]" 1
496 1 28 ALA HA 1 39 VAL HA . . 5.500 4.408 3.624 5.082 . 0 0 "[ . 1 . 2]" 1
497 1 28 ALA HA 1 40 TYR H . . 4.230 2.840 2.172 3.408 . 0 0 "[ . 1 . 2]" 1
498 1 28 ALA HA 1 40 TYR HB2 . . 3.990 2.173 1.978 2.860 . 0 0 "[ . 1 . 2]" 1
499 1 28 ALA HA 1 40 TYR HB3 . . 5.070 3.720 3.430 4.312 . 0 0 "[ . 1 . 2]" 1
500 1 28 ALA HA 1 40 TYR QR . . 4.020 3.091 2.227 4.025 0.005 20 0 "[ . 1 . 2]" 1
501 1 28 ALA MB 1 29 VAL H . . 3.860 2.119 1.907 3.082 . 0 0 "[ . 1 . 2]" 1
502 1 28 ALA MB 1 29 VAL HA . . 4.270 3.886 3.754 4.257 . 0 0 "[ . 1 . 2]" 1
503 1 28 ALA MB 1 29 VAL HB . . 4.160 3.898 3.540 4.308 0.148 20 0 "[ . 1 . 2]" 1
504 1 28 ALA MB 1 29 VAL QG . . 3.980 2.634 2.353 2.838 . 0 0 "[ . 1 . 2]" 1
505 1 28 ALA MB 1 39 VAL HA . . 4.870 3.891 3.086 4.273 . 0 0 "[ . 1 . 2]" 1
506 1 28 ALA MB 1 39 VAL QG . . 4.080 3.084 2.332 3.456 . 0 0 "[ . 1 . 2]" 1
507 1 28 ALA MB 1 40 TYR H . . 4.380 3.053 2.318 3.574 . 0 0 "[ . 1 . 2]" 1
508 1 28 ALA MB 1 40 TYR HB3 . . 5.500 4.750 4.258 5.364 . 0 0 "[ . 1 . 2]" 1
509 1 28 ALA MB 1 40 TYR QR . . 5.060 4.316 3.731 5.130 0.070 20 0 "[ . 1 . 2]" 1
510 1 28 ALA MB 1 52 PRO QD . . 4.300 3.913 3.368 4.356 0.056 16 0 "[ . 1 . 2]" 1
511 1 28 ALA MB 1 53 ILE HA . . 3.950 3.650 3.200 4.063 0.113 15 0 "[ . 1 . 2]" 1
512 1 29 VAL H 1 29 VAL HB . . 3.130 2.880 2.563 3.188 0.058 18 0 "[ . 1 . 2]" 1
513 1 29 VAL H 1 29 VAL QG . . 3.450 2.083 1.860 2.768 . 0 0 "[ . 1 . 2]" 1
514 1 29 VAL H 1 30 VAL H . . 4.500 4.391 4.093 4.533 0.033 12 0 "[ . 1 . 2]" 1
515 1 29 VAL H 1 30 VAL QG . . 4.100 3.811 3.474 4.096 . 0 0 "[ . 1 . 2]" 1
516 1 29 VAL H 1 39 VAL HA . . 4.970 4.297 3.632 4.940 . 0 0 "[ . 1 . 2]" 1
517 1 29 VAL H 1 39 VAL QG . . 5.360 4.116 3.279 4.938 . 0 0 "[ . 1 . 2]" 1
518 1 29 VAL H 1 40 TYR QR . . 5.500 4.831 4.334 5.094 . 0 0 "[ . 1 . 2]" 1
519 1 29 VAL H 1 54 GLU HB3 . . 5.300 5.173 4.513 5.868 0.568 15 1 "[ . 1 + 2]" 1
520 1 29 VAL HA 1 30 VAL H . . 3.280 2.154 2.140 2.209 . 0 0 "[ . 1 . 2]" 1
521 1 29 VAL HA 1 30 VAL QG . . 3.540 3.379 3.152 3.524 . 0 0 "[ . 1 . 2]" 1
522 1 29 VAL HA 1 39 VAL HA . . 4.000 2.398 1.894 3.147 . 0 0 "[ . 1 . 2]" 1
523 1 29 VAL HA 1 39 VAL QG . . 4.090 3.081 1.923 3.632 . 0 0 "[ . 1 . 2]" 1
524 1 29 VAL HA 1 40 TYR QR . . 5.500 4.179 3.472 5.111 . 0 0 "[ . 1 . 2]" 1
525 1 29 VAL HB 1 30 VAL H . . 4.560 4.150 3.902 4.365 . 0 0 "[ . 1 . 2]" 1
526 1 29 VAL HB 1 39 VAL QG . . 5.370 3.319 1.937 5.048 . 0 0 "[ . 1 . 2]" 1
527 1 29 VAL QG 1 30 VAL H . . 4.440 2.629 2.192 3.093 . 0 0 "[ . 1 . 2]" 1
528 1 29 VAL QG 1 39 VAL HA . . 3.840 3.172 2.385 3.689 . 0 0 "[ . 1 . 2]" 1
529 1 29 VAL QG 1 39 VAL QG . . 3.330 2.307 1.673 2.765 . 0 0 "[ . 1 . 2]" 1
530 1 29 VAL QG 1 40 TYR H . . 4.890 4.181 3.130 4.567 . 0 0 "[ . 1 . 2]" 1
531 1 29 VAL QG 1 53 ILE HA . . 4.710 4.089 3.322 4.669 . 0 0 "[ . 1 . 2]" 1
532 1 29 VAL QG 1 54 GLU H . . 4.810 3.188 2.230 3.885 . 0 0 "[ . 1 . 2]" 1
533 1 29 VAL QG 1 54 GLU HB3 . . 4.490 1.979 1.812 2.211 . 0 0 "[ . 1 . 2]" 1
534 1 30 VAL H 1 30 VAL HB . . 3.580 3.311 2.842 3.958 0.378 16 0 "[ . 1 . 2]" 1
535 1 30 VAL H 1 30 VAL QG . . 3.330 2.414 2.063 2.835 . 0 0 "[ . 1 . 2]" 1
536 1 30 VAL H 1 31 GLN H . . 4.620 4.339 4.029 4.501 . 0 0 "[ . 1 . 2]" 1
537 1 30 VAL H 1 31 GLN HA . . 5.500 4.819 4.588 5.156 . 0 0 "[ . 1 . 2]" 1
538 1 30 VAL H 1 37 TYR QB . . 4.880 3.526 2.885 4.202 . 0 0 "[ . 1 . 2]" 1
539 1 30 VAL H 1 37 TYR QD . . 5.190 4.785 4.130 5.178 . 0 0 "[ . 1 . 2]" 1
540 1 30 VAL H 1 38 THR HB . . 4.800 3.307 3.097 3.756 . 0 0 "[ . 1 . 2]" 1
541 1 30 VAL H 1 38 THR MG . . 4.330 4.098 3.885 4.486 0.156 20 0 "[ . 1 . 2]" 1
542 1 30 VAL H 1 39 VAL H . . 5.160 4.918 4.478 5.264 0.104 17 0 "[ . 1 . 2]" 1
543 1 30 VAL H 1 39 VAL HA . . 4.570 3.918 3.542 4.409 . 0 0 "[ . 1 . 2]" 1
544 1 30 VAL H 1 40 TYR QR . . 5.410 4.107 3.687 4.779 . 0 0 "[ . 1 . 2]" 1
545 1 30 VAL HA 1 30 VAL QG . . 3.000 2.151 1.966 2.363 . 0 0 "[ . 1 . 2]" 1
546 1 30 VAL HA 1 31 GLN H . . 2.930 2.220 2.140 2.286 . 0 0 "[ . 1 . 2]" 1
547 1 30 VAL HA 1 31 GLN HA . . 4.420 4.344 4.315 4.403 . 0 0 "[ . 1 . 2]" 1
548 1 30 VAL HA 1 31 GLN HB2 . . 5.500 4.348 4.126 4.698 . 0 0 "[ . 1 . 2]" 1
549 1 30 VAL HA 1 37 TYR QD . . 4.760 4.479 3.815 4.791 0.031 14 0 "[ . 1 . 2]" 1
550 1 30 VAL HA 1 38 THR H . . 4.800 4.683 4.476 4.869 0.069 9 0 "[ . 1 . 2]" 1
551 1 30 VAL HB 1 31 GLN H . . 4.460 3.484 2.725 4.274 . 0 0 "[ . 1 . 2]" 1
552 1 30 VAL HB 1 38 THR H . . 4.750 4.451 3.629 5.041 0.291 20 0 "[ . 1 . 2]" 1
553 1 30 VAL HB 1 38 THR HB . . 4.340 3.840 2.694 4.560 0.220 4 0 "[ . 1 . 2]" 1
554 1 30 VAL HB 1 38 THR MG . . 5.500 4.804 3.805 5.473 . 0 0 "[ . 1 . 2]" 1
555 1 30 VAL HB 1 40 TYR QR . . 4.260 4.028 3.185 4.409 0.149 3 0 "[ . 1 . 2]" 1
556 1 30 VAL QG 1 31 GLN H . . 4.120 2.673 2.001 3.525 . 0 0 "[ . 1 . 2]" 1
557 1 30 VAL QG 1 38 THR H . . 5.120 3.687 2.401 4.398 . 0 0 "[ . 1 . 2]" 1
558 1 30 VAL QG 1 38 THR HB . . 3.900 3.009 1.792 3.957 0.057 18 0 "[ . 1 . 2]" 1
559 1 30 VAL QG 1 38 THR MG . . 4.080 3.486 2.578 4.115 0.035 18 0 "[ . 1 . 2]" 1
560 1 30 VAL QG 1 40 TYR QR . . 4.450 2.464 1.972 3.013 . 0 0 "[ . 1 . 2]" 1
561 1 31 GLN H 1 31 GLN HB2 . . 3.490 2.336 2.072 2.986 . 0 0 "[ . 1 . 2]" 1
562 1 31 GLN H 1 31 GLN HB3 . . 3.550 2.979 2.288 3.403 . 0 0 "[ . 1 . 2]" 1
563 1 31 GLN H 1 32 THR H . . 4.710 4.432 4.164 4.523 . 0 0 "[ . 1 . 2]" 1
564 1 31 GLN H 1 32 THR MG . . 5.420 4.987 4.170 5.448 0.028 3 0 "[ . 1 . 2]" 1
565 1 31 GLN H 1 37 TYR HA . . 5.310 4.829 4.471 5.178 . 0 0 "[ . 1 . 2]" 1
566 1 31 GLN H 1 37 TYR QD . . 4.000 3.797 3.328 4.084 0.084 4 0 "[ . 1 . 2]" 1
567 1 31 GLN HA 1 31 GLN QE . . 3.810 2.290 1.830 2.913 . 0 0 "[ . 1 . 2]" 1
568 1 31 GLN HA 1 32 THR H . . 3.490 2.147 2.138 2.210 . 0 0 "[ . 1 . 2]" 1
569 1 31 GLN HA 1 32 THR MG . . 4.940 3.537 3.335 3.776 . 0 0 "[ . 1 . 2]" 1
570 1 31 GLN HA 1 33 GLY H . . 3.900 3.684 3.401 3.919 0.019 11 0 "[ . 1 . 2]" 1
571 1 31 GLN HA 1 37 TYR HA . . 3.820 2.584 2.137 2.969 . 0 0 "[ . 1 . 2]" 1
572 1 31 GLN HA 1 37 TYR QB . . 4.640 3.711 3.266 4.061 . 0 0 "[ . 1 . 2]" 1
573 1 31 GLN HA 1 37 TYR QD . . 3.370 2.749 2.216 3.088 . 0 0 "[ . 1 . 2]" 1
574 1 31 GLN HA 1 38 THR H . . 4.270 3.606 3.070 4.047 . 0 0 "[ . 1 . 2]" 1
575 1 31 GLN HB2 1 32 THR H . . 4.700 4.441 4.167 4.655 . 0 0 "[ . 1 . 2]" 1
576 1 31 GLN HB2 1 37 TYR QD . . 3.940 3.414 2.350 4.072 0.132 9 0 "[ . 1 . 2]" 1
577 1 31 GLN HB3 1 32 THR H . . 4.140 3.965 3.572 4.422 0.282 5 0 "[ . 1 . 2]" 1
578 1 31 GLN HB3 1 33 GLY H . . 4.870 4.907 4.473 5.429 0.559 5 1 "[ + 1 . 2]" 1
579 1 31 GLN HB3 1 37 TYR QD . . 4.800 4.437 3.945 4.896 0.096 11 0 "[ . 1 . 2]" 1
580 1 31 GLN QE 1 32 THR MG . . 4.760 3.944 3.361 4.663 . 0 0 "[ . 1 . 2]" 1
581 1 31 GLN QE 1 33 GLY H . . 5.010 2.578 1.841 3.639 . 0 0 "[ . 1 . 2]" 1
582 1 31 GLN QE 1 35 ASN H . . 3.890 3.422 2.344 3.880 . 0 0 "[ . 1 . 2]" 1
583 1 31 GLN QE 1 35 ASN HA . . 5.500 3.417 2.618 4.343 . 0 0 "[ . 1 . 2]" 1
584 1 31 GLN QE 1 37 TYR H . . 5.500 4.195 3.656 4.846 . 0 0 "[ . 1 . 2]" 1
585 1 32 THR H 1 32 THR MG . . 4.250 2.106 1.892 2.484 . 0 0 "[ . 1 . 2]" 1
586 1 32 THR H 1 33 GLY H . . 3.290 1.985 1.848 2.211 . 0 0 "[ . 1 . 2]" 1
587 1 32 THR H 1 33 GLY QA . . 5.280 4.041 3.926 4.236 . 0 0 "[ . 1 . 2]" 1
588 1 32 THR H 1 37 TYR HA . . 3.630 2.977 2.581 3.183 . 0 0 "[ . 1 . 2]" 1
589 1 32 THR H 1 37 TYR QB . . 5.000 4.800 4.276 5.068 0.068 11 0 "[ . 1 . 2]" 1
590 1 32 THR H 1 37 TYR QD . . 4.820 4.571 3.890 4.945 0.125 18 0 "[ . 1 . 2]" 1
591 1 32 THR H 1 38 THR H . . 4.340 3.657 3.383 4.003 . 0 0 "[ . 1 . 2]" 1
592 1 32 THR H 1 38 THR HB . . 5.500 4.886 4.325 5.483 . 0 0 "[ . 1 . 2]" 1
593 1 32 THR HA 1 32 THR MG . . 3.210 2.971 2.451 3.207 . 0 0 "[ . 1 . 2]" 1
594 1 32 THR HB 1 33 GLY H . . 5.500 4.096 3.801 4.331 . 0 0 "[ . 1 . 2]" 1
595 1 32 THR HB 1 38 THR HB . . 5.470 4.265 3.492 5.469 . 0 0 "[ . 1 . 2]" 1
596 1 32 THR MG 1 33 GLY H . . 4.890 2.686 1.923 3.864 . 0 0 "[ . 1 . 2]" 1
597 1 32 THR MG 1 37 TYR HA . . 4.390 3.214 2.301 3.887 . 0 0 "[ . 1 . 2]" 1
598 1 32 THR MG 1 37 TYR QD . . 5.500 5.139 4.401 5.524 0.024 1 0 "[ . 1 . 2]" 1
599 1 32 THR MG 1 38 THR H . . 4.080 2.811 2.304 3.134 . 0 0 "[ . 1 . 2]" 1
600 1 32 THR MG 1 38 THR HB . . 3.640 2.972 2.049 3.615 . 0 0 "[ . 1 . 2]" 1
601 1 33 GLY H 1 36 GLN HA . . 5.360 5.257 4.824 5.500 0.140 16 0 "[ . 1 . 2]" 1
602 1 33 GLY H 1 36 GLN HG3 . . 5.150 3.290 2.198 5.264 0.114 11 0 "[ . 1 . 2]" 1
603 1 33 GLY H 1 37 TYR HA . . 4.380 4.098 3.716 4.492 0.112 11 0 "[ . 1 . 2]" 1
604 1 33 GLY H 1 38 THR H . . 5.240 5.193 4.902 5.369 0.129 4 0 "[ . 1 . 2]" 1
605 1 35 ASN H 1 36 GLN H . . 4.180 2.219 1.843 2.786 . 0 0 "[ . 1 . 2]" 1
606 1 35 ASN H 1 60 GLU QB . . 5.500 5.065 4.603 5.697 0.197 17 0 "[ . 1 . 2]" 1
607 1 35 ASN HA 1 35 ASN HD22 . . 5.500 4.369 3.389 4.611 . 0 0 "[ . 1 . 2]" 1
608 1 35 ASN QB 1 36 GLN H . . 5.060 3.815 3.714 3.855 . 0 0 "[ . 1 . 2]" 1
609 1 35 ASN QB 1 36 GLN HA . . 5.470 4.529 4.329 4.662 . 0 0 "[ . 1 . 2]" 1
610 1 35 ASN QB 1 36 GLN HB3 . . 5.030 4.357 3.988 5.835 0.805 11 1 "[ . 1+ . 2]" 1
611 1 35 ASN QB 1 59 ALA HA . . 4.400 4.045 3.692 4.225 . 0 0 "[ . 1 . 2]" 1
612 1 35 ASN QB 1 59 ALA MB . . 4.630 3.668 3.320 4.038 . 0 0 "[ . 1 . 2]" 1
613 1 35 ASN QB 1 60 GLU H . . 5.060 3.680 3.391 3.939 . 0 0 "[ . 1 . 2]" 1
614 1 35 ASN QB 1 60 GLU QB . . 5.270 4.138 3.629 4.434 . 0 0 "[ . 1 . 2]" 1
615 1 35 ASN HD21 1 59 ALA HA . . 4.000 2.992 2.075 4.029 0.029 17 0 "[ . 1 . 2]" 1
616 1 35 ASN HD21 1 59 ALA MB . . 5.380 3.344 2.378 4.197 . 0 0 "[ . 1 . 2]" 1
617 1 35 ASN HD21 1 60 GLU H . . 5.070 3.681 2.906 4.907 . 0 0 "[ . 1 . 2]" 1
618 1 35 ASN HD22 1 59 ALA HA . . 3.720 2.616 2.064 3.616 . 0 0 "[ . 1 . 2]" 1
619 1 35 ASN HD22 1 59 ALA MB . . 4.730 2.788 2.321 3.709 . 0 0 "[ . 1 . 2]" 1
620 1 35 ASN HD22 1 60 GLU H . . 4.720 4.184 3.516 5.038 0.318 2 0 "[ . 1 . 2]" 1
621 1 36 GLN H 1 36 GLN HG2 . . 3.590 2.556 2.014 4.447 0.857 11 1 "[ . 1+ . 2]" 1
622 1 36 GLN H 1 36 GLN HG3 . . 5.500 3.664 2.233 4.071 . 0 0 "[ . 1 . 2]" 1
623 1 36 GLN H 1 37 TYR H . . 5.400 4.264 4.126 4.415 . 0 0 "[ . 1 . 2]" 1
624 1 36 GLN H 1 37 TYR QD . . 5.500 4.924 4.432 5.264 . 0 0 "[ . 1 . 2]" 1
625 1 36 GLN H 1 37 TYR QE . . 5.500 5.023 4.238 5.562 0.062 10 0 "[ . 1 . 2]" 1
626 1 36 GLN H 1 60 GLU QB . . 5.310 4.343 3.777 4.730 . 0 0 "[ . 1 . 2]" 1
627 1 36 GLN HA 1 36 GLN HG2 . . 4.210 3.650 3.403 4.183 . 0 0 "[ . 1 . 2]" 1
628 1 36 GLN HA 1 37 TYR H . . 3.510 2.208 2.138 2.369 . 0 0 "[ . 1 . 2]" 1
629 1 36 GLN HA 1 37 TYR QB . . 5.130 4.490 4.406 4.540 . 0 0 "[ . 1 . 2]" 1
630 1 36 GLN HA 1 37 TYR QD . . 3.690 3.510 3.044 3.708 0.018 11 0 "[ . 1 . 2]" 1
631 1 36 GLN HA 1 59 ALA HA . . 5.500 4.966 4.333 5.293 . 0 0 "[ . 1 . 2]" 1
632 1 36 GLN HA 1 59 ALA MB . . 4.520 3.482 2.875 3.916 . 0 0 "[ . 1 . 2]" 1
633 1 36 GLN HA 1 60 GLU H . . 3.970 3.118 2.827 3.532 . 0 0 "[ . 1 . 2]" 1
634 1 36 GLN HA 1 60 GLU QB . . 4.110 2.509 2.102 2.910 . 0 0 "[ . 1 . 2]" 1
635 1 36 GLN HA 1 61 ILE HA . . 5.050 4.214 3.948 4.362 . 0 0 "[ . 1 . 2]" 1
636 1 36 GLN HA 1 61 ILE MD . . 5.090 3.871 3.614 4.067 . 0 0 "[ . 1 . 2]" 1
637 1 36 GLN HA 1 61 ILE MG . . 5.500 5.539 5.428 5.636 0.136 15 0 "[ . 1 . 2]" 1
638 1 36 GLN HA 1 62 VAL H . . 5.500 5.133 4.694 5.539 0.039 19 0 "[ . 1 . 2]" 1
639 1 36 GLN HA 1 62 VAL QG . . 5.320 4.529 4.087 5.234 . 0 0 "[ . 1 . 2]" 1
640 1 36 GLN HB2 1 37 TYR H . . 3.750 3.246 2.596 4.276 0.526 11 1 "[ . 1+ . 2]" 1
641 1 36 GLN HB2 1 60 GLU QB . . 3.150 2.521 1.883 4.058 0.908 11 1 "[ . 1+ . 2]" 1
642 1 36 GLN HB3 1 37 TYR H . . 5.060 4.163 3.492 4.314 . 0 0 "[ . 1 . 2]" 1
643 1 36 GLN HG2 1 37 TYR H . . 4.770 4.579 4.039 5.558 0.788 18 2 "[ . - . + 2]" 1
644 1 36 GLN HG3 1 37 TYR H . . 5.400 4.307 3.002 4.983 . 0 0 "[ . 1 . 2]" 1
645 1 36 GLN HG3 1 62 VAL QG . . 4.320 3.516 3.030 5.005 0.685 11 1 "[ . 1+ . 2]" 1
646 1 37 TYR H 1 37 TYR QD . . 3.440 2.524 2.209 3.190 . 0 0 "[ . 1 . 2]" 1
647 1 37 TYR H 1 38 THR H . . 5.200 4.461 4.321 4.550 . 0 0 "[ . 1 . 2]" 1
648 1 37 TYR H 1 59 ALA MB . . 5.060 4.134 3.864 4.662 . 0 0 "[ . 1 . 2]" 1
649 1 37 TYR H 1 60 GLU H . . 4.780 4.782 4.596 4.927 0.147 9 0 "[ . 1 . 2]" 1
650 1 37 TYR H 1 60 GLU QB . . 4.350 3.936 3.446 4.166 . 0 0 "[ . 1 . 2]" 1
651 1 37 TYR H 1 61 ILE HA . . 4.430 3.027 2.795 3.316 . 0 0 "[ . 1 . 2]" 1
652 1 37 TYR H 1 61 ILE MD . . 4.610 3.244 2.864 3.513 . 0 0 "[ . 1 . 2]" 1
653 1 37 TYR H 1 61 ILE MG . . 5.440 4.195 4.030 4.391 . 0 0 "[ . 1 . 2]" 1
654 1 37 TYR H 1 62 VAL QG . . 5.500 3.992 3.251 4.598 . 0 0 "[ . 1 . 2]" 1
655 1 37 TYR HA 1 37 TYR QD . . 3.430 2.992 2.808 3.137 . 0 0 "[ . 1 . 2]" 1
656 1 37 TYR HA 1 38 THR H . . 3.130 2.203 2.157 2.257 . 0 0 "[ . 1 . 2]" 1
657 1 37 TYR QB 1 38 THR H . . 3.850 2.934 2.770 3.121 . 0 0 "[ . 1 . 2]" 1
658 1 37 TYR QB 1 38 THR HB . . 5.480 5.023 4.919 5.186 . 0 0 "[ . 1 . 2]" 1
659 1 37 TYR QB 1 39 VAL QG . . 4.310 3.187 3.063 3.408 . 0 0 "[ . 1 . 2]" 1
660 1 37 TYR QB 1 59 ALA MB . . 4.720 4.731 4.464 4.835 0.115 5 0 "[ . 1 . 2]" 1
661 1 37 TYR QB 1 61 ILE HA . . 4.050 3.665 3.306 3.968 . 0 0 "[ . 1 . 2]" 1
662 1 37 TYR QB 1 61 ILE MD . . 3.870 3.037 2.279 3.410 . 0 0 "[ . 1 . 2]" 1
663 1 37 TYR QB 1 61 ILE MG . . 4.620 3.375 2.841 3.701 . 0 0 "[ . 1 . 2]" 1
664 1 37 TYR QB 1 62 VAL H . . 4.940 4.281 3.903 4.555 . 0 0 "[ . 1 . 2]" 1
665 1 37 TYR QD 1 38 THR H . . 4.480 4.293 4.122 4.433 . 0 0 "[ . 1 . 2]" 1
666 1 37 TYR QD 1 39 VAL QG . . 4.950 4.689 4.531 4.860 . 0 0 "[ . 1 . 2]" 1
667 1 37 TYR QD 1 56 PRO HB3 . . 5.360 5.094 4.810 5.383 0.023 4 0 "[ . 1 . 2]" 1
668 1 37 TYR QD 1 56 PRO HD2 . . 3.780 3.581 3.198 3.825 0.045 19 0 "[ . 1 . 2]" 1
669 1 37 TYR QD 1 56 PRO HD3 . . 4.870 4.441 4.175 4.727 . 0 0 "[ . 1 . 2]" 1
670 1 37 TYR QD 1 56 PRO HG2 . . 4.490 2.598 2.310 2.939 . 0 0 "[ . 1 . 2]" 1
671 1 37 TYR QD 1 56 PRO HG3 . . 3.920 3.098 2.786 3.392 . 0 0 "[ . 1 . 2]" 1
672 1 37 TYR QD 1 59 ALA MB . . 2.880 2.839 2.608 2.922 0.042 15 0 "[ . 1 . 2]" 1
673 1 37 TYR QD 1 60 GLU H . . 4.960 4.943 4.818 5.038 0.078 15 0 "[ . 1 . 2]" 1
674 1 37 TYR QD 1 61 ILE HA . . 4.460 3.975 3.686 4.260 . 0 0 "[ . 1 . 2]" 1
675 1 37 TYR QD 1 61 ILE MD . . 3.450 2.508 2.199 2.861 . 0 0 "[ . 1 . 2]" 1
676 1 37 TYR QD 1 61 ILE MG . . 4.620 4.131 3.903 4.338 . 0 0 "[ . 1 . 2]" 1
677 1 37 TYR QD 1 62 VAL H . . 5.500 5.379 5.128 5.572 0.072 17 0 "[ . 1 . 2]" 1
678 1 38 THR H 1 38 THR HB . . 3.460 2.464 2.415 2.513 . 0 0 "[ . 1 . 2]" 1
679 1 38 THR H 1 38 THR MG . . 4.300 3.774 3.745 3.795 . 0 0 "[ . 1 . 2]" 1
680 1 38 THR H 1 39 VAL H . . 5.030 4.275 4.151 4.438 . 0 0 "[ . 1 . 2]" 1
681 1 38 THR H 1 40 TYR QR . . 5.500 5.234 4.904 5.495 . 0 0 "[ . 1 . 2]" 1
682 1 38 THR HA 1 38 THR MG . . 3.730 2.410 2.360 2.482 . 0 0 "[ . 1 . 2]" 1
683 1 38 THR HA 1 39 VAL H . . 3.200 2.165 2.142 2.193 . 0 0 "[ . 1 . 2]" 1
684 1 38 THR HA 1 61 ILE MG . . 4.650 4.603 4.262 4.717 0.067 17 0 "[ . 1 . 2]" 1
685 1 38 THR HA 1 62 VAL H . . 3.980 3.168 2.813 3.501 . 0 0 "[ . 1 . 2]" 1
686 1 38 THR HA 1 62 VAL HB . . 3.660 2.916 1.983 3.888 0.228 9 0 "[ . 1 . 2]" 1
687 1 38 THR HB 1 39 VAL H . . 4.970 4.416 4.262 4.497 . 0 0 "[ . 1 . 2]" 1
688 1 38 THR HB 1 40 TYR QR . . 4.790 3.459 2.939 3.892 . 0 0 "[ . 1 . 2]" 1
689 1 38 THR MG 1 39 VAL H . . 3.860 3.076 2.753 3.277 . 0 0 "[ . 1 . 2]" 1
690 1 38 THR MG 1 40 TYR QR . . 4.020 2.485 2.311 2.762 . 0 0 "[ . 1 . 2]" 1
691 1 38 THR MG 1 62 VAL HB . . 4.100 3.506 2.878 3.981 . 0 0 "[ . 1 . 2]" 1
692 1 38 THR MG 1 64 LYS H . . 4.800 4.580 4.059 4.834 0.034 9 0 "[ . 1 . 2]" 1
693 1 38 THR MG 1 64 LYS QD . . 4.130 2.325 1.979 3.374 . 0 0 "[ . 1 . 2]" 1
694 1 38 THR MG 1 64 LYS QE . . 4.900 2.934 1.907 3.663 . 0 0 "[ . 1 . 2]" 1
695 1 38 THR MG 1 64 LYS HG3 . . 4.010 2.163 1.916 2.594 . 0 0 "[ . 1 . 2]" 1
696 1 39 VAL H 1 39 VAL HB . . 4.170 2.705 2.579 3.738 . 0 0 "[ . 1 . 2]" 1
697 1 39 VAL H 1 39 VAL QG . . 3.540 2.094 1.873 2.350 . 0 0 "[ . 1 . 2]" 1
698 1 39 VAL H 1 61 ILE MG . . 5.100 3.687 3.354 4.048 . 0 0 "[ . 1 . 2]" 1
699 1 39 VAL H 1 62 VAL H . . 4.370 3.470 3.116 3.899 . 0 0 "[ . 1 . 2]" 1
700 1 39 VAL H 1 62 VAL HB . . 4.360 3.973 3.304 4.574 0.214 10 0 "[ . 1 . 2]" 1
701 1 39 VAL H 1 62 VAL QG . . 4.040 3.300 2.754 3.770 . 0 0 "[ . 1 . 2]" 1
702 1 39 VAL H 1 63 PHE HA . . 3.590 3.318 3.006 3.470 . 0 0 "[ . 1 . 2]" 1
703 1 39 VAL H 1 63 PHE QD . . 5.310 5.280 4.928 5.392 0.082 14 0 "[ . 1 . 2]" 1
704 1 39 VAL H 1 64 LYS H . . 4.820 4.247 3.891 4.389 . 0 0 "[ . 1 . 2]" 1
705 1 39 VAL H 1 64 LYS HG2 . . 5.390 5.099 4.311 5.500 0.110 3 0 "[ . 1 . 2]" 1
706 1 39 VAL H 1 64 LYS HG3 . . 5.500 3.846 3.479 4.163 . 0 0 "[ . 1 . 2]" 1
707 1 39 VAL HA 1 39 VAL QG . . 3.180 2.123 2.047 2.205 . 0 0 "[ . 1 . 2]" 1
708 1 39 VAL HA 1 40 TYR H . . 3.280 2.196 2.148 2.295 . 0 0 "[ . 1 . 2]" 1
709 1 39 VAL HA 1 40 TYR HB2 . . 4.890 4.419 4.277 4.627 . 0 0 "[ . 1 . 2]" 1
710 1 39 VAL HA 1 40 TYR QR . . 4.240 4.073 3.694 4.303 0.063 17 0 "[ . 1 . 2]" 1
711 1 39 VAL HB 1 40 TYR H . . 5.500 3.906 3.279 4.305 . 0 0 "[ . 1 . 2]" 1
712 1 39 VAL HB 1 61 ILE MG . . 4.600 3.577 3.367 4.640 0.040 16 0 "[ . 1 . 2]" 1
713 1 39 VAL HB 1 63 PHE HA . . 4.060 2.313 2.021 4.217 0.157 16 0 "[ . 1 . 2]" 1
714 1 39 VAL HB 1 63 PHE QD . . 3.450 3.493 3.352 3.853 0.403 16 0 "[ . 1 . 2]" 1
715 1 39 VAL HB 1 64 LYS H . . 4.660 3.335 3.081 4.820 0.160 16 0 "[ . 1 . 2]" 1
716 1 39 VAL QG 1 40 TYR H . . 4.060 2.387 2.000 3.543 . 0 0 "[ . 1 . 2]" 1
717 1 39 VAL QG 1 41 VAL QG . . 3.720 2.456 2.142 2.744 . 0 0 "[ . 1 . 2]" 1
718 1 39 VAL QG 1 53 ILE HA . . 3.770 2.523 2.109 3.359 . 0 0 "[ . 1 . 2]" 1
719 1 39 VAL QG 1 54 GLU H . . 4.150 2.174 1.878 2.570 . 0 0 "[ . 1 . 2]" 1
720 1 39 VAL QG 1 54 GLU HA . . 4.800 4.142 3.940 4.367 . 0 0 "[ . 1 . 2]" 1
721 1 39 VAL QG 1 56 PRO HD2 . . 5.130 3.863 3.638 4.209 . 0 0 "[ . 1 . 2]" 1
722 1 39 VAL QG 1 56 PRO HD3 . . 5.500 4.251 3.958 4.602 . 0 0 "[ . 1 . 2]" 1
723 1 39 VAL QG 1 61 ILE HA . . 4.680 3.665 3.440 3.980 . 0 0 "[ . 1 . 2]" 1
724 1 39 VAL QG 1 61 ILE MG . . 3.370 1.993 1.790 2.285 . 0 0 "[ . 1 . 2]" 1
725 1 39 VAL QG 1 62 VAL H . . 4.210 3.379 3.063 3.713 . 0 0 "[ . 1 . 2]" 1
726 1 39 VAL QG 1 63 PHE H . . 5.500 4.348 3.491 4.553 . 0 0 "[ . 1 . 2]" 1
727 1 39 VAL QG 1 63 PHE HA . . 4.450 3.095 1.815 3.284 . 0 0 "[ . 1 . 2]" 1
728 1 39 VAL QG 1 63 PHE QD . . 3.420 3.094 1.950 3.261 . 0 0 "[ . 1 . 2]" 1
729 1 39 VAL QG 1 64 LYS H . . 5.500 3.664 2.967 3.903 . 0 0 "[ . 1 . 2]" 1
730 1 40 TYR H 1 40 TYR HB2 . . 4.040 2.525 2.379 2.608 . 0 0 "[ . 1 . 2]" 1
731 1 40 TYR H 1 40 TYR QR . . 3.830 3.301 2.662 3.625 . 0 0 "[ . 1 . 2]" 1
732 1 40 TYR H 1 41 VAL H . . 5.040 4.230 4.014 4.493 . 0 0 "[ . 1 . 2]" 1
733 1 40 TYR H 1 41 VAL HA . . 5.460 4.887 4.733 5.241 . 0 0 "[ . 1 . 2]" 1
734 1 40 TYR H 1 41 VAL QG . . 5.220 3.986 3.768 4.417 . 0 0 "[ . 1 . 2]" 1
735 1 40 TYR H 1 53 ILE HA . . 5.250 4.991 4.106 5.331 0.081 16 0 "[ . 1 . 2]" 1
736 1 40 TYR H 1 64 LYS QB . . 4.580 4.565 4.334 4.660 0.080 4 0 "[ . 1 . 2]" 1
737 1 40 TYR HA 1 40 TYR QR . . 4.010 2.493 2.288 2.785 . 0 0 "[ . 1 . 2]" 1
738 1 40 TYR HA 1 41 VAL H . . 3.420 2.157 2.138 2.208 . 0 0 "[ . 1 . 2]" 1
739 1 40 TYR HA 1 41 VAL HA . . 5.400 4.407 4.394 4.431 . 0 0 "[ . 1 . 2]" 1
740 1 40 TYR HA 1 41 VAL QG . . 4.430 3.520 3.282 3.818 . 0 0 "[ . 1 . 2]" 1
741 1 40 TYR HA 1 64 LYS H . . 4.480 3.174 2.721 3.441 . 0 0 "[ . 1 . 2]" 1
742 1 40 TYR HA 1 64 LYS QB . . 4.090 2.262 2.064 2.570 . 0 0 "[ . 1 . 2]" 1
743 1 40 TYR HA 1 65 ILE HA . . 4.820 4.725 4.355 4.928 0.108 20 0 "[ . 1 . 2]" 1
744 1 40 TYR HB2 1 41 VAL H . . 5.500 4.381 4.060 4.519 . 0 0 "[ . 1 . 2]" 1
745 1 40 TYR HB3 1 41 VAL H . . 4.960 3.545 2.984 3.854 . 0 0 "[ . 1 . 2]" 1
746 1 40 TYR QR 1 41 VAL H . . 4.710 3.867 3.490 4.318 . 0 0 "[ . 1 . 2]" 1
747 1 40 TYR QR 1 64 LYS H . . 5.430 4.484 4.264 4.858 . 0 0 "[ . 1 . 2]" 1
748 1 40 TYR QR 1 64 LYS QB . . 3.950 2.122 1.901 2.483 . 0 0 "[ . 1 . 2]" 1
749 1 40 TYR QR 1 64 LYS QD . . 4.640 1.974 1.887 2.176 . 0 0 "[ . 1 . 2]" 1
750 1 40 TYR QR 1 64 LYS QE . . 5.110 3.781 2.963 4.096 . 0 0 "[ . 1 . 2]" 1
751 1 40 TYR QR 1 64 LYS HG2 . . 5.500 4.106 3.819 4.475 . 0 0 "[ . 1 . 2]" 1
752 1 40 TYR QR 1 64 LYS HG3 . . 4.620 3.407 2.847 3.741 . 0 0 "[ . 1 . 2]" 1
753 1 40 TYR QR 1 66 THR HB . . 5.380 5.282 5.047 5.454 0.074 15 0 "[ . 1 . 2]" 1
754 1 40 TYR QR 1 66 THR MG . . 5.500 4.409 4.158 4.693 . 0 0 "[ . 1 . 2]" 1
755 1 41 VAL H 1 41 VAL QG . . 3.960 2.277 1.858 2.917 . 0 0 "[ . 1 . 2]" 1
756 1 41 VAL H 1 42 LEU H . . 5.230 4.415 4.132 4.549 . 0 0 "[ . 1 . 2]" 1
757 1 41 VAL H 1 64 LYS H . . 4.400 3.466 2.916 3.947 . 0 0 "[ . 1 . 2]" 1
758 1 41 VAL H 1 65 ILE HA . . 4.440 3.101 2.632 3.402 . 0 0 "[ . 1 . 2]" 1
759 1 41 VAL H 1 65 ILE HG12 . . 5.190 5.147 4.924 5.243 0.053 14 0 "[ . 1 . 2]" 1
760 1 41 VAL H 1 66 THR MG . . 5.500 4.725 4.348 5.146 . 0 0 "[ . 1 . 2]" 1
761 1 41 VAL HA 1 42 LEU H . . 3.520 2.180 2.141 2.252 . 0 0 "[ . 1 . 2]" 1
762 1 41 VAL HA 1 42 LEU HA . . 5.360 4.411 4.393 4.442 . 0 0 "[ . 1 . 2]" 1
763 1 41 VAL HA 1 42 LEU HB3 . . 5.500 4.670 4.252 5.097 . 0 0 "[ . 1 . 2]" 1
764 1 41 VAL HA 1 52 PRO HD2 . . 4.750 4.561 4.142 4.859 0.109 3 0 "[ . 1 . 2]" 1
765 1 41 VAL HA 1 52 PRO QD . . 5.120 4.458 4.046 4.742 . 0 0 "[ . 1 . 2]" 1
766 1 41 VAL HA 1 53 ILE MD . . 5.500 3.744 3.013 4.757 . 0 0 "[ . 1 . 2]" 1
767 1 41 VAL HA 1 65 ILE MG . . 5.440 5.031 4.324 5.461 0.021 16 0 "[ . 1 . 2]" 1
768 1 41 VAL HB 1 63 PHE QD . . 5.500 5.414 4.921 5.758 0.258 20 0 "[ . 1 . 2]" 1
769 1 41 VAL HB 1 65 ILE HA . . 4.470 3.619 2.513 4.528 0.058 10 0 "[ . 1 . 2]" 1
770 1 41 VAL HB 1 65 ILE MD . . 5.500 4.897 3.789 5.612 0.112 9 0 "[ . 1 . 2]" 1
771 1 41 VAL HB 1 65 ILE HG12 . . 4.370 3.786 2.603 4.460 0.090 9 0 "[ . 1 . 2]" 1
772 1 41 VAL HB 1 65 ILE HG13 . . 4.670 3.670 2.187 4.676 0.006 9 0 "[ . 1 . 2]" 1
773 1 41 VAL HB 1 65 ILE MG . . 4.410 3.348 2.336 4.094 . 0 0 "[ . 1 . 2]" 1
774 1 41 VAL HB 1 74 PHE QD . . 5.160 5.032 4.429 5.219 0.059 17 0 "[ . 1 . 2]" 1
775 1 41 VAL HB 1 74 PHE QE . . 5.500 4.273 3.482 5.201 . 0 0 "[ . 1 . 2]" 1
776 1 41 VAL QG 1 42 LEU H . . 3.930 2.951 2.074 3.585 . 0 0 "[ . 1 . 2]" 1
777 1 41 VAL QG 1 52 PRO HD2 . . 5.050 4.686 4.307 5.011 . 0 0 "[ . 1 . 2]" 1
778 1 41 VAL QG 1 52 PRO QD . . 5.280 4.520 4.169 4.814 . 0 0 "[ . 1 . 2]" 1
779 1 41 VAL QG 1 53 ILE HA . . 4.660 3.374 2.847 3.667 . 0 0 "[ . 1 . 2]" 1
780 1 41 VAL QG 1 53 ILE HB . . 4.720 4.155 3.746 4.716 . 0 0 "[ . 1 . 2]" 1
781 1 41 VAL QG 1 53 ILE MD . . 3.750 2.392 1.780 3.149 . 0 0 "[ . 1 . 2]" 1
782 1 41 VAL QG 1 53 ILE MG . . 4.250 2.517 2.111 2.831 . 0 0 "[ . 1 . 2]" 1
783 1 41 VAL QG 1 63 PHE HB3 . . 5.310 3.566 2.740 4.225 . 0 0 "[ . 1 . 2]" 1
784 1 41 VAL QG 1 63 PHE QD . . 3.280 2.998 2.809 3.276 . 0 0 "[ . 1 . 2]" 1
785 1 41 VAL QG 1 64 LYS H . . 4.550 3.230 2.892 3.670 . 0 0 "[ . 1 . 2]" 1
786 1 41 VAL QG 1 65 ILE HA . . 4.310 2.600 1.857 3.602 . 0 0 "[ . 1 . 2]" 1
787 1 41 VAL QG 1 65 ILE MD . . 4.670 3.404 3.086 3.947 . 0 0 "[ . 1 . 2]" 1
788 1 41 VAL QG 1 65 ILE HG13 . . 4.470 2.433 1.913 3.270 . 0 0 "[ . 1 . 2]" 1
789 1 41 VAL QG 1 65 ILE MG . . 3.670 2.205 1.869 2.839 . 0 0 "[ . 1 . 2]" 1
790 1 41 VAL QG 1 66 THR H . . 5.280 3.647 3.134 4.330 . 0 0 "[ . 1 . 2]" 1
791 1 41 VAL QG 1 74 PHE QD . . 4.050 3.463 3.144 3.633 . 0 0 "[ . 1 . 2]" 1
792 1 41 VAL QG 1 74 PHE QE . . 3.710 2.698 2.258 3.323 . 0 0 "[ . 1 . 2]" 1
793 1 42 LEU H 1 42 LEU QD . . 5.210 3.807 3.568 3.996 . 0 0 "[ . 1 . 2]" 1
794 1 42 LEU H 1 43 ALA H . . 5.360 4.378 4.259 4.444 . 0 0 "[ . 1 . 2]" 1
795 1 42 LEU H 1 52 PRO HD2 . . 5.500 4.393 3.371 5.119 . 0 0 "[ . 1 . 2]" 1
796 1 42 LEU H 1 66 THR MG . . 5.500 5.330 4.981 5.554 0.054 19 0 "[ . 1 . 2]" 1
797 1 42 LEU HA 1 42 LEU QD . . 3.690 2.317 1.810 2.951 . 0 0 "[ . 1 . 2]" 1
798 1 42 LEU HA 1 43 ALA H . . 3.380 2.191 2.140 2.232 . 0 0 "[ . 1 . 2]" 1
799 1 42 LEU HA 1 43 ALA MB . . 4.660 3.871 3.805 3.954 . 0 0 "[ . 1 . 2]" 1
800 1 42 LEU HA 1 44 PHE QD . . 5.500 5.377 4.752 5.584 0.084 11 0 "[ . 1 . 2]" 1
801 1 42 LEU HA 1 65 ILE HA . . 5.370 4.475 4.165 4.803 . 0 0 "[ . 1 . 2]" 1
802 1 42 LEU HA 1 65 ILE MG . . 4.840 3.870 3.273 4.338 . 0 0 "[ . 1 . 2]" 1
803 1 42 LEU HA 1 66 THR H . . 4.720 3.447 3.038 3.799 . 0 0 "[ . 1 . 2]" 1
804 1 42 LEU HA 1 66 THR MG . . 5.180 3.368 3.072 3.588 . 0 0 "[ . 1 . 2]" 1
805 1 42 LEU HA 1 67 SER HA . . 5.360 4.914 4.470 5.205 . 0 0 "[ . 1 . 2]" 1
806 1 42 LEU HB2 1 43 ALA H . . 5.220 4.187 3.829 4.411 . 0 0 "[ . 1 . 2]" 1
807 1 42 LEU HB2 1 43 ALA MB . . 5.500 5.566 5.501 5.654 0.154 3 0 "[ . 1 . 2]" 1
808 1 42 LEU HB3 1 43 ALA H . . 5.070 3.960 3.667 4.191 . 0 0 "[ . 1 . 2]" 1
809 1 42 LEU HB3 1 43 ALA MB . . 5.500 4.964 4.743 5.226 . 0 0 "[ . 1 . 2]" 1
810 1 42 LEU HB3 1 44 PHE QD . . 5.500 4.801 3.915 5.277 . 0 0 "[ . 1 . 2]" 1
811 1 42 LEU HB3 1 66 THR MG . . 5.500 5.017 4.433 5.396 . 0 0 "[ . 1 . 2]" 1
812 1 42 LEU QD 1 43 ALA H . . 4.380 2.419 1.843 3.230 . 0 0 "[ . 1 . 2]" 1
813 1 42 LEU QD 1 43 ALA HA . . 3.680 3.145 2.564 3.684 0.004 12 0 "[ . 1 . 2]" 1
814 1 42 LEU QD 1 44 PHE H . . 5.350 3.431 2.797 3.913 . 0 0 "[ . 1 . 2]" 1
815 1 42 LEU QD 1 44 PHE HA . . 5.500 4.415 3.900 4.853 . 0 0 "[ . 1 . 2]" 1
816 1 42 LEU QD 1 44 PHE HB2 . . 5.500 4.463 4.086 4.866 . 0 0 "[ . 1 . 2]" 1
817 1 42 LEU QD 1 44 PHE QD . . 4.350 1.953 1.846 2.139 . 0 0 "[ . 1 . 2]" 1
818 1 42 LEU QD 1 44 PHE QE . . 4.730 2.218 1.860 2.864 . 0 0 "[ . 1 . 2]" 1
819 1 42 LEU QD 1 66 THR MG . . 4.310 2.239 1.813 2.968 . 0 0 "[ . 1 . 2]" 1
820 1 42 LEU QD 1 67 SER HA . . 4.460 3.260 2.980 3.621 . 0 0 "[ . 1 . 2]" 1
821 1 43 ALA H 1 44 PHE H . . 5.460 4.011 3.667 4.349 . 0 0 "[ . 1 . 2]" 1
822 1 43 ALA H 1 65 ILE MG . . 4.780 4.286 4.019 4.748 . 0 0 "[ . 1 . 2]" 1
823 1 43 ALA H 1 66 THR H . . 4.700 4.357 4.174 4.619 . 0 0 "[ . 1 . 2]" 1
824 1 43 ALA H 1 66 THR MG . . 5.500 4.357 4.068 4.712 . 0 0 "[ . 1 . 2]" 1
825 1 43 ALA H 1 67 SER HA . . 4.410 3.912 3.632 4.205 . 0 0 "[ . 1 . 2]" 1
826 1 43 ALA HA 1 44 PHE H . . 3.530 2.169 2.141 2.237 . 0 0 "[ . 1 . 2]" 1
827 1 43 ALA HA 1 44 PHE QD . . 4.710 3.886 3.001 4.557 . 0 0 "[ . 1 . 2]" 1
828 1 43 ALA HA 1 44 PHE QE . . 5.260 4.837 4.175 5.297 0.037 10 0 "[ . 1 . 2]" 1
829 1 43 ALA MB 1 44 PHE H . . 4.220 3.229 2.829 3.509 . 0 0 "[ . 1 . 2]" 1
830 1 43 ALA MB 1 44 PHE QD . . 5.500 4.832 4.329 5.229 . 0 0 "[ . 1 . 2]" 1
831 1 43 ALA MB 1 67 SER HA . . 5.500 5.211 4.849 5.435 . 0 0 "[ . 1 . 2]" 1
832 1 43 ALA MB 1 67 SER HB2 . . 5.380 5.355 5.068 5.485 0.105 16 0 "[ . 1 . 2]" 1
833 1 43 ALA MB 1 67 SER HB3 . . 5.500 4.251 3.888 5.365 . 0 0 "[ . 1 . 2]" 1
834 1 44 PHE H 1 44 PHE QD . . 3.990 2.834 1.939 3.161 . 0 0 "[ . 1 . 2]" 1
835 1 44 PHE H 1 44 PHE QE . . 5.280 4.079 3.818 4.240 . 0 0 "[ . 1 . 2]" 1
836 1 44 PHE H 1 45 ALA H . . 5.450 4.431 4.311 4.520 . 0 0 "[ . 1 . 2]" 1
837 1 44 PHE H 1 48 TYR HA . . 5.460 5.317 4.692 5.513 0.053 4 0 "[ . 1 . 2]" 1
838 1 44 PHE H 1 49 GLN H . . 5.500 5.405 4.967 5.544 0.044 9 0 "[ . 1 . 2]" 1
839 1 44 PHE HA 1 44 PHE QD . . 4.160 3.696 3.659 3.728 . 0 0 "[ . 1 . 2]" 1
840 1 44 PHE HA 1 45 ALA MB . . 4.170 3.941 3.886 3.997 . 0 0 "[ . 1 . 2]" 1
841 1 44 PHE HA 1 67 SER HA . . 4.730 4.716 4.480 4.800 0.070 20 0 "[ . 1 . 2]" 1
842 1 44 PHE HA 1 67 SER HB2 . . 5.230 4.940 4.330 5.300 0.070 15 0 "[ . 1 . 2]" 1
843 1 44 PHE HA 1 68 PRO HD2 . . 5.500 2.969 2.687 3.110 . 0 0 "[ . 1 . 2]" 1
844 1 44 PHE HA 1 69 ASP H . . 4.960 4.854 4.479 5.069 0.109 20 0 "[ . 1 . 2]" 1
845 1 44 PHE HA 1 70 VAL MG1 . . 5.500 4.094 3.430 4.541 . 0 0 "[ . 1 . 2]" 1
846 1 44 PHE HB2 1 45 ALA H . . 4.280 2.746 2.480 3.016 . 0 0 "[ . 1 . 2]" 1
847 1 44 PHE HB2 1 45 ALA MB . . 5.500 4.403 4.197 4.689 . 0 0 "[ . 1 . 2]" 1
848 1 44 PHE HB2 1 68 PRO HD2 . . 5.210 3.888 3.169 4.721 . 0 0 "[ . 1 . 2]" 1
849 1 44 PHE HB2 1 68 PRO HD3 . . 4.670 3.881 3.054 4.688 0.018 4 0 "[ . 1 . 2]" 1
850 1 44 PHE HB3 1 45 ALA H . . 3.970 3.824 3.516 4.149 0.179 13 0 "[ . 1 . 2]" 1
851 1 44 PHE HB3 1 45 ALA MB . . 5.350 5.435 5.178 5.702 0.352 13 0 "[ . 1 . 2]" 1
852 1 44 PHE HB3 1 67 SER HA . . 5.500 4.249 3.626 4.936 . 0 0 "[ . 1 . 2]" 1
853 1 44 PHE HB3 1 68 PRO HB3 . . 5.500 4.775 4.369 5.490 . 0 0 "[ . 1 . 2]" 1
854 1 44 PHE HB3 1 68 PRO HG2 . . 5.500 3.863 3.193 4.406 . 0 0 "[ . 1 . 2]" 1
855 1 44 PHE HB3 1 68 PRO HG3 . . 4.400 2.850 2.355 3.442 . 0 0 "[ . 1 . 2]" 1
856 1 44 PHE QD 1 45 ALA H . . 4.230 3.897 3.673 4.241 0.011 7 0 "[ . 1 . 2]" 1
857 1 44 PHE QD 1 45 ALA HA . . 4.950 4.267 3.832 4.904 . 0 0 "[ . 1 . 2]" 1
858 1 44 PHE QD 1 45 ALA MB . . 5.260 4.772 4.529 5.084 . 0 0 "[ . 1 . 2]" 1
859 1 44 PHE QD 1 46 PHE H . . 4.690 2.010 1.921 2.400 . 0 0 "[ . 1 . 2]" 1
860 1 44 PHE QD 1 47 GLY H . . 5.410 3.511 1.931 4.136 . 0 0 "[ . 1 . 2]" 1
861 1 44 PHE QD 1 48 TYR HA . . 4.990 4.926 4.670 5.088 0.098 9 0 "[ . 1 . 2]" 1
862 1 44 PHE QE 1 46 PHE H . . 4.240 4.154 3.712 4.392 0.152 8 0 "[ . 1 . 2]" 1
863 1 44 PHE QE 1 46 PHE QD . . 5.500 5.295 4.358 5.569 0.069 18 0 "[ . 1 . 2]" 1
864 1 44 PHE QE 1 47 GLY H . . 5.500 3.809 2.327 4.539 . 0 0 "[ . 1 . 2]" 1
865 1 44 PHE QE 1 47 GLY QA . . 4.160 2.360 1.958 3.039 . 0 0 "[ . 1 . 2]" 1
866 1 44 PHE QE 1 48 TYR H . . 4.750 2.956 2.459 3.634 . 0 0 "[ . 1 . 2]" 1
867 1 44 PHE QE 1 48 TYR HA . . 4.440 3.888 3.536 4.294 . 0 0 "[ . 1 . 2]" 1
868 1 44 PHE QE 1 49 GLN H . . 4.650 4.525 3.118 4.745 0.095 3 0 "[ . 1 . 2]" 1
869 1 45 ALA H 1 70 VAL MG1 . . 5.500 3.325 2.565 3.901 . 0 0 "[ . 1 . 2]" 1
870 1 45 ALA HA 1 46 PHE QD . . 4.470 4.509 4.056 4.636 0.166 8 0 "[ . 1 . 2]" 1
871 1 45 ALA HA 1 70 VAL MG1 . . 5.500 4.383 3.288 5.333 . 0 0 "[ . 1 . 2]" 1
872 1 45 ALA MB 1 46 PHE H . . 5.200 3.416 3.336 3.708 . 0 0 "[ . 1 . 2]" 1
873 1 45 ALA MB 1 46 PHE HA . . 4.970 4.055 3.984 4.159 . 0 0 "[ . 1 . 2]" 1
874 1 45 ALA MB 1 46 PHE QB . . 5.500 4.600 4.064 4.930 . 0 0 "[ . 1 . 2]" 1
875 1 45 ALA MB 1 46 PHE QD . . 4.190 3.227 2.960 3.720 . 0 0 "[ . 1 . 2]" 1
876 1 45 ALA MB 1 47 GLY H . . 5.360 4.734 4.240 5.407 0.047 19 0 "[ . 1 . 2]" 1
877 1 45 ALA MB 1 68 PRO HG3 . . 5.500 5.385 4.882 5.730 0.230 18 0 "[ . 1 . 2]" 1
878 1 46 PHE H 1 46 PHE QB . . 3.710 2.519 2.250 3.119 . 0 0 "[ . 1 . 2]" 1
879 1 46 PHE H 1 46 PHE QD . . 4.110 2.377 2.086 3.364 . 0 0 "[ . 1 . 2]" 1
880 1 46 PHE H 1 47 GLY H . . 5.500 3.372 2.127 3.858 . 0 0 "[ . 1 . 2]" 1
881 1 46 PHE HA 1 47 GLY QA . . 4.420 3.965 3.893 4.251 . 0 0 "[ . 1 . 2]" 1
882 1 46 PHE QB 1 47 GLY H . . 4.670 3.694 2.210 3.912 . 0 0 "[ . 1 . 2]" 1
883 1 46 PHE QB 1 47 GLY QA . . 5.230 3.981 3.502 4.078 . 0 0 "[ . 1 . 2]" 1
884 1 46 PHE QD 1 47 GLY H . . 5.240 4.774 4.099 4.947 . 0 0 "[ . 1 . 2]" 1
885 1 46 PHE QD 1 70 VAL MG1 . . 5.390 4.862 3.086 5.421 0.031 13 0 "[ . 1 . 2]" 1
886 1 47 GLY H 1 48 TYR H . . 5.380 4.358 3.643 4.559 . 0 0 "[ . 1 . 2]" 1
887 1 47 GLY QA 1 48 TYR H . . 3.230 2.175 2.109 2.283 . 0 0 "[ . 1 . 2]" 1
888 1 47 GLY QA 1 48 TYR HA . . 5.500 3.977 3.941 4.013 . 0 0 "[ . 1 . 2]" 1
889 1 48 TYR H 1 48 TYR HB3 . . 4.190 3.327 2.989 3.729 . 0 0 "[ . 1 . 2]" 1
890 1 48 TYR H 1 49 GLN H . . 5.460 4.337 3.969 4.457 . 0 0 "[ . 1 . 2]" 1
891 1 48 TYR HA 1 49 GLN H . . 3.510 2.260 2.139 2.390 . 0 0 "[ . 1 . 2]" 1
892 1 48 TYR HA 1 49 GLN HA . . 4.500 4.470 4.389 4.540 0.040 12 0 "[ . 1 . 2]" 1
893 1 48 TYR HB2 1 49 GLN H . . 4.440 3.778 2.635 4.530 0.090 8 0 "[ . 1 . 2]" 1
894 1 48 TYR HB3 1 49 GLN H . . 4.990 3.544 2.509 4.283 . 0 0 "[ . 1 . 2]" 1
895 1 50 PRO HA 1 51 ASN HA . . 4.600 4.469 4.418 4.510 . 0 0 "[ . 1 . 2]" 1
896 1 50 PRO HA 1 51 ASN HB3 . . 5.500 5.575 5.515 5.669 0.169 11 0 "[ . 1 . 2]" 1
897 1 50 PRO HB2 1 51 ASN H . . 3.940 2.531 2.209 3.307 . 0 0 "[ . 1 . 2]" 1
898 1 50 PRO HB2 1 52 PRO HD2 . . 3.480 3.561 3.521 3.625 0.145 3 0 "[ . 1 . 2]" 1
899 1 50 PRO HB3 1 51 ASN H . . 3.900 3.422 3.264 3.853 . 0 0 "[ . 1 . 2]" 1
900 1 50 PRO HB3 1 52 PRO HD2 . . 5.210 5.221 5.169 5.264 0.054 18 0 "[ . 1 . 2]" 1
901 1 50 PRO HB3 1 52 PRO QD . . 5.190 3.648 3.595 3.723 . 0 0 "[ . 1 . 2]" 1
902 1 51 ASN H 1 51 ASN HB2 . . 4.100 2.813 2.481 3.036 . 0 0 "[ . 1 . 2]" 1
903 1 51 ASN H 1 52 PRO HA . . 4.610 4.409 4.337 4.505 . 0 0 "[ . 1 . 2]" 1
904 1 51 ASN H 1 52 PRO HB3 . . 5.040 4.956 4.841 5.087 0.047 13 0 "[ . 1 . 2]" 1
905 1 51 ASN H 1 52 PRO HG3 . . 5.500 5.114 4.985 5.264 . 0 0 "[ . 1 . 2]" 1
906 1 51 ASN H 1 53 ILE MD . . 4.820 4.458 4.153 4.835 0.015 17 0 "[ . 1 . 2]" 1
907 1 51 ASN HA 1 52 PRO HB3 . . 5.500 5.352 5.305 5.393 . 0 0 "[ . 1 . 2]" 1
908 1 51 ASN HA 1 52 PRO HG3 . . 4.740 4.783 4.721 4.836 0.096 11 0 "[ . 1 . 2]" 1
909 1 51 ASN HB2 1 52 PRO HA . . 5.500 5.087 4.859 5.487 . 0 0 "[ . 1 . 2]" 1
910 1 51 ASN HB3 1 52 PRO HA . . 5.020 5.357 4.935 5.624 0.604 9 7 "[*-**. * +* . 2]" 1
911 1 51 ASN HB3 1 52 PRO HD3 . . 5.500 5.087 5.026 5.124 . 0 0 "[ . 1 . 2]" 1
912 1 51 ASN HB3 1 53 ILE H . . 5.500 4.571 3.655 5.872 0.372 6 0 "[ . 1 . 2]" 1
913 1 51 ASN HB3 1 53 ILE MD . . 5.120 2.230 1.951 2.881 . 0 0 "[ . 1 . 2]" 1
914 1 52 PRO HA 1 53 ILE HA . . 5.500 4.514 4.394 4.920 . 0 0 "[ . 1 . 2]" 1
915 1 52 PRO HA 1 53 ILE HB . . 5.500 5.114 4.927 5.415 . 0 0 "[ . 1 . 2]" 1
916 1 52 PRO HA 1 121 THR MG . . 5.180 5.174 4.728 5.420 0.240 9 0 "[ . 1 . 2]" 1
917 1 52 PRO HB2 1 53 ILE HA . . 5.350 4.512 4.341 4.789 . 0 0 "[ . 1 . 2]" 1
918 1 52 PRO QD 1 53 ILE MD . . 4.750 3.357 2.578 4.549 . 0 0 "[ . 1 . 2]" 1
919 1 52 PRO HD2 1 53 ILE MD . . 5.490 3.481 2.615 4.901 . 0 0 "[ . 1 . 2]" 1
920 1 53 ILE H 1 53 ILE HB . . 3.520 2.748 2.509 3.068 . 0 0 "[ . 1 . 2]" 1
921 1 53 ILE H 1 53 ILE HG12 . . 4.240 3.450 1.961 4.301 0.061 11 0 "[ . 1 . 2]" 1
922 1 53 ILE H 1 53 ILE HG13 . . 3.960 3.336 2.356 3.932 . 0 0 "[ . 1 . 2]" 1
923 1 53 ILE H 1 121 THR MG . . 4.930 4.007 3.508 4.513 . 0 0 "[ . 1 . 2]" 1
924 1 53 ILE HA 1 53 ILE MD . . 4.300 3.071 2.155 3.687 . 0 0 "[ . 1 . 2]" 1
925 1 53 ILE HA 1 53 ILE HG12 . . 3.900 3.426 3.311 3.557 . 0 0 "[ . 1 . 2]" 1
926 1 53 ILE HA 1 53 ILE HG13 . . 3.280 2.911 2.277 3.947 0.667 15 7 "[ ** * 1 * + -* 2]" 1
927 1 53 ILE HA 1 54 GLU H . . 3.200 2.206 2.141 2.340 . 0 0 "[ . 1 . 2]" 1
928 1 53 ILE HA 1 54 GLU HA . . 5.050 4.435 4.393 4.504 . 0 0 "[ . 1 . 2]" 1
929 1 53 ILE HA 1 122 ILE MG . . 5.430 5.432 5.207 5.502 0.072 7 0 "[ . 1 . 2]" 1
930 1 53 ILE HB 1 122 ILE H . . 5.500 4.729 4.441 4.960 . 0 0 "[ . 1 . 2]" 1
931 1 53 ILE HB 1 122 ILE HA . . 4.030 2.456 2.171 2.769 . 0 0 "[ . 1 . 2]" 1
932 1 53 ILE HB 1 122 ILE HB . . 5.460 5.324 4.886 5.628 0.168 7 0 "[ . 1 . 2]" 1
933 1 53 ILE HB 1 122 ILE MD . . 5.450 4.570 3.997 5.323 . 0 0 "[ . 1 . 2]" 1
934 1 53 ILE HB 1 122 ILE MG . . 4.380 3.938 3.521 4.503 0.123 7 0 "[ . 1 . 2]" 1
935 1 53 ILE HB 1 123 VAL H . . 4.310 3.097 2.372 3.733 . 0 0 "[ . 1 . 2]" 1
936 1 53 ILE MD 1 121 THR HB . . 4.970 3.156 1.897 5.018 0.048 18 0 "[ . 1 . 2]" 1
937 1 53 ILE MD 1 122 ILE H . . 5.440 4.879 4.279 5.539 0.099 8 0 "[ . 1 . 2]" 1
938 1 53 ILE MD 1 122 ILE HA . . 4.450 3.787 3.166 4.314 . 0 0 "[ . 1 . 2]" 1
939 1 53 ILE MD 1 122 ILE MD . . 4.490 3.971 3.586 4.512 0.022 7 0 "[ . 1 . 2]" 1
940 1 53 ILE MD 1 122 ILE MG . . 5.500 5.020 4.643 5.580 0.080 7 0 "[ . 1 . 2]" 1
941 1 53 ILE HG12 1 121 THR HB . . 4.990 4.789 3.882 5.542 0.552 15 1 "[ . 1 + 2]" 1
942 1 53 ILE HG12 1 122 ILE HA . . 5.500 4.202 3.814 4.550 . 0 0 "[ . 1 . 2]" 1
943 1 53 ILE MG 1 54 GLU H . . 4.050 2.477 1.956 3.418 . 0 0 "[ . 1 . 2]" 1
944 1 53 ILE MG 1 54 GLU HA . . 4.250 3.850 3.433 4.231 . 0 0 "[ . 1 . 2]" 1
945 1 53 ILE MG 1 63 PHE QD . . 4.350 3.164 2.361 3.928 . 0 0 "[ . 1 . 2]" 1
946 1 53 ILE MG 1 122 ILE HA . . 5.030 2.201 1.925 2.748 . 0 0 "[ . 1 . 2]" 1
947 1 53 ILE MG 1 123 VAL H . . 4.170 2.957 2.447 3.476 . 0 0 "[ . 1 . 2]" 1
948 1 54 GLU H 1 54 GLU HB2 . . 3.680 2.909 2.390 3.165 . 0 0 "[ . 1 . 2]" 1
949 1 54 GLU H 1 54 GLU HB3 . . 3.540 2.963 2.590 3.269 . 0 0 "[ . 1 . 2]" 1
950 1 54 GLU HA 1 54 GLU HG2 . . 3.390 3.083 2.924 3.246 . 0 0 "[ . 1 . 2]" 1
951 1 54 GLU HA 1 54 GLU HG3 . . 4.110 2.281 2.192 2.564 . 0 0 "[ . 1 . 2]" 1
952 1 54 GLU HA 1 55 VAL H . . 2.990 2.192 2.138 2.414 . 0 0 "[ . 1 . 2]" 1
953 1 54 GLU HA 1 55 VAL HA . . 5.230 4.427 4.391 4.557 . 0 0 "[ . 1 . 2]" 1
954 1 54 GLU HA 1 56 PRO HD3 . . 5.500 4.357 3.941 4.797 . 0 0 "[ . 1 . 2]" 1
955 1 54 GLU HA 1 122 ILE MG . . 5.110 4.532 3.891 4.892 . 0 0 "[ . 1 . 2]" 1
956 1 54 GLU HA 1 123 VAL H . . 4.060 3.707 2.874 4.101 0.041 15 0 "[ . 1 . 2]" 1
957 1 54 GLU HA 1 123 VAL QG . . 4.360 2.855 1.938 3.646 . 0 0 "[ . 1 . 2]" 1
958 1 54 GLU HA 1 125 LYS H . . 5.270 4.974 4.562 5.362 0.092 7 0 "[ . 1 . 2]" 1
959 1 54 GLU HA 1 125 LYS QD . . 5.330 4.302 3.863 5.109 . 0 0 "[ . 1 . 2]" 1
960 1 54 GLU HA 1 125 LYS QG . . 5.450 3.651 3.275 4.213 . 0 0 "[ . 1 . 2]" 1
961 1 54 GLU HB2 1 55 VAL H . . 4.340 4.330 3.949 4.533 0.193 15 0 "[ . 1 . 2]" 1
962 1 54 GLU HG2 1 55 VAL H . . 3.800 3.169 2.213 3.790 . 0 0 "[ . 1 . 2]" 1
963 1 54 GLU HG2 1 56 PRO HD2 . . 4.040 4.021 3.651 4.104 0.064 17 0 "[ . 1 . 2]" 1
964 1 54 GLU HG2 1 56 PRO HD3 . . 4.230 2.349 2.041 2.447 . 0 0 "[ . 1 . 2]" 1
965 1 54 GLU HG2 1 123 VAL QG . . 5.080 4.625 3.816 4.975 . 0 0 "[ . 1 . 2]" 1
966 1 54 GLU HG2 1 125 LYS QG . . 5.500 2.951 2.216 3.637 . 0 0 "[ . 1 . 2]" 1
967 1 54 GLU HG3 1 55 VAL H . . 3.880 3.152 2.503 3.688 . 0 0 "[ . 1 . 2]" 1
968 1 54 GLU HG3 1 123 VAL QG . . 3.620 3.401 2.421 3.686 0.066 17 0 "[ . 1 . 2]" 1
969 1 54 GLU HG3 1 125 LYS QG . . 4.440 2.314 1.979 2.692 . 0 0 "[ . 1 . 2]" 1
970 1 55 VAL H 1 56 PRO HD2 . . 5.160 4.083 3.814 4.264 . 0 0 "[ . 1 . 2]" 1
971 1 55 VAL H 1 56 PRO HD3 . . 5.040 3.343 2.960 3.614 . 0 0 "[ . 1 . 2]" 1
972 1 55 VAL H 1 122 ILE MG . . 4.630 4.031 3.737 4.282 . 0 0 "[ . 1 . 2]" 1
973 1 55 VAL H 1 123 VAL H . . 4.520 4.073 3.784 4.344 . 0 0 "[ . 1 . 2]" 1
974 1 55 VAL H 1 123 VAL HA . . 5.500 5.349 5.038 5.559 0.059 16 0 "[ . 1 . 2]" 1
975 1 55 VAL H 1 123 VAL QG . . 4.880 3.537 3.043 4.270 . 0 0 "[ . 1 . 2]" 1
976 1 55 VAL H 1 124 VAL HA . . 3.820 2.863 2.626 3.105 . 0 0 "[ . 1 . 2]" 1
977 1 55 VAL H 1 124 VAL MG2 . . 5.010 4.058 3.740 4.282 . 0 0 "[ . 1 . 2]" 1
978 1 55 VAL H 1 125 LYS H . . 4.980 3.531 3.267 3.778 . 0 0 "[ . 1 . 2]" 1
979 1 55 VAL H 1 125 LYS QD . . 4.920 4.441 4.252 4.774 . 0 0 "[ . 1 . 2]" 1
980 1 55 VAL H 1 125 LYS QG . . 5.220 3.362 3.078 3.625 . 0 0 "[ . 1 . 2]" 1
981 1 55 VAL H 1 125 LYS HG3 . . 4.900 4.929 4.563 5.253 0.353 14 0 "[ . 1 . 2]" 1
982 1 55 VAL HA 1 56 PRO HD2 . . 3.400 1.992 1.961 2.043 . 0 0 "[ . 1 . 2]" 1
983 1 55 VAL HA 1 56 PRO HD3 . . 3.310 2.768 2.705 2.861 . 0 0 "[ . 1 . 2]" 1
984 1 55 VAL HA 1 61 ILE MD . . 4.660 2.784 2.579 2.946 . 0 0 "[ . 1 . 2]" 1
985 1 55 VAL HA 1 61 ILE MG . . 5.500 2.153 1.942 2.387 . 0 0 "[ . 1 . 2]" 1
986 1 56 PRO HA 1 57 GLN H . . 2.960 2.152 2.152 2.154 . 0 0 "[ . 1 . 2]" 1
987 1 56 PRO HA 1 57 GLN HA . . 4.420 4.402 4.385 4.407 . 0 0 "[ . 1 . 2]" 1
988 1 56 PRO HA 1 57 GLN QB . . 4.330 4.306 4.255 4.338 0.008 14 0 "[ . 1 . 2]" 1
989 1 56 PRO HA 1 124 VAL MG1 . . 3.560 2.890 2.495 3.248 . 0 0 "[ . 1 . 2]" 1
990 1 56 PRO HA 1 125 LYS HB2 . . 3.810 3.533 3.079 3.831 0.021 10 0 "[ . 1 . 2]" 1
991 1 56 PRO HA 1 125 LYS QG . . 4.630 4.081 3.736 4.498 . 0 0 "[ . 1 . 2]" 1
992 1 56 PRO HA 1 126 GLU HA . . 5.150 4.959 4.692 5.122 . 0 0 "[ . 1 . 2]" 1
993 1 56 PRO HB2 1 57 GLN H . . 3.900 3.666 3.544 3.698 . 0 0 "[ . 1 . 2]" 1
994 1 56 PRO HB2 1 57 GLN HA . . 5.420 4.907 4.834 4.962 . 0 0 "[ . 1 . 2]" 1
995 1 56 PRO HB2 1 59 ALA H . . 5.270 4.230 3.838 4.518 . 0 0 "[ . 1 . 2]" 1
996 1 56 PRO HB2 1 59 ALA MB . . 5.500 3.248 2.921 3.564 . 0 0 "[ . 1 . 2]" 1
997 1 56 PRO HB2 1 61 ILE MD . . 3.800 3.710 3.536 3.981 0.181 8 0 "[ . 1 . 2]" 1
998 1 56 PRO HB3 1 59 ALA MB . . 5.010 4.617 4.300 4.911 . 0 0 "[ . 1 . 2]" 1
999 1 56 PRO HB3 1 61 ILE MD . . 4.730 4.292 4.166 4.494 . 0 0 "[ . 1 . 2]" 1
1000 1 56 PRO HD2 1 59 ALA MB . . 4.670 4.588 4.164 4.774 0.104 20 0 "[ . 1 . 2]" 1
1001 1 56 PRO HD2 1 61 ILE MD . . 3.890 1.890 1.858 1.918 . 0 0 "[ . 1 . 2]" 1
1002 1 56 PRO HD3 1 59 ALA MB . . 5.410 5.391 5.063 5.575 0.165 15 0 "[ . 1 . 2]" 1
1003 1 56 PRO HD3 1 61 ILE MD . . 5.110 3.322 3.270 3.377 . 0 0 "[ . 1 . 2]" 1
1004 1 56 PRO HD3 1 61 ILE MG . . 5.500 3.971 3.671 4.185 . 0 0 "[ . 1 . 2]" 1
1005 1 56 PRO HG2 1 57 GLN H . . 5.030 5.003 4.964 5.012 . 0 0 "[ . 1 . 2]" 1
1006 1 56 PRO HG2 1 59 ALA H . . 4.540 4.427 4.072 4.576 0.036 18 0 "[ . 1 . 2]" 1
1007 1 56 PRO HG2 1 59 ALA MB . . 3.990 2.820 2.534 2.962 . 0 0 "[ . 1 . 2]" 1
1008 1 56 PRO HG3 1 61 ILE MG . . 5.500 4.859 4.475 5.161 . 0 0 "[ . 1 . 2]" 1
1009 1 57 GLN H 1 57 GLN QB . . 3.090 2.388 2.314 2.437 . 0 0 "[ . 1 . 2]" 1
1010 1 57 GLN H 1 57 GLN HG2 . . 3.910 3.292 2.718 3.446 . 0 0 "[ . 1 . 2]" 1
1011 1 57 GLN H 1 57 GLN HG3 . . 4.070 3.862 3.841 4.026 . 0 0 "[ . 1 . 2]" 1
1012 1 57 GLN H 1 58 GLY H . . 5.250 4.635 4.627 4.643 . 0 0 "[ . 1 . 2]" 1
1013 1 57 GLN H 1 59 ALA H . . 5.140 4.751 4.623 4.829 . 0 0 "[ . 1 . 2]" 1
1014 1 57 GLN H 1 97 PHE HB2 . . 5.500 4.946 4.256 5.293 . 0 0 "[ . 1 . 2]" 1
1015 1 57 GLN H 1 97 PHE HB3 . . 5.340 4.788 4.458 5.592 0.252 18 0 "[ . 1 . 2]" 1
1016 1 57 GLN H 1 100 PRO HA . . 5.310 5.075 4.640 5.335 0.025 1 0 "[ . 1 . 2]" 1
1017 1 57 GLN H 1 124 VAL MG1 . . 4.480 2.408 2.013 2.708 . 0 0 "[ . 1 . 2]" 1
1018 1 57 GLN H 1 124 VAL MG2 . . 5.500 4.482 4.027 4.712 . 0 0 "[ . 1 . 2]" 1
1019 1 57 GLN H 1 125 LYS H . . 4.290 3.888 3.670 4.293 0.003 14 0 "[ . 1 . 2]" 1
1020 1 57 GLN H 1 126 GLU HA . . 4.310 4.278 4.200 4.364 0.054 19 0 "[ . 1 . 2]" 1
1021 1 57 GLN HA 1 57 GLN HE21 . . 5.000 4.837 4.038 5.035 0.035 12 0 "[ . 1 . 2]" 1
1022 1 57 GLN HA 1 57 GLN HG2 . . 4.060 3.617 3.574 3.632 . 0 0 "[ . 1 . 2]" 1
1023 1 57 GLN HA 1 57 GLN HG3 . . 4.250 4.204 3.917 4.228 . 0 0 "[ . 1 . 2]" 1
1024 1 57 GLN HA 1 58 GLY H . . 3.190 2.310 2.248 2.330 . 0 0 "[ . 1 . 2]" 1
1025 1 57 GLN HA 1 58 GLY HA2 . . 4.600 4.539 4.498 4.555 . 0 0 "[ . 1 . 2]" 1
1026 1 57 GLN HA 1 58 GLY HA3 . . 5.500 4.484 4.454 4.512 . 0 0 "[ . 1 . 2]" 1
1027 1 57 GLN HA 1 59 ALA H . . 4.260 3.256 3.099 3.528 . 0 0 "[ . 1 . 2]" 1
1028 1 57 GLN HA 1 59 ALA MB . . 5.500 4.876 4.661 5.079 . 0 0 "[ . 1 . 2]" 1
1029 1 57 GLN HA 1 96 THR MG . . 4.700 4.415 2.235 4.728 0.028 18 0 "[ . 1 . 2]" 1
1030 1 57 GLN HA 1 97 PHE H . . 5.500 2.661 2.445 2.799 . 0 0 "[ . 1 . 2]" 1
1031 1 57 GLN HA 1 97 PHE HB2 . . 4.600 3.737 3.033 4.033 . 0 0 "[ . 1 . 2]" 1
1032 1 57 GLN HA 1 97 PHE HB3 . . 4.980 3.788 3.518 4.453 . 0 0 "[ . 1 . 2]" 1
1033 1 57 GLN HA 1 97 PHE QD . . 5.290 5.306 4.189 5.457 0.167 19 0 "[ . 1 . 2]" 1
1034 1 57 GLN HA 1 124 VAL MG2 . . 4.920 4.863 4.383 5.028 0.108 18 0 "[ . 1 . 2]" 1
1035 1 57 GLN QB 1 57 GLN HE21 . . 4.110 2.416 1.910 2.607 . 0 0 "[ . 1 . 2]" 1
1036 1 57 GLN QB 1 57 GLN HE22 . . 4.640 3.481 3.140 3.592 . 0 0 "[ . 1 . 2]" 1
1037 1 57 GLN QB 1 57 GLN HG2 . . 2.730 2.420 2.391 2.514 . 0 0 "[ . 1 . 2]" 1
1038 1 57 GLN QB 1 58 GLY H . . 3.920 2.686 2.623 2.873 . 0 0 "[ . 1 . 2]" 1
1039 1 57 GLN QB 1 58 GLY HA2 . . 5.500 4.372 4.329 4.494 . 0 0 "[ . 1 . 2]" 1
1040 1 57 GLN QB 1 59 ALA H . . 4.770 4.548 4.431 4.706 . 0 0 "[ . 1 . 2]" 1
1041 1 57 GLN QB 1 97 PHE HB2 . . 5.190 3.333 2.514 3.572 . 0 0 "[ . 1 . 2]" 1
1042 1 57 GLN QB 1 97 PHE HB3 . . 5.500 2.537 2.303 3.171 . 0 0 "[ . 1 . 2]" 1
1043 1 57 GLN QB 1 98 LYS H . . 5.250 3.310 3.039 3.569 . 0 0 "[ . 1 . 2]" 1
1044 1 57 GLN QB 1 98 LYS HA . . 3.500 2.448 2.112 2.702 . 0 0 "[ . 1 . 2]" 1
1045 1 57 GLN QB 1 99 ARG HA . . 4.810 3.779 3.616 3.926 . 0 0 "[ . 1 . 2]" 1
1046 1 57 GLN QB 1 124 VAL MG2 . . 4.690 3.932 3.590 4.144 . 0 0 "[ . 1 . 2]" 1
1047 1 57 GLN QB 1 126 GLU HA . . 5.160 4.827 4.764 4.899 . 0 0 "[ . 1 . 2]" 1
1048 1 57 GLN HE21 1 98 LYS H . . 5.500 5.348 4.998 5.539 0.039 11 0 "[ . 1 . 2]" 1
1049 1 57 GLN HE21 1 99 ARG HA . . 4.250 2.953 2.559 3.884 . 0 0 "[ . 1 . 2]" 1
1050 1 57 GLN HE21 1 99 ARG QG . . 5.500 4.906 4.392 5.566 0.066 17 0 "[ . 1 . 2]" 1
1051 1 57 GLN HE21 1 100 PRO HA . . 4.450 2.821 2.319 3.395 . 0 0 "[ . 1 . 2]" 1
1052 1 57 GLN HE21 1 100 PRO QB . . 4.070 3.435 2.960 3.823 . 0 0 "[ . 1 . 2]" 1
1053 1 57 GLN HE21 1 100 PRO HD2 . . 5.080 4.108 3.768 5.042 . 0 0 "[ . 1 . 2]" 1
1054 1 57 GLN HE21 1 100 PRO HG2 . . 5.080 5.086 4.624 5.898 0.818 17 1 "[ . 1 . + 2]" 1
1055 1 57 GLN HE21 1 126 GLU HA . . 3.620 3.364 3.324 3.491 . 0 0 "[ . 1 . 2]" 1
1056 1 57 GLN HE21 1 126 GLU QB . . 4.640 4.025 3.722 4.687 0.047 8 0 "[ . 1 . 2]" 1
1057 1 57 GLN HE21 1 126 GLU QG . . 5.440 4.953 3.322 5.447 0.007 14 0 "[ . 1 . 2]" 1
1058 1 57 GLN HE22 1 57 GLN HG3 . . 3.560 3.573 3.514 4.090 0.530 17 1 "[ . 1 . + 2]" 1
1059 1 57 GLN HE22 1 99 ARG HA . . 4.980 4.276 2.956 4.700 . 0 0 "[ . 1 . 2]" 1
1060 1 57 GLN HE22 1 100 PRO HA . . 4.310 2.943 2.582 3.473 . 0 0 "[ . 1 . 2]" 1
1061 1 57 GLN HE22 1 100 PRO QB . . 4.010 2.788 2.288 3.123 . 0 0 "[ . 1 . 2]" 1
1062 1 57 GLN HE22 1 100 PRO HD2 . . 5.170 4.813 3.474 5.305 0.135 11 0 "[ . 1 . 2]" 1
1063 1 57 GLN HE22 1 125 LYS H . . 5.460 4.264 3.939 5.149 . 0 0 "[ . 1 . 2]" 1
1064 1 57 GLN HE22 1 126 GLU HA . . 3.320 2.031 1.916 3.086 . 0 0 "[ . 1 . 2]" 1
1065 1 57 GLN HE22 1 126 GLU QB . . 4.770 3.081 2.731 3.687 . 0 0 "[ . 1 . 2]" 1
1066 1 57 GLN HE22 1 126 GLU QG . . 4.400 3.864 2.397 4.408 0.008 17 0 "[ . 1 . 2]" 1
1067 1 57 GLN HG2 1 58 GLY H . . 5.100 3.643 3.505 4.125 . 0 0 "[ . 1 . 2]" 1
1068 1 57 GLN HG2 1 58 GLY HA3 . . 4.290 3.532 3.411 3.999 . 0 0 "[ . 1 . 2]" 1
1069 1 57 GLN HG3 1 58 GLY H . . 4.450 4.473 3.935 4.562 0.112 4 0 "[ . 1 . 2]" 1
1070 1 57 GLN HG3 1 58 GLY HA2 . . 5.500 5.513 4.662 5.636 0.136 8 0 "[ . 1 . 2]" 1
1071 1 57 GLN HG3 1 98 LYS H . . 5.500 4.790 4.489 5.202 . 0 0 "[ . 1 . 2]" 1
1072 1 57 GLN HG3 1 98 LYS HA . . 4.320 3.483 2.878 3.687 . 0 0 "[ . 1 . 2]" 1
1073 1 57 GLN HG3 1 126 GLU HA . . 4.290 4.352 4.264 5.110 0.820 17 1 "[ . 1 . + 2]" 1
1074 1 58 GLY H 1 59 ALA H . . 3.590 2.751 2.586 3.050 . 0 0 "[ . 1 . 2]" 1
1075 1 58 GLY H 1 59 ALA MB . . 5.370 4.750 4.643 4.915 . 0 0 "[ . 1 . 2]" 1
1076 1 58 GLY H 1 96 THR HA . . 5.500 4.881 4.594 5.178 . 0 0 "[ . 1 . 2]" 1
1077 1 58 GLY H 1 96 THR MG . . 4.300 3.510 2.197 3.738 . 0 0 "[ . 1 . 2]" 1
1078 1 58 GLY H 1 97 PHE H . . 5.500 3.883 3.705 4.017 . 0 0 "[ . 1 . 2]" 1
1079 1 58 GLY H 1 97 PHE HB2 . . 5.440 5.357 4.639 5.507 0.067 12 0 "[ . 1 . 2]" 1
1080 1 58 GLY H 1 97 PHE HB3 . . 5.050 5.059 4.900 5.525 0.475 18 0 "[ . 1 . 2]" 1
1081 1 58 GLY H 1 98 LYS HA . . 4.480 3.604 3.155 3.996 . 0 0 "[ . 1 . 2]" 1
1082 1 58 GLY HA2 1 59 ALA MB . . 5.500 4.764 4.695 4.891 . 0 0 "[ . 1 . 2]" 1
1083 1 58 GLY HA2 1 96 THR MG . . 4.230 4.184 3.469 4.335 0.105 16 0 "[ . 1 . 2]" 1
1084 1 58 GLY HA2 1 98 LYS HA . . 5.490 4.515 3.933 4.977 . 0 0 "[ . 1 . 2]" 1
1085 1 58 GLY HA3 1 59 ALA MB . . 5.500 4.065 3.998 4.155 . 0 0 "[ . 1 . 2]" 1
1086 1 59 ALA H 1 59 ALA MB . . 3.350 2.478 2.259 2.594 . 0 0 "[ . 1 . 2]" 1
1087 1 59 ALA H 1 60 GLU H . . 4.620 4.474 4.395 4.545 . 0 0 "[ . 1 . 2]" 1
1088 1 59 ALA H 1 61 ILE MD . . 5.380 3.683 3.572 3.797 . 0 0 "[ . 1 . 2]" 1
1089 1 59 ALA H 1 96 THR HB . . 5.500 4.599 4.123 5.102 . 0 0 "[ . 1 . 2]" 1
1090 1 59 ALA H 1 96 THR MG . . 4.540 4.358 2.258 4.697 0.157 4 0 "[ . 1 . 2]" 1
1091 1 59 ALA HA 1 60 GLU H . . 3.030 2.318 2.226 2.366 . 0 0 "[ . 1 . 2]" 1
1092 1 59 ALA HA 1 60 GLU QG . . 4.430 4.378 4.162 4.487 0.057 17 0 "[ . 1 . 2]" 1
1093 1 59 ALA HA 1 96 THR MG . . 5.500 4.828 3.553 5.172 . 0 0 "[ . 1 . 2]" 1
1094 1 59 ALA MB 1 60 GLU H . . 3.760 2.692 2.585 2.835 . 0 0 "[ . 1 . 2]" 1
1095 1 59 ALA MB 1 61 ILE H . . 5.500 5.301 5.234 5.371 . 0 0 "[ . 1 . 2]" 1
1096 1 59 ALA MB 1 61 ILE HA . . 5.030 5.033 4.988 5.086 0.056 20 0 "[ . 1 . 2]" 1
1097 1 59 ALA MB 1 61 ILE MD . . 3.930 2.647 2.498 2.753 . 0 0 "[ . 1 . 2]" 1
1098 1 59 ALA MB 1 61 ILE MG . . 5.500 5.152 5.025 5.239 . 0 0 "[ . 1 . 2]" 1
1099 1 59 ALA MB 1 96 THR HB . . 5.500 5.189 4.927 5.820 0.320 11 0 "[ . 1 . 2]" 1
1100 1 60 GLU H 1 60 GLU QB . . 3.260 2.247 2.128 2.396 . 0 0 "[ . 1 . 2]" 1
1101 1 60 GLU H 1 60 GLU QG . . 4.810 2.946 2.752 3.073 . 0 0 "[ . 1 . 2]" 1
1102 1 60 GLU H 1 61 ILE H . . 4.970 4.610 4.589 4.622 . 0 0 "[ . 1 . 2]" 1
1103 1 60 GLU H 1 61 ILE MD . . 5.260 3.854 3.730 3.960 . 0 0 "[ . 1 . 2]" 1
1104 1 60 GLU H 1 96 THR MG . . 5.500 5.069 4.011 5.428 . 0 0 "[ . 1 . 2]" 1
1105 1 60 GLU HA 1 60 GLU QG . . 3.660 2.238 2.108 2.362 . 0 0 "[ . 1 . 2]" 1
1106 1 60 GLU HA 1 61 ILE H . . 3.260 2.215 2.179 2.236 . 0 0 "[ . 1 . 2]" 1
1107 1 60 GLU HA 1 61 ILE MD . . 5.500 3.519 3.346 3.631 . 0 0 "[ . 1 . 2]" 1
1108 1 60 GLU HA 1 61 ILE HG12 . . 4.770 3.306 3.248 3.469 . 0 0 "[ . 1 . 2]" 1
1109 1 60 GLU HA 1 96 THR HB . . 4.030 2.715 2.386 3.324 . 0 0 "[ . 1 . 2]" 1
1110 1 60 GLU HA 1 96 THR MG . . 4.470 3.739 3.233 4.087 . 0 0 "[ . 1 . 2]" 1
1111 1 60 GLU QB 1 61 ILE H . . 4.160 2.944 2.846 3.059 . 0 0 "[ . 1 . 2]" 1
1112 1 60 GLU QB 1 96 THR HB . . 5.500 4.805 4.544 5.206 . 0 0 "[ . 1 . 2]" 1
1113 1 60 GLU QG 1 61 ILE H . . 4.030 3.719 3.325 4.094 0.064 10 0 "[ . 1 . 2]" 1
1114 1 60 GLU QG 1 62 VAL QG . . 4.930 4.647 4.316 4.933 0.003 11 0 "[ . 1 . 2]" 1
1115 1 60 GLU QG 1 96 THR HB . . 4.040 3.994 3.723 4.171 0.131 17 0 "[ . 1 . 2]" 1
1116 1 61 ILE H 1 61 ILE HB . . 3.890 2.923 2.822 2.967 . 0 0 "[ . 1 . 2]" 1
1117 1 61 ILE H 1 61 ILE MD . . 4.600 3.311 3.179 3.415 . 0 0 "[ . 1 . 2]" 1
1118 1 61 ILE H 1 61 ILE HG12 . . 4.390 2.515 2.421 2.597 . 0 0 "[ . 1 . 2]" 1
1119 1 61 ILE H 1 61 ILE HG13 . . 4.820 4.029 3.962 4.089 . 0 0 "[ . 1 . 2]" 1
1120 1 61 ILE H 1 61 ILE MG . . 4.640 3.944 3.917 3.959 . 0 0 "[ . 1 . 2]" 1
1121 1 61 ILE H 1 62 VAL QG . . 5.500 4.130 3.999 4.333 . 0 0 "[ . 1 . 2]" 1
1122 1 61 ILE H 1 63 PHE QD . . 5.420 5.504 5.233 5.806 0.386 16 0 "[ . 1 . 2]" 1
1123 1 61 ILE H 1 94 ARG HA . . 5.020 3.683 3.299 4.199 . 0 0 "[ . 1 . 2]" 1
1124 1 61 ILE H 1 95 TYR H . . 4.320 3.404 2.843 3.999 . 0 0 "[ . 1 . 2]" 1
1125 1 61 ILE H 1 96 THR H . . 5.500 4.938 4.126 5.272 . 0 0 "[ . 1 . 2]" 1
1126 1 61 ILE H 1 96 THR HA . . 4.520 4.368 4.006 4.584 0.064 12 0 "[ . 1 . 2]" 1
1127 1 61 ILE H 1 96 THR MG . . 4.990 4.675 4.174 5.002 0.012 18 0 "[ . 1 . 2]" 1
1128 1 61 ILE HA 1 61 ILE MD . . 3.670 2.241 2.161 2.301 . 0 0 "[ . 1 . 2]" 1
1129 1 61 ILE HA 1 62 VAL H . . 3.400 2.148 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
1130 1 61 ILE HA 1 62 VAL HA . . 5.490 4.402 4.389 4.454 . 0 0 "[ . 1 . 2]" 1
1131 1 61 ILE HA 1 62 VAL QG . . 4.390 3.601 3.284 4.040 . 0 0 "[ . 1 . 2]" 1
1132 1 61 ILE HB 1 63 PHE QD . . 3.880 3.613 3.268 3.943 0.063 10 0 "[ . 1 . 2]" 1
1133 1 61 ILE HB 1 94 ARG HA . . 4.910 4.411 4.196 4.825 . 0 0 "[ . 1 . 2]" 1
1134 1 61 ILE HB 1 95 TYR H . . 3.910 3.143 2.935 3.460 . 0 0 "[ . 1 . 2]" 1
1135 1 61 ILE MD 1 61 ILE MG . . 3.460 1.999 1.916 2.115 . 0 0 "[ . 1 . 2]" 1
1136 1 61 ILE MD 1 62 VAL H . . 4.050 4.014 3.877 4.090 0.040 15 0 "[ . 1 . 2]" 1
1137 1 61 ILE MD 1 95 TYR H . . 5.500 5.442 5.118 5.734 0.234 4 0 "[ . 1 . 2]" 1
1138 1 61 ILE HG12 1 62 VAL H . . 5.500 5.244 5.217 5.269 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ILE HG12 1 95 TYR H . . 5.500 4.434 3.991 4.840 . 0 0 "[ . 1 . 2]" 1
1140 1 61 ILE HG13 1 97 PHE H . . 5.500 4.131 3.692 4.625 . 0 0 "[ . 1 . 2]" 1
1141 1 61 ILE MG 1 62 VAL H . . 3.900 2.857 2.531 3.209 . 0 0 "[ . 1 . 2]" 1
1142 1 61 ILE MG 1 62 VAL HA . . 5.010 4.252 4.050 4.482 . 0 0 "[ . 1 . 2]" 1
1143 1 61 ILE MG 1 62 VAL HB . . 5.500 5.136 4.613 5.632 0.132 10 0 "[ . 1 . 2]" 1
1144 1 61 ILE MG 1 62 VAL QG . . 5.070 4.020 3.665 4.416 . 0 0 "[ . 1 . 2]" 1
1145 1 61 ILE MG 1 63 PHE H . . 5.350 3.812 3.536 4.290 . 0 0 "[ . 1 . 2]" 1
1146 1 61 ILE MG 1 63 PHE HA . . 5.280 3.936 3.680 4.076 . 0 0 "[ . 1 . 2]" 1
1147 1 61 ILE MG 1 63 PHE HB3 . . 5.500 5.141 4.897 5.435 . 0 0 "[ . 1 . 2]" 1
1148 1 61 ILE MG 1 63 PHE QD . . 3.710 3.343 2.927 3.715 0.005 13 0 "[ . 1 . 2]" 1
1149 1 61 ILE MG 1 94 ARG HA . . 5.500 5.208 4.858 5.507 0.007 10 0 "[ . 1 . 2]" 1
1150 1 61 ILE MG 1 95 TYR H . . 5.300 4.481 4.306 4.763 . 0 0 "[ . 1 . 2]" 1
1151 1 61 ILE MG 1 95 TYR QD . . 5.500 5.449 4.608 5.661 0.161 15 0 "[ . 1 . 2]" 1
1152 1 62 VAL H 1 62 VAL HB . . 3.860 3.010 2.345 3.617 . 0 0 "[ . 1 . 2]" 1
1153 1 62 VAL H 1 62 VAL QG . . 3.880 2.266 1.787 2.773 . 0 0 "[ . 1 . 2]" 1
1154 1 62 VAL H 1 63 PHE H . . 5.010 4.031 3.885 4.257 . 0 0 "[ . 1 . 2]" 1
1155 1 62 VAL H 1 63 PHE QD . . 5.500 4.990 4.645 5.360 . 0 0 "[ . 1 . 2]" 1
1156 1 62 VAL H 1 94 ARG QD . . 5.500 5.244 4.477 5.558 0.058 15 0 "[ . 1 . 2]" 1
1157 1 62 VAL HA 1 63 PHE H . . 3.390 2.232 2.180 2.260 . 0 0 "[ . 1 . 2]" 1
1158 1 62 VAL HA 1 63 PHE QD . . 3.870 3.716 3.489 3.928 0.058 8 0 "[ . 1 . 2]" 1
1159 1 62 VAL HA 1 93 VAL H . . 5.410 3.498 3.066 4.085 . 0 0 "[ . 1 . 2]" 1
1160 1 62 VAL HA 1 94 ARG HA . . 3.640 3.200 2.420 3.472 . 0 0 "[ . 1 . 2]" 1
1161 1 62 VAL HA 1 94 ARG QD . . 5.370 3.936 2.817 4.586 . 0 0 "[ . 1 . 2]" 1
1162 1 62 VAL HA 1 94 ARG QG . . 5.400 3.718 3.461 4.134 . 0 0 "[ . 1 . 2]" 1
1163 1 62 VAL HB 1 63 PHE H . . 5.420 4.239 3.822 4.523 . 0 0 "[ . 1 . 2]" 1
1164 1 62 VAL QG 1 63 PHE H . . 4.150 3.404 3.028 3.700 . 0 0 "[ . 1 . 2]" 1
1165 1 62 VAL QG 1 63 PHE QD . . 5.500 4.611 4.462 4.855 . 0 0 "[ . 1 . 2]" 1
1166 1 62 VAL QG 1 64 LYS QE . . 4.360 2.879 1.873 3.985 . 0 0 "[ . 1 . 2]" 1
1167 1 62 VAL QG 1 64 LYS HG3 . . 5.430 3.312 2.576 4.386 . 0 0 "[ . 1 . 2]" 1
1168 1 62 VAL QG 1 92 THR HA . . 5.110 3.597 2.669 4.591 . 0 0 "[ . 1 . 2]" 1
1169 1 62 VAL QG 1 92 THR HB . . 5.320 4.327 3.491 5.231 . 0 0 "[ . 1 . 2]" 1
1170 1 62 VAL QG 1 93 VAL H . . 5.410 3.471 2.684 4.439 . 0 0 "[ . 1 . 2]" 1
1171 1 62 VAL QG 1 93 VAL HA . . 5.500 4.766 4.244 5.178 . 0 0 "[ . 1 . 2]" 1
1172 1 62 VAL QG 1 94 ARG H . . 5.500 4.724 3.980 5.126 . 0 0 "[ . 1 . 2]" 1
1173 1 62 VAL QG 1 94 ARG HA . . 4.280 3.430 3.161 3.651 . 0 0 "[ . 1 . 2]" 1
1174 1 62 VAL QG 1 94 ARG QB . . 4.970 3.867 2.234 4.248 . 0 0 "[ . 1 . 2]" 1
1175 1 62 VAL QG 1 94 ARG QD . . 4.320 2.340 1.937 2.788 . 0 0 "[ . 1 . 2]" 1
1176 1 62 VAL QG 1 94 ARG QG . . 4.190 2.795 2.336 3.328 . 0 0 "[ . 1 . 2]" 1
1177 1 62 VAL QG 1 95 TYR H . . 5.160 4.809 4.612 4.973 . 0 0 "[ . 1 . 2]" 1
1178 1 63 PHE H 1 63 PHE HB2 . . 4.040 2.423 2.277 2.591 . 0 0 "[ . 1 . 2]" 1
1179 1 63 PHE H 1 63 PHE QD . . 3.520 2.059 1.903 2.330 . 0 0 "[ . 1 . 2]" 1
1180 1 63 PHE H 1 64 LYS H . . 4.720 4.589 4.518 4.617 . 0 0 "[ . 1 . 2]" 1
1181 1 63 PHE H 1 64 LYS HA . . 5.500 5.456 5.357 5.513 0.013 8 0 "[ . 1 . 2]" 1
1182 1 63 PHE H 1 65 ILE MD . . 5.500 5.274 5.015 5.518 0.018 4 0 "[ . 1 . 2]" 1
1183 1 63 PHE H 1 92 THR HA . . 4.950 4.428 4.018 4.847 . 0 0 "[ . 1 . 2]" 1
1184 1 63 PHE H 1 92 THR MG . . 5.340 4.517 3.831 5.618 0.278 5 0 "[ . 1 . 2]" 1
1185 1 63 PHE H 1 93 VAL H . . 4.320 2.914 2.505 3.317 . 0 0 "[ . 1 . 2]" 1
1186 1 63 PHE H 1 93 VAL HB . . 4.990 4.050 2.848 5.172 0.182 15 0 "[ . 1 . 2]" 1
1187 1 63 PHE H 1 93 VAL QG . . 5.070 3.069 2.332 3.835 . 0 0 "[ . 1 . 2]" 1
1188 1 63 PHE H 1 94 ARG HA . . 4.290 4.136 3.227 4.333 0.043 7 0 "[ . 1 . 2]" 1
1189 1 63 PHE H 1 94 ARG QG . . 5.500 5.110 4.792 5.333 . 0 0 "[ . 1 . 2]" 1
1190 1 63 PHE HA 1 63 PHE QD . . 3.540 3.050 2.917 3.115 . 0 0 "[ . 1 . 2]" 1
1191 1 63 PHE HA 1 64 LYS H . . 3.320 2.192 2.147 2.231 . 0 0 "[ . 1 . 2]" 1
1192 1 63 PHE HA 1 64 LYS HG2 . . 5.170 4.428 3.858 4.756 . 0 0 "[ . 1 . 2]" 1
1193 1 63 PHE HA 1 64 LYS HG3 . . 4.890 4.165 3.981 4.419 . 0 0 "[ . 1 . 2]" 1
1194 1 63 PHE HA 1 65 ILE H . . 5.500 5.512 5.427 5.580 0.080 16 0 "[ . 1 . 2]" 1
1195 1 63 PHE HA 1 65 ILE MD . . 5.500 4.690 4.279 5.314 . 0 0 "[ . 1 . 2]" 1
1196 1 63 PHE HB2 1 64 LYS H . . 4.870 4.110 3.869 4.316 . 0 0 "[ . 1 . 2]" 1
1197 1 63 PHE HB2 1 65 ILE MD . . 4.660 3.318 3.041 3.605 . 0 0 "[ . 1 . 2]" 1
1198 1 63 PHE HB2 1 65 ILE HG13 . . 5.500 4.772 4.112 5.051 . 0 0 "[ . 1 . 2]" 1
1199 1 63 PHE HB2 1 92 THR HA . . 5.500 4.597 4.160 5.080 . 0 0 "[ . 1 . 2]" 1
1200 1 63 PHE HB2 1 93 VAL H . . 4.710 3.232 2.763 3.574 . 0 0 "[ . 1 . 2]" 1
1201 1 63 PHE HB2 1 93 VAL HA . . 5.400 5.050 4.607 5.457 0.057 12 0 "[ . 1 . 2]" 1
1202 1 63 PHE HB2 1 93 VAL QG . . 4.180 2.298 1.860 2.951 . 0 0 "[ . 1 . 2]" 1
1203 1 63 PHE HB3 1 64 LYS H . . 4.590 3.069 2.921 3.342 . 0 0 "[ . 1 . 2]" 1
1204 1 63 PHE HB3 1 65 ILE H . . 5.500 4.561 4.341 4.795 . 0 0 "[ . 1 . 2]" 1
1205 1 63 PHE HB3 1 65 ILE MD . . 4.520 2.754 2.346 3.616 . 0 0 "[ . 1 . 2]" 1
1206 1 63 PHE HB3 1 65 ILE HG12 . . 5.500 4.445 4.275 4.634 . 0 0 "[ . 1 . 2]" 1
1207 1 63 PHE HB3 1 65 ILE HG13 . . 5.410 3.439 3.292 3.575 . 0 0 "[ . 1 . 2]" 1
1208 1 63 PHE HB3 1 74 PHE QE . . 5.500 3.149 2.735 3.393 . 0 0 "[ . 1 . 2]" 1
1209 1 63 PHE HB3 1 93 VAL H . . 5.100 4.644 4.215 5.031 . 0 0 "[ . 1 . 2]" 1
1210 1 63 PHE HB3 1 93 VAL QG . . 5.500 3.439 3.148 3.866 . 0 0 "[ . 1 . 2]" 1
1211 1 63 PHE QD 1 64 LYS H . . 4.100 4.051 3.692 4.186 0.086 16 0 "[ . 1 . 2]" 1
1212 1 63 PHE QD 1 65 ILE MD . . 4.790 4.134 3.662 4.684 . 0 0 "[ . 1 . 2]" 1
1213 1 63 PHE QD 1 74 PHE QE . . 4.280 3.241 2.491 3.753 . 0 0 "[ . 1 . 2]" 1
1214 1 63 PHE QD 1 74 PHE HZ . . 3.900 3.000 2.577 3.443 . 0 0 "[ . 1 . 2]" 1
1215 1 63 PHE QD 1 93 VAL H . . 5.300 4.112 3.713 4.641 . 0 0 "[ . 1 . 2]" 1
1216 1 63 PHE QD 1 93 VAL QG . . 4.770 2.641 1.905 3.459 . 0 0 "[ . 1 . 2]" 1
1217 1 63 PHE QD 1 94 ARG H . . 5.500 5.166 4.660 5.546 0.046 5 0 "[ . 1 . 2]" 1
1218 1 63 PHE QD 1 94 ARG HA . . 4.290 4.113 3.144 4.324 0.034 18 0 "[ . 1 . 2]" 1
1219 1 63 PHE QD 1 95 TYR H . . 4.300 3.457 2.922 4.012 . 0 0 "[ . 1 . 2]" 1
1220 1 63 PHE QD 1 95 TYR QB . . 4.120 3.664 2.846 3.959 . 0 0 "[ . 1 . 2]" 1
1221 1 63 PHE QD 1 122 ILE QG . . 5.500 3.810 3.336 5.699 0.199 8 0 "[ . 1 . 2]" 1
1222 1 63 PHE QE 1 122 ILE QG . . 4.280 2.514 2.094 4.141 . 0 0 "[ . 1 . 2]" 1
1223 1 64 LYS H 1 64 LYS QD . . 5.500 4.738 4.623 4.837 . 0 0 "[ . 1 . 2]" 1
1224 1 64 LYS H 1 64 LYS QE . . 5.500 5.252 4.956 5.432 . 0 0 "[ . 1 . 2]" 1
1225 1 64 LYS H 1 64 LYS HG2 . . 4.690 3.600 3.222 3.851 . 0 0 "[ . 1 . 2]" 1
1226 1 64 LYS H 1 64 LYS HG3 . . 4.260 3.371 3.120 3.581 . 0 0 "[ . 1 . 2]" 1
1227 1 64 LYS H 1 65 ILE H . . 5.260 3.915 3.869 4.008 . 0 0 "[ . 1 . 2]" 1
1228 1 64 LYS H 1 65 ILE MD . . 5.500 4.166 3.707 4.751 . 0 0 "[ . 1 . 2]" 1
1229 1 64 LYS H 1 65 ILE HG12 . . 5.500 5.409 5.190 5.597 0.097 5 0 "[ . 1 . 2]" 1
1230 1 64 LYS H 1 65 ILE HG13 . . 4.470 3.743 3.541 3.950 . 0 0 "[ . 1 . 2]" 1
1231 1 64 LYS H 1 92 THR HA . . 5.500 5.336 5.107 5.584 0.084 15 0 "[ . 1 . 2]" 1
1232 1 64 LYS H 1 93 VAL QG . . 5.500 5.201 4.944 5.374 . 0 0 "[ . 1 . 2]" 1
1233 1 64 LYS HA 1 64 LYS QD . . 4.390 3.650 3.490 3.752 . 0 0 "[ . 1 . 2]" 1
1234 1 64 LYS HA 1 64 LYS QE . . 5.160 3.857 3.198 4.817 . 0 0 "[ . 1 . 2]" 1
1235 1 64 LYS HA 1 64 LYS HG3 . . 3.790 3.506 3.375 3.706 . 0 0 "[ . 1 . 2]" 1
1236 1 64 LYS HA 1 65 ILE H . . 3.390 2.190 2.180 2.198 . 0 0 "[ . 1 . 2]" 1
1237 1 64 LYS HA 1 65 ILE HA . . 5.410 4.420 4.410 4.428 . 0 0 "[ . 1 . 2]" 1
1238 1 64 LYS HA 1 65 ILE HB . . 5.100 4.890 4.831 4.962 . 0 0 "[ . 1 . 2]" 1
1239 1 64 LYS HA 1 65 ILE MD . . 5.390 3.735 3.419 4.015 . 0 0 "[ . 1 . 2]" 1
1240 1 64 LYS HA 1 65 ILE HG13 . . 5.500 4.059 3.952 4.236 . 0 0 "[ . 1 . 2]" 1
1241 1 64 LYS HA 1 90 VAL QG . . 3.940 2.680 2.212 3.023 . 0 0 "[ . 1 . 2]" 1
1242 1 64 LYS HA 1 91 SER H . . 4.870 3.648 3.027 4.112 . 0 0 "[ . 1 . 2]" 1
1243 1 64 LYS HA 1 92 THR HA . . 4.030 3.542 3.097 3.752 . 0 0 "[ . 1 . 2]" 1
1244 1 64 LYS QB 1 90 VAL QG . . 5.490 2.014 1.844 2.313 . 0 0 "[ . 1 . 2]" 1
1245 1 64 LYS QD 1 65 ILE H . . 5.500 5.270 5.055 5.404 . 0 0 "[ . 1 . 2]" 1
1246 1 64 LYS QD 1 90 VAL QG . . 3.860 1.997 1.862 2.340 . 0 0 "[ . 1 . 2]" 1
1247 1 64 LYS QD 1 92 THR HA . . 5.130 4.971 4.282 5.179 0.049 20 0 "[ . 1 . 2]" 1
1248 1 64 LYS QE 1 90 VAL QG . . 3.840 2.534 1.925 3.616 . 0 0 "[ . 1 . 2]" 1
1249 1 64 LYS QE 1 92 THR MG . . 4.660 3.404 2.694 4.663 0.003 10 0 "[ . 1 . 2]" 1
1250 1 64 LYS HG2 1 65 ILE H . . 5.500 4.574 4.434 4.727 . 0 0 "[ . 1 . 2]" 1
1251 1 64 LYS HG2 1 90 VAL QG . . 4.220 3.141 2.674 3.598 . 0 0 "[ . 1 . 2]" 1
1252 1 64 LYS HG3 1 65 ILE H . . 5.500 5.559 5.470 5.692 0.192 8 0 "[ . 1 . 2]" 1
1253 1 64 LYS HG3 1 92 THR HA . . 5.500 4.843 4.168 5.670 0.170 8 0 "[ . 1 . 2]" 1
1254 1 65 ILE H 1 65 ILE HB . . 3.940 2.705 2.651 2.775 . 0 0 "[ . 1 . 2]" 1
1255 1 65 ILE H 1 65 ILE MD . . 4.800 2.457 2.058 2.670 . 0 0 "[ . 1 . 2]" 1
1256 1 65 ILE H 1 65 ILE HG12 . . 4.340 3.962 3.892 4.050 . 0 0 "[ . 1 . 2]" 1
1257 1 65 ILE H 1 65 ILE HG13 . . 5.080 2.658 2.467 2.868 . 0 0 "[ . 1 . 2]" 1
1258 1 65 ILE H 1 66 THR H . . 5.290 4.539 4.484 4.568 . 0 0 "[ . 1 . 2]" 1
1259 1 65 ILE H 1 90 VAL HA . . 5.050 4.098 3.792 4.324 . 0 0 "[ . 1 . 2]" 1
1260 1 65 ILE H 1 90 VAL QG . . 4.260 3.189 2.835 3.632 . 0 0 "[ . 1 . 2]" 1
1261 1 65 ILE H 1 91 SER H . . 4.700 2.828 2.449 3.182 . 0 0 "[ . 1 . 2]" 1
1262 1 65 ILE H 1 91 SER HA . . 5.500 5.038 4.486 5.312 . 0 0 "[ . 1 . 2]" 1
1263 1 65 ILE H 1 91 SER QB . . 4.890 3.446 2.256 4.230 . 0 0 "[ . 1 . 2]" 1
1264 1 65 ILE H 1 92 THR HA . . 5.060 4.933 4.295 5.219 0.159 12 0 "[ . 1 . 2]" 1
1265 1 65 ILE HA 1 66 THR H . . 3.430 2.274 2.186 2.350 . 0 0 "[ . 1 . 2]" 1
1266 1 65 ILE HA 1 66 THR HA . . 5.070 4.498 4.441 4.540 . 0 0 "[ . 1 . 2]" 1
1267 1 65 ILE HA 1 66 THR HB . . 5.480 4.328 4.261 4.434 . 0 0 "[ . 1 . 2]" 1
1268 1 65 ILE HA 1 66 THR MG . . 5.070 3.749 3.494 3.945 . 0 0 "[ . 1 . 2]" 1
1269 1 65 ILE HB 1 66 THR H . . 4.570 3.673 3.474 3.911 . 0 0 "[ . 1 . 2]" 1
1270 1 65 ILE HB 1 91 SER H . . 4.820 3.859 3.398 4.117 . 0 0 "[ . 1 . 2]" 1
1271 1 65 ILE HB 1 91 SER QB . . 4.080 3.678 3.335 3.781 . 0 0 "[ . 1 . 2]" 1
1272 1 65 ILE MD 1 66 THR H . . 5.500 4.990 4.856 5.143 . 0 0 "[ . 1 . 2]" 1
1273 1 65 ILE MD 1 73 GLY HA3 . . 5.500 4.891 3.391 5.572 0.072 13 0 "[ . 1 . 2]" 1
1274 1 65 ILE MD 1 74 PHE H . . 5.500 4.096 3.677 4.544 . 0 0 "[ . 1 . 2]" 1
1275 1 65 ILE MD 1 74 PHE HB3 . . 5.420 5.382 5.216 5.503 0.083 12 0 "[ . 1 . 2]" 1
1276 1 65 ILE MD 1 74 PHE QD . . 4.290 3.663 3.562 3.826 . 0 0 "[ . 1 . 2]" 1
1277 1 65 ILE MD 1 74 PHE QE . . 4.520 2.298 2.090 2.680 . 0 0 "[ . 1 . 2]" 1
1278 1 65 ILE MD 1 74 PHE HZ . . 5.260 2.440 2.181 2.677 . 0 0 "[ . 1 . 2]" 1
1279 1 65 ILE MD 1 83 VAL HB . . 5.500 3.427 3.031 4.112 . 0 0 "[ . 1 . 2]" 1
1280 1 65 ILE MD 1 83 VAL MG1 . . 4.550 3.764 3.227 4.368 . 0 0 "[ . 1 . 2]" 1
1281 1 65 ILE MD 1 83 VAL MG2 . . 3.790 3.464 3.033 3.821 0.031 8 0 "[ . 1 . 2]" 1
1282 1 65 ILE MD 1 90 VAL HA . . 5.500 5.419 5.112 5.606 0.106 2 0 "[ . 1 . 2]" 1
1283 1 65 ILE MD 1 91 SER H . . 5.500 3.925 3.634 4.106 . 0 0 "[ . 1 . 2]" 1
1284 1 65 ILE MD 1 91 SER HA . . 5.500 5.093 4.538 5.475 . 0 0 "[ . 1 . 2]" 1
1285 1 65 ILE MD 1 91 SER QB . . 4.860 2.760 2.009 3.163 . 0 0 "[ . 1 . 2]" 1
1286 1 65 ILE MD 1 92 THR HA . . 5.500 4.911 4.505 5.258 . 0 0 "[ . 1 . 2]" 1
1287 1 65 ILE MD 1 93 VAL H . . 5.500 4.795 4.056 5.408 . 0 0 "[ . 1 . 2]" 1
1288 1 65 ILE MD 1 93 VAL HB . . 5.170 4.458 3.768 5.181 0.011 7 0 "[ . 1 . 2]" 1
1289 1 65 ILE MD 1 93 VAL QG . . 4.310 3.047 2.276 3.525 . 0 0 "[ . 1 . 2]" 1
1290 1 65 ILE HG12 1 66 THR H . . 5.500 4.779 4.613 5.019 . 0 0 "[ . 1 . 2]" 1
1291 1 65 ILE HG12 1 73 GLY HA2 . . 5.500 4.768 3.668 5.606 0.106 12 0 "[ . 1 . 2]" 1
1292 1 65 ILE HG13 1 66 THR H . . 5.500 4.590 4.498 4.659 . 0 0 "[ . 1 . 2]" 1
1293 1 65 ILE HG13 1 74 PHE QE . . 3.860 2.674 2.354 2.843 . 0 0 "[ . 1 . 2]" 1
1294 1 65 ILE HG13 1 74 PHE HZ . . 4.480 3.945 3.527 4.203 . 0 0 "[ . 1 . 2]" 1
1295 1 65 ILE HG13 1 93 VAL QG . . 5.500 5.002 4.020 5.463 . 0 0 "[ . 1 . 2]" 1
1296 1 65 ILE MG 1 66 THR H . . 3.940 2.114 1.878 2.421 . 0 0 "[ . 1 . 2]" 1
1297 1 65 ILE MG 1 66 THR HA . . 3.620 3.502 3.317 3.665 0.045 8 0 "[ . 1 . 2]" 1
1298 1 65 ILE MG 1 66 THR HB . . 4.740 4.676 4.574 4.851 0.111 8 0 "[ . 1 . 2]" 1
1299 1 65 ILE MG 1 67 SER H . . 4.420 4.439 4.212 4.538 0.118 5 0 "[ . 1 . 2]" 1
1300 1 65 ILE MG 1 67 SER HB2 . . 5.190 5.153 4.367 5.342 0.152 7 0 "[ . 1 . 2]" 1
1301 1 65 ILE MG 1 67 SER HB3 . . 5.450 5.103 4.417 5.499 0.049 15 0 "[ . 1 . 2]" 1
1302 1 65 ILE MG 1 74 PHE QD . . 4.270 4.217 3.568 4.384 0.114 17 0 "[ . 1 . 2]" 1
1303 1 65 ILE MG 1 74 PHE QE . . 4.850 3.813 3.661 3.940 . 0 0 "[ . 1 . 2]" 1
1304 1 65 ILE MG 1 74 PHE HZ . . 5.500 5.517 5.188 5.625 0.125 18 0 "[ . 1 . 2]" 1
1305 1 65 ILE MG 1 91 SER H . . 5.500 4.988 4.545 5.185 . 0 0 "[ . 1 . 2]" 1
1306 1 65 ILE MG 1 91 SER QB . . 5.470 4.824 4.557 4.933 . 0 0 "[ . 1 . 2]" 1
1307 1 66 THR H 1 66 THR MG . . 4.270 2.628 2.436 2.780 . 0 0 "[ . 1 . 2]" 1
1308 1 66 THR H 1 67 SER HA . . 5.500 4.768 4.611 4.834 . 0 0 "[ . 1 . 2]" 1
1309 1 66 THR HA 1 67 SER H . . 3.470 2.188 2.149 2.244 . 0 0 "[ . 1 . 2]" 1
1310 1 66 THR HA 1 67 SER HA . . 4.820 4.429 4.400 4.466 . 0 0 "[ . 1 . 2]" 1
1311 1 66 THR HA 1 88 GLY H . . 4.840 3.975 3.528 4.451 . 0 0 "[ . 1 . 2]" 1
1312 1 66 THR HA 1 91 SER H . . 4.960 4.724 4.024 5.006 0.046 7 0 "[ . 1 . 2]" 1
1313 1 66 THR HB 1 67 SER H . . 4.230 4.197 4.060 4.263 0.033 14 0 "[ . 1 . 2]" 1
1314 1 66 THR HB 1 89 GLU H . . 4.890 4.903 4.666 4.972 0.082 14 0 "[ . 1 . 2]" 1
1315 1 66 THR HB 1 90 VAL H . . 5.500 4.701 3.892 5.487 . 0 0 "[ . 1 . 2]" 1
1316 1 66 THR HB 1 90 VAL HA . . 3.780 2.893 2.234 3.361 . 0 0 "[ . 1 . 2]" 1
1317 1 66 THR HB 1 90 VAL HB . . 5.260 4.088 2.481 5.329 0.069 5 0 "[ . 1 . 2]" 1
1318 1 66 THR HB 1 90 VAL QG . . 4.050 2.884 2.496 3.478 . 0 0 "[ . 1 . 2]" 1
1319 1 66 THR HB 1 91 SER H . . 5.210 4.524 3.918 4.936 . 0 0 "[ . 1 . 2]" 1
1320 1 66 THR MG 1 67 SER H . . 4.330 3.676 3.569 3.945 . 0 0 "[ . 1 . 2]" 1
1321 1 66 THR MG 1 67 SER HA . . 5.500 3.535 3.439 3.834 . 0 0 "[ . 1 . 2]" 1
1322 1 66 THR MG 1 67 SER HB2 . . 5.500 5.630 5.521 5.939 0.439 7 0 "[ . 1 . 2]" 1
1323 1 66 THR MG 1 88 GLY H . . 5.210 5.100 4.716 5.347 0.137 15 0 "[ . 1 . 2]" 1
1324 1 66 THR MG 1 89 GLU H . . 5.500 5.407 5.277 5.554 0.054 20 0 "[ . 1 . 2]" 1
1325 1 66 THR MG 1 90 VAL HA . . 5.030 4.461 3.924 4.863 . 0 0 "[ . 1 . 2]" 1
1326 1 66 THR MG 1 90 VAL QG . . 4.590 3.547 3.211 4.067 . 0 0 "[ . 1 . 2]" 1
1327 1 67 SER H 1 67 SER HB2 . . 4.050 3.170 2.536 3.591 . 0 0 "[ . 1 . 2]" 1
1328 1 67 SER H 1 68 PRO HA . . 5.200 5.068 4.975 5.221 0.021 15 0 "[ . 1 . 2]" 1
1329 1 67 SER H 1 87 PRO HA . . 4.580 2.688 2.242 2.975 . 0 0 "[ . 1 . 2]" 1
1330 1 67 SER H 1 87 PRO QB . . 5.090 3.398 3.146 3.721 . 0 0 "[ . 1 . 2]" 1
1331 1 67 SER H 1 88 GLY H . . 4.630 2.600 2.205 2.952 . 0 0 "[ . 1 . 2]" 1
1332 1 67 SER H 1 89 GLU H . . 5.200 3.743 3.645 3.968 . 0 0 "[ . 1 . 2]" 1
1333 1 67 SER HA 1 68 PRO HA . . 4.640 4.386 4.385 4.386 . 0 0 "[ . 1 . 2]" 1
1334 1 67 SER HA 1 68 PRO HB3 . . 4.890 4.870 4.859 4.893 0.003 7 0 "[ . 1 . 2]" 1
1335 1 67 SER HA 1 68 PRO HG2 . . 5.190 4.609 4.573 4.677 . 0 0 "[ . 1 . 2]" 1
1336 1 67 SER HA 1 68 PRO HG3 . . 4.750 4.546 4.517 4.604 . 0 0 "[ . 1 . 2]" 1
1337 1 67 SER HA 1 70 VAL H . . 5.500 5.144 4.666 5.556 0.056 14 0 "[ . 1 . 2]" 1
1338 1 67 SER HA 1 87 PRO HA . . 5.320 5.035 4.393 5.294 . 0 0 "[ . 1 . 2]" 1
1339 1 67 SER HA 1 87 PRO QB . . 4.440 4.312 4.174 4.525 0.085 2 0 "[ . 1 . 2]" 1
1340 1 67 SER HA 1 88 GLY H . . 4.770 4.758 4.533 4.866 0.096 9 0 "[ . 1 . 2]" 1
1341 1 67 SER HB2 1 68 PRO HA . . 5.480 4.908 4.640 5.571 0.091 15 0 "[ . 1 . 2]" 1
1342 1 67 SER HB2 1 69 ASP H . . 4.830 3.526 3.031 4.425 . 0 0 "[ . 1 . 2]" 1
1343 1 67 SER HB2 1 70 VAL H . . 5.500 2.530 2.132 3.113 . 0 0 "[ . 1 . 2]" 1
1344 1 67 SER HB2 1 70 VAL HB . . 5.500 4.231 3.981 5.027 . 0 0 "[ . 1 . 2]" 1
1345 1 67 SER HB2 1 87 PRO QB . . 5.500 2.230 2.001 2.825 . 0 0 "[ . 1 . 2]" 1
1346 1 67 SER HB2 1 88 GLY H . . 5.500 4.483 4.306 4.803 . 0 0 "[ . 1 . 2]" 1
1347 1 67 SER HB3 1 68 PRO HD3 . . 3.150 3.249 3.096 3.515 0.365 7 0 "[ . 1 . 2]" 1
1348 1 67 SER HB3 1 68 PRO HG2 . . 4.720 4.019 3.610 4.653 . 0 0 "[ . 1 . 2]" 1
1349 1 67 SER HB3 1 69 ASP H . . 4.830 3.856 3.011 4.588 . 0 0 "[ . 1 . 2]" 1
1350 1 67 SER HB3 1 70 VAL H . . 5.500 3.697 2.230 4.274 . 0 0 "[ . 1 . 2]" 1
1351 1 67 SER HB3 1 70 VAL HB . . 4.210 4.210 3.916 4.669 0.459 7 0 "[ . 1 . 2]" 1
1352 1 67 SER HB3 1 87 PRO QB . . 4.120 3.761 2.709 4.173 0.053 7 0 "[ . 1 . 2]" 1
1353 1 68 PRO HA 1 87 PRO QB . . 3.740 3.691 3.466 3.875 0.135 15 0 "[ . 1 . 2]" 1
1354 1 68 PRO HA 1 88 GLY H . . 5.500 4.374 3.907 4.713 . 0 0 "[ . 1 . 2]" 1
1355 1 68 PRO HD2 1 70 VAL HB . . 5.270 5.074 4.856 5.204 . 0 0 "[ . 1 . 2]" 1
1356 1 68 PRO HD2 1 70 VAL MG2 . . 5.500 2.378 2.139 2.504 . 0 0 "[ . 1 . 2]" 1
1357 1 68 PRO HG2 1 69 ASP H . . 4.150 1.842 1.802 1.898 . 0 0 "[ . 1 . 2]" 1
1358 1 68 PRO HG2 1 70 VAL MG2 . . 4.530 2.686 2.338 3.075 . 0 0 "[ . 1 . 2]" 1
1359 1 68 PRO HG3 1 70 VAL MG2 . . 3.990 3.855 3.525 4.083 0.093 14 0 "[ . 1 . 2]" 1
1360 1 69 ASP H 1 70 VAL H . . 4.110 2.678 2.053 3.087 . 0 0 "[ . 1 . 2]" 1
1361 1 69 ASP H 1 70 VAL MG1 . . 5.500 3.853 2.979 3.990 . 0 0 "[ . 1 . 2]" 1
1362 1 69 ASP H 1 70 VAL MG2 . . 5.240 2.416 2.175 2.932 . 0 0 "[ . 1 . 2]" 1
1363 1 69 ASP H 1 87 PRO QB . . 4.390 3.353 3.047 3.533 . 0 0 "[ . 1 . 2]" 1
1364 1 69 ASP HA 1 87 PRO QB . . 5.440 2.576 2.225 2.843 . 0 0 "[ . 1 . 2]" 1
1365 1 69 ASP HB2 1 70 VAL H . . 4.650 4.454 4.256 4.570 . 0 0 "[ . 1 . 2]" 1
1366 1 69 ASP HB2 1 70 VAL HA . . 5.500 5.400 5.258 5.586 0.086 15 0 "[ . 1 . 2]" 1
1367 1 69 ASP HB2 1 70 VAL MG1 . . 5.140 4.356 4.184 4.591 . 0 0 "[ . 1 . 2]" 1
1368 1 69 ASP HB2 1 70 VAL MG2 . . 4.290 4.183 3.924 5.257 0.967 15 1 "[ . 1 + 2]" 1
1369 1 69 ASP HB3 1 70 VAL H . . 4.820 4.308 4.165 4.358 . 0 0 "[ . 1 . 2]" 1
1370 1 69 ASP HB3 1 70 VAL HA . . 4.520 4.582 4.449 4.651 0.131 6 0 "[ . 1 . 2]" 1
1371 1 69 ASP HB3 1 70 VAL MG1 . . 4.960 4.141 3.541 4.348 . 0 0 "[ . 1 . 2]" 1
1372 1 69 ASP HB3 1 70 VAL MG2 . . 4.580 4.559 4.378 5.154 0.574 15 1 "[ . 1 + 2]" 1
1373 1 70 VAL H 1 70 VAL MG1 . . 3.900 3.625 2.934 3.757 . 0 0 "[ . 1 . 2]" 1
1374 1 70 VAL H 1 70 VAL MG2 . . 4.270 2.199 1.992 2.364 . 0 0 "[ . 1 . 2]" 1
1375 1 70 VAL H 1 71 ILE H . . 5.200 4.250 4.170 4.423 . 0 0 "[ . 1 . 2]" 1
1376 1 70 VAL HA 1 70 VAL MG2 . . 3.340 3.120 3.084 3.198 . 0 0 "[ . 1 . 2]" 1
1377 1 70 VAL HA 1 71 ILE HB . . 4.850 4.704 4.582 4.881 0.031 15 0 "[ . 1 . 2]" 1
1378 1 70 VAL HA 1 71 ILE HG12 . . 5.500 3.893 3.201 5.141 . 0 0 "[ . 1 . 2]" 1
1379 1 70 VAL HA 1 87 PRO HD3 . . 4.920 4.393 3.953 4.840 . 0 0 "[ . 1 . 2]" 1
1380 1 70 VAL HA 1 87 PRO HG3 . . 4.170 3.656 3.174 4.156 . 0 0 "[ . 1 . 2]" 1
1381 1 70 VAL HB 1 71 ILE H . . 3.460 3.038 1.841 3.296 . 0 0 "[ . 1 . 2]" 1
1382 1 70 VAL HB 1 71 ILE HB . . 5.380 5.080 4.667 5.561 0.181 14 0 "[ . 1 . 2]" 1
1383 1 70 VAL MG1 1 71 ILE H . . 4.390 3.286 2.888 3.883 . 0 0 "[ . 1 . 2]" 1
1384 1 70 VAL MG1 1 71 ILE HA . . 5.500 5.365 5.135 5.678 0.178 15 0 "[ . 1 . 2]" 1
1385 1 70 VAL MG1 1 71 ILE HB . . 5.100 5.200 5.027 5.895 0.795 15 1 "[ . 1 + 2]" 1
1386 1 70 VAL MG1 1 87 PRO QB . . 5.500 4.923 4.314 5.107 . 0 0 "[ . 1 . 2]" 1
1387 1 70 VAL MG2 1 71 ILE H . . 4.470 4.141 3.479 4.303 . 0 0 "[ . 1 . 2]" 1
1388 1 70 VAL MG2 1 87 PRO QB . . 4.150 3.230 2.962 3.721 . 0 0 "[ . 1 . 2]" 1
1389 1 71 ILE H 1 71 ILE HB . . 3.510 2.570 2.448 2.939 . 0 0 "[ . 1 . 2]" 1
1390 1 71 ILE H 1 71 ILE MD . . 3.930 3.484 3.113 4.156 0.226 18 0 "[ . 1 . 2]" 1
1391 1 71 ILE H 1 71 ILE HG12 . . 4.030 2.511 1.932 4.051 0.021 18 0 "[ . 1 . 2]" 1
1392 1 71 ILE H 1 71 ILE HG13 . . 4.730 3.418 2.259 4.279 . 0 0 "[ . 1 . 2]" 1
1393 1 71 ILE H 1 71 ILE MG . . 4.390 3.790 3.758 3.974 . 0 0 "[ . 1 . 2]" 1
1394 1 71 ILE H 1 87 PRO HD3 . . 5.500 4.229 3.534 5.112 . 0 0 "[ . 1 . 2]" 1
1395 1 71 ILE H 1 87 PRO HG3 . . 5.500 4.659 4.137 5.511 0.011 12 0 "[ . 1 . 2]" 1
1396 1 71 ILE H 1 117 ASN H . . 5.100 5.098 4.621 5.207 0.107 10 0 "[ . 1 . 2]" 1
1397 1 71 ILE HA 1 71 ILE MD . . 4.150 2.370 1.966 3.897 . 0 0 "[ . 1 . 2]" 1
1398 1 71 ILE HA 1 86 LEU HA . . 4.070 3.650 2.983 4.258 0.188 12 0 "[ . 1 . 2]" 1
1399 1 71 ILE HA 1 87 PRO HD3 . . 4.530 3.053 2.383 3.734 . 0 0 "[ . 1 . 2]" 1
1400 1 71 ILE HB 1 87 PRO HD3 . . 5.500 5.245 4.637 5.592 0.092 12 0 "[ . 1 . 2]" 1
1401 1 71 ILE HB 1 117 ASN H . . 4.950 4.341 3.286 5.047 0.097 14 0 "[ . 1 . 2]" 1
1402 1 71 ILE MD 1 86 LEU H . . 4.350 4.213 3.965 4.412 0.062 9 0 "[ . 1 . 2]" 1
1403 1 71 ILE MD 1 86 LEU HA . . 3.620 2.366 1.966 3.315 . 0 0 "[ . 1 . 2]" 1
1404 1 71 ILE MD 1 87 PRO HD3 . . 4.280 2.527 1.886 4.081 . 0 0 "[ . 1 . 2]" 1
1405 1 71 ILE HG12 1 86 LEU HA . . 4.760 4.215 1.978 4.921 0.161 14 0 "[ . 1 . 2]" 1
1406 1 71 ILE HG12 1 87 PRO HD3 . . 5.490 3.541 1.970 3.988 . 0 0 "[ . 1 . 2]" 1
1407 1 71 ILE HG13 1 87 PRO HD3 . . 5.140 4.474 2.419 5.210 0.070 20 0 "[ . 1 . 2]" 1
1408 1 71 ILE MG 1 84 GLU QG . . 5.070 3.843 2.301 5.101 0.031 18 0 "[ . 1 . 2]" 1
1409 1 71 ILE MG 1 85 VAL H . . 4.930 3.575 2.830 4.124 . 0 0 "[ . 1 . 2]" 1
1410 1 71 ILE MG 1 86 LEU HA . . 3.930 3.754 3.137 3.966 0.036 17 0 "[ . 1 . 2]" 1
1411 1 71 ILE MG 1 87 PRO HD3 . . 5.500 4.316 3.838 4.512 . 0 0 "[ . 1 . 2]" 1
1412 1 71 ILE MG 1 117 ASN QB . . 5.500 4.064 2.586 5.330 . 0 0 "[ . 1 . 2]" 1
1413 1 71 ILE MG 1 117 ASN QD . . 4.900 3.754 2.246 4.841 . 0 0 "[ . 1 . 2]" 1
1414 1 73 GLY HA2 1 109 GLN QE . . 5.330 3.990 3.351 4.736 . 0 0 "[ . 1 . 2]" 1
1415 1 73 GLY HA3 1 84 GLU HA . . 5.500 3.362 3.028 3.807 . 0 0 "[ . 1 . 2]" 1
1416 1 73 GLY HA3 1 85 VAL H . . 4.630 4.671 3.855 4.827 0.197 18 0 "[ . 1 . 2]" 1
1417 1 74 PHE H 1 74 PHE HB2 . . 3.930 3.692 3.578 3.896 . 0 0 "[ . 1 . 2]" 1
1418 1 74 PHE H 1 74 PHE QD . . 4.730 2.995 2.718 3.346 . 0 0 "[ . 1 . 2]" 1
1419 1 74 PHE H 1 83 VAL H . . 4.660 4.595 4.263 4.801 0.141 12 0 "[ . 1 . 2]" 1
1420 1 74 PHE H 1 83 VAL HB . . 5.230 4.031 3.715 4.498 . 0 0 "[ . 1 . 2]" 1
1421 1 74 PHE H 1 83 VAL MG2 . . 4.640 2.039 1.860 2.545 . 0 0 "[ . 1 . 2]" 1
1422 1 74 PHE H 1 109 GLN QE . . 5.500 3.056 2.086 4.300 . 0 0 "[ . 1 . 2]" 1
1423 1 74 PHE H 1 122 ILE MD . . 4.880 4.799 4.420 5.045 0.165 8 0 "[ . 1 . 2]" 1
1424 1 74 PHE HA 1 74 PHE QE . . 5.500 5.595 5.552 5.621 0.121 14 0 "[ . 1 . 2]" 1
1425 1 74 PHE HA 1 75 HIS QB . . 4.460 4.052 3.926 4.343 . 0 0 "[ . 1 . 2]" 1
1426 1 74 PHE HA 1 83 VAL MG2 . . 4.380 4.209 3.962 4.460 0.080 18 0 "[ . 1 . 2]" 1
1427 1 74 PHE HA 1 106 ILE HB . . 4.100 3.936 2.799 4.195 0.095 19 0 "[ . 1 . 2]" 1
1428 1 74 PHE HA 1 106 ILE QG . . 5.500 3.928 3.247 4.895 . 0 0 "[ . 1 . 2]" 1
1429 1 74 PHE HA 1 106 ILE MG . . 5.500 5.239 4.122 5.509 0.009 6 0 "[ . 1 . 2]" 1
1430 1 74 PHE HA 1 109 GLN QE . . 5.120 2.643 2.292 3.090 . 0 0 "[ . 1 . 2]" 1
1431 1 74 PHE HB2 1 83 VAL MG2 . . 4.580 4.356 4.177 4.477 . 0 0 "[ . 1 . 2]" 1
1432 1 74 PHE HB2 1 109 GLN QE . . 4.800 4.497 4.110 4.696 . 0 0 "[ . 1 . 2]" 1
1433 1 74 PHE HB2 1 122 ILE MD . . 5.500 2.209 1.900 2.710 . 0 0 "[ . 1 . 2]" 1
1434 1 74 PHE HB3 1 83 VAL MG2 . . 4.880 4.590 4.271 4.808 . 0 0 "[ . 1 . 2]" 1
1435 1 74 PHE HB3 1 109 GLN QE . . 5.150 4.591 4.291 4.832 . 0 0 "[ . 1 . 2]" 1
1436 1 74 PHE HB3 1 122 ILE MD . . 5.500 2.666 2.286 3.146 . 0 0 "[ . 1 . 2]" 1
1437 1 74 PHE QD 1 75 HIS HA . . 5.230 3.903 3.454 4.346 . 0 0 "[ . 1 . 2]" 1
1438 1 74 PHE QD 1 75 HIS QB . . 5.500 5.243 4.891 5.523 0.023 20 0 "[ . 1 . 2]" 1
1439 1 74 PHE QD 1 76 VAL HB . . 5.320 4.801 4.177 5.422 0.102 18 0 "[ . 1 . 2]" 1
1440 1 74 PHE QD 1 76 VAL QG . . 4.470 3.059 2.164 4.062 . 0 0 "[ . 1 . 2]" 1
1441 1 74 PHE QD 1 81 ILE MD . . 4.740 3.451 2.293 4.748 0.008 14 0 "[ . 1 . 2]" 1
1442 1 74 PHE QD 1 81 ILE HG12 . . 3.980 3.925 3.487 4.038 0.058 12 0 "[ . 1 . 2]" 1
1443 1 74 PHE QD 1 81 ILE HG13 . . 5.500 5.157 3.991 5.654 0.154 14 0 "[ . 1 . 2]" 1
1444 1 74 PHE QD 1 81 ILE MG . . 3.720 3.661 3.169 3.823 0.103 18 0 "[ . 1 . 2]" 1
1445 1 74 PHE QD 1 83 VAL H . . 5.430 5.383 5.080 5.540 0.110 14 0 "[ . 1 . 2]" 1
1446 1 74 PHE QD 1 83 VAL HB . . 5.140 5.035 4.572 5.201 0.061 13 0 "[ . 1 . 2]" 1
1447 1 74 PHE QD 1 83 VAL MG1 . . 4.920 4.196 3.680 4.449 . 0 0 "[ . 1 . 2]" 1
1448 1 74 PHE QD 1 83 VAL MG2 . . 3.800 2.694 2.430 2.828 . 0 0 "[ . 1 . 2]" 1
1449 1 74 PHE QD 1 93 VAL QG . . 5.060 4.472 3.792 4.936 . 0 0 "[ . 1 . 2]" 1
1450 1 74 PHE QD 1 122 ILE MD . . 3.880 2.775 2.436 3.000 . 0 0 "[ . 1 . 2]" 1
1451 1 74 PHE QE 1 81 ILE MD . . 4.800 2.756 1.873 3.724 . 0 0 "[ . 1 . 2]" 1
1452 1 74 PHE QE 1 83 VAL MG1 . . 4.810 2.997 2.208 3.362 . 0 0 "[ . 1 . 2]" 1
1453 1 74 PHE QE 1 93 VAL QG . . 4.490 2.860 2.205 3.359 . 0 0 "[ . 1 . 2]" 1
1454 1 74 PHE QE 1 122 ILE MD . . 4.920 3.774 3.485 3.874 . 0 0 "[ . 1 . 2]" 1
1455 1 74 PHE HZ 1 93 VAL QG . . 4.990 2.937 2.537 3.409 . 0 0 "[ . 1 . 2]" 1
1456 1 74 PHE HZ 1 122 ILE MD . . 4.690 4.741 4.435 4.824 0.134 7 0 "[ . 1 . 2]" 1
1457 1 75 HIS H 1 75 HIS HD2 . . 5.500 4.422 1.942 5.501 0.001 20 0 "[ . 1 . 2]" 1
1458 1 75 HIS HA 1 76 VAL HA . . 5.500 4.433 4.402 4.495 . 0 0 "[ . 1 . 2]" 1
1459 1 75 HIS HA 1 76 VAL HB . . 5.500 4.687 4.525 4.853 . 0 0 "[ . 1 . 2]" 1
1460 1 75 HIS HA 1 76 VAL QG . . 5.270 3.587 3.301 3.833 . 0 0 "[ . 1 . 2]" 1
1461 1 75 HIS HA 1 81 ILE HB . . 5.500 5.335 4.835 5.639 0.139 13 0 "[ . 1 . 2]" 1
1462 1 75 HIS HA 1 81 ILE HG12 . . 5.500 4.262 3.470 5.103 . 0 0 "[ . 1 . 2]" 1
1463 1 75 HIS HA 1 81 ILE MG . . 4.800 2.449 2.050 2.794 . 0 0 "[ . 1 . 2]" 1
1464 1 75 HIS HA 1 83 VAL MG2 . . 4.400 3.886 3.637 4.356 . 0 0 "[ . 1 . 2]" 1
1465 1 75 HIS HA 1 109 GLN QE . . 4.490 3.337 2.597 4.007 . 0 0 "[ . 1 . 2]" 1
1466 1 75 HIS QB 1 76 VAL H . . 4.570 3.594 2.924 4.028 . 0 0 "[ . 1 . 2]" 1
1467 1 75 HIS QB 1 76 VAL QG . . 5.500 4.559 4.213 4.853 . 0 0 "[ . 1 . 2]" 1
1468 1 75 HIS QB 1 81 ILE MG . . 5.360 3.789 3.185 4.268 . 0 0 "[ . 1 . 2]" 1
1469 1 75 HIS QB 1 106 ILE QG . . 4.920 3.513 2.071 4.783 . 0 0 "[ . 1 . 2]" 1
1470 1 75 HIS QB 1 109 GLN QE . . 3.650 2.521 1.934 3.454 . 0 0 "[ . 1 . 2]" 1
1471 1 75 HIS QB 1 109 GLN HG2 . . 5.160 3.838 1.913 5.202 0.042 4 0 "[ . 1 . 2]" 1
1472 1 76 VAL H 1 77 GLU H . . 5.500 4.448 4.259 4.614 . 0 0 "[ . 1 . 2]" 1
1473 1 76 VAL H 1 81 ILE H . . 5.080 4.387 3.717 5.019 . 0 0 "[ . 1 . 2]" 1
1474 1 76 VAL H 1 81 ILE HB . . 4.330 4.295 3.668 4.489 0.159 18 0 "[ . 1 . 2]" 1
1475 1 76 VAL H 1 81 ILE MD . . 5.420 4.159 3.102 5.433 0.013 20 0 "[ . 1 . 2]" 1
1476 1 76 VAL H 1 81 ILE MG . . 4.860 1.873 1.754 1.961 . 0 0 "[ . 1 . 2]" 1
1477 1 76 VAL HA 1 77 GLU H . . 3.330 2.207 2.142 2.256 . 0 0 "[ . 1 . 2]" 1
1478 1 76 VAL HA 1 77 GLU QB . . 4.980 4.472 4.331 4.637 . 0 0 "[ . 1 . 2]" 1
1479 1 76 VAL HA 1 103 TYR QD . . 5.500 3.316 2.562 4.207 . 0 0 "[ . 1 . 2]" 1
1480 1 76 VAL HB 1 77 GLU H . . 5.500 3.973 3.760 4.215 . 0 0 "[ . 1 . 2]" 1
1481 1 76 VAL HB 1 81 ILE MD . . 4.410 3.830 2.597 4.561 0.151 5 0 "[ . 1 . 2]" 1
1482 1 76 VAL HB 1 103 TYR QD . . 5.500 4.454 2.609 5.574 0.074 18 0 "[ . 1 . 2]" 1
1483 1 76 VAL QG 1 77 GLU H . . 4.230 2.261 1.982 2.764 . 0 0 "[ . 1 . 2]" 1
1484 1 76 VAL QG 1 77 GLU HA . . 5.060 3.925 3.687 4.357 . 0 0 "[ . 1 . 2]" 1
1485 1 76 VAL QG 1 77 GLU QG . . 4.180 3.270 2.448 4.071 . 0 0 "[ . 1 . 2]" 1
1486 1 76 VAL QG 1 79 THR H . . 4.830 3.744 2.967 4.334 . 0 0 "[ . 1 . 2]" 1
1487 1 76 VAL QG 1 81 ILE H . . 5.500 4.422 2.690 5.075 . 0 0 "[ . 1 . 2]" 1
1488 1 76 VAL QG 1 81 ILE HB . . 4.770 3.546 1.970 4.493 . 0 0 "[ . 1 . 2]" 1
1489 1 76 VAL QG 1 81 ILE MD . . 4.320 2.786 1.943 4.098 . 0 0 "[ . 1 . 2]" 1
1490 1 76 VAL QG 1 81 ILE MG . . 4.460 2.192 1.753 2.665 . 0 0 "[ . 1 . 2]" 1
1491 1 76 VAL QG 1 95 TYR QD . . 5.500 3.363 2.984 4.659 . 0 0 "[ . 1 . 2]" 1
1492 1 76 VAL QG 1 95 TYR QE . . 5.270 2.651 2.316 4.124 . 0 0 "[ . 1 . 2]" 1
1493 1 76 VAL QG 1 97 PHE HB2 . . 4.940 4.794 4.563 5.455 0.515 18 1 "[ . 1 . + 2]" 1
1494 1 76 VAL QG 1 97 PHE QD . . 3.580 3.193 2.972 3.563 . 0 0 "[ . 1 . 2]" 1
1495 1 76 VAL QG 1 103 TYR QB . . 4.200 3.558 2.630 4.040 . 0 0 "[ . 1 . 2]" 1
1496 1 76 VAL QG 1 103 TYR QD . . 3.740 2.767 1.910 3.168 . 0 0 "[ . 1 . 2]" 1
1497 1 76 VAL QG 1 103 TYR QE . . 3.980 2.199 1.839 2.712 . 0 0 "[ . 1 . 2]" 1
1498 1 77 GLU H 1 77 GLU QB . . 3.910 2.550 2.267 2.697 . 0 0 "[ . 1 . 2]" 1
1499 1 77 GLU H 1 77 GLU QG . . 3.970 2.237 1.991 2.658 . 0 0 "[ . 1 . 2]" 1
1500 1 77 GLU H 1 81 ILE MG . . 5.500 4.763 4.293 5.327 . 0 0 "[ . 1 . 2]" 1
1501 1 77 GLU HA 1 77 GLU QG . . 3.910 2.918 2.272 3.401 . 0 0 "[ . 1 . 2]" 1
1502 1 77 GLU HA 1 78 GLY H . . 3.420 2.595 2.378 2.690 . 0 0 "[ . 1 . 2]" 1
1503 1 77 GLU HA 1 79 THR H . . 4.030 3.700 3.536 3.867 . 0 0 "[ . 1 . 2]" 1
1504 1 77 GLU QB 1 78 GLY H . . 3.820 2.040 1.923 2.465 . 0 0 "[ . 1 . 2]" 1
1505 1 77 GLU QB 1 78 GLY HA2 . . 4.720 3.854 3.742 4.067 . 0 0 "[ . 1 . 2]" 1
1506 1 77 GLU QB 1 78 GLY HA3 . . 3.770 3.995 3.836 4.143 0.373 10 0 "[ . 1 . 2]" 1
1507 1 77 GLU QG 1 78 GLY H . . 5.160 3.624 3.295 4.138 . 0 0 "[ . 1 . 2]" 1
1508 1 77 GLU QG 1 79 THR H . . 5.500 5.154 4.642 5.583 0.083 4 0 "[ . 1 . 2]" 1
1509 1 78 GLY H 1 79 THR H . . 3.590 3.390 3.246 3.465 . 0 0 "[ . 1 . 2]" 1
1510 1 78 GLY H 1 79 THR HA . . 5.500 5.067 4.865 5.361 . 0 0 "[ . 1 . 2]" 1
1511 1 79 THR H 1 80 ASN H . . 5.110 4.437 4.388 4.574 . 0 0 "[ . 1 . 2]" 1
1512 1 79 THR H 1 81 ILE H . . 4.870 4.209 3.864 4.614 . 0 0 "[ . 1 . 2]" 1
1513 1 79 THR H 1 95 TYR QE . . 5.500 4.004 3.306 4.608 . 0 0 "[ . 1 . 2]" 1
1514 1 79 THR HA 1 95 TYR QE . . 4.680 4.667 4.465 4.782 0.102 7 0 "[ . 1 . 2]" 1
1515 1 79 THR HB 1 80 ASN H . . 4.600 3.183 2.583 3.755 . 0 0 "[ . 1 . 2]" 1
1516 1 79 THR HB 1 81 ILE H . . 4.450 3.388 2.365 3.901 . 0 0 "[ . 1 . 2]" 1
1517 1 79 THR HB 1 81 ILE HB . . 4.210 3.554 2.927 3.914 . 0 0 "[ . 1 . 2]" 1
1518 1 79 THR HB 1 81 ILE MD . . 5.200 4.815 4.363 5.200 . 0 0 "[ . 1 . 2]" 1
1519 1 79 THR HB 1 95 TYR QE . . 4.540 2.102 1.973 3.221 . 0 0 "[ . 1 . 2]" 1
1520 1 80 ASN H 1 81 ILE H . . 5.370 3.562 2.906 3.858 . 0 0 "[ . 1 . 2]" 1
1521 1 80 ASN H 1 81 ILE HA . . 5.440 4.898 4.554 5.120 . 0 0 "[ . 1 . 2]" 1
1522 1 80 ASN H 1 95 TYR QE . . 5.500 4.884 4.162 5.520 0.020 7 0 "[ . 1 . 2]" 1
1523 1 80 ASN HA 1 80 ASN HD22 . . 5.180 3.915 3.511 5.172 . 0 0 "[ . 1 . 2]" 1
1524 1 80 ASN HA 1 81 ILE HB . . 5.500 5.141 4.906 5.373 . 0 0 "[ . 1 . 2]" 1
1525 1 80 ASN HA 1 81 ILE MG . . 5.000 3.847 3.722 4.064 . 0 0 "[ . 1 . 2]" 1
1526 1 80 ASN HA 1 82 ASN QD . . 5.500 4.711 3.829 5.279 . 0 0 "[ . 1 . 2]" 1
1527 1 80 ASN HB2 1 81 ILE H . . 5.270 4.434 4.206 4.659 . 0 0 "[ . 1 . 2]" 1
1528 1 80 ASN HB3 1 81 ILE H . . 5.350 4.369 4.218 4.643 . 0 0 "[ . 1 . 2]" 1
1529 1 80 ASN HB3 1 82 ASN QD . . 5.500 3.760 2.984 4.753 . 0 0 "[ . 1 . 2]" 1
1530 1 80 ASN HD21 1 81 ILE H . . 5.370 4.987 4.486 5.371 0.001 2 0 "[ . 1 . 2]" 1
1531 1 81 ILE H 1 81 ILE HB . . 3.650 2.639 2.420 2.828 . 0 0 "[ . 1 . 2]" 1
1532 1 81 ILE H 1 81 ILE MD . . 4.440 4.326 4.103 4.469 0.029 7 0 "[ . 1 . 2]" 1
1533 1 81 ILE H 1 81 ILE HG12 . . 5.220 4.524 4.392 4.683 . 0 0 "[ . 1 . 2]" 1
1534 1 81 ILE H 1 81 ILE HG13 . . 4.560 4.435 4.338 4.536 . 0 0 "[ . 1 . 2]" 1
1535 1 81 ILE H 1 81 ILE MG . . 4.640 2.044 1.916 2.247 . 0 0 "[ . 1 . 2]" 1
1536 1 81 ILE H 1 82 ASN H . . 5.040 4.451 4.266 4.585 . 0 0 "[ . 1 . 2]" 1
1537 1 81 ILE H 1 95 TYR QE . . 5.500 4.273 3.175 5.219 . 0 0 "[ . 1 . 2]" 1
1538 1 81 ILE HA 1 81 ILE MD . . 4.610 3.275 1.968 3.758 . 0 0 "[ . 1 . 2]" 1
1539 1 81 ILE HA 1 82 ASN H . . 3.370 2.150 2.140 2.191 . 0 0 "[ . 1 . 2]" 1
1540 1 81 ILE HA 1 82 ASN HB2 . . 5.500 5.183 4.143 5.647 0.147 5 0 "[ . 1 . 2]" 1
1541 1 81 ILE HA 1 82 ASN HB3 . . 5.320 5.156 4.902 5.496 0.176 12 0 "[ . 1 . 2]" 1
1542 1 81 ILE HA 1 82 ASN QD . . 5.500 4.085 3.369 4.837 . 0 0 "[ . 1 . 2]" 1
1543 1 81 ILE HA 1 83 VAL MG1 . . 4.810 4.500 4.352 4.661 . 0 0 "[ . 1 . 2]" 1
1544 1 81 ILE HB 1 82 ASN H . . 5.230 4.297 4.206 4.438 . 0 0 "[ . 1 . 2]" 1
1545 1 81 ILE MD 1 81 ILE MG . . 3.950 2.517 2.108 3.255 . 0 0 "[ . 1 . 2]" 1
1546 1 81 ILE MD 1 82 ASN H . . 5.500 4.056 2.275 4.826 . 0 0 "[ . 1 . 2]" 1
1547 1 81 ILE MD 1 83 VAL MG1 . . 4.460 2.562 2.002 3.155 . 0 0 "[ . 1 . 2]" 1
1548 1 81 ILE MD 1 93 VAL HB . . 5.410 4.420 3.863 5.054 . 0 0 "[ . 1 . 2]" 1
1549 1 81 ILE MD 1 93 VAL QG . . 5.410 2.279 1.843 2.729 . 0 0 "[ . 1 . 2]" 1
1550 1 81 ILE MD 1 95 TYR H . . 5.500 4.837 4.313 5.341 . 0 0 "[ . 1 . 2]" 1
1551 1 81 ILE MD 1 95 TYR HA . . 5.100 4.483 3.881 4.890 . 0 0 "[ . 1 . 2]" 1
1552 1 81 ILE MD 1 95 TYR QB . . 4.420 2.324 1.930 2.720 . 0 0 "[ . 1 . 2]" 1
1553 1 81 ILE MD 1 95 TYR QD . . 4.840 2.605 1.923 3.218 . 0 0 "[ . 1 . 2]" 1
1554 1 81 ILE MD 1 95 TYR QE . . 4.950 3.671 3.195 4.111 . 0 0 "[ . 1 . 2]" 1
1555 1 81 ILE HG12 1 82 ASN H . . 4.250 3.824 3.137 5.036 0.786 13 2 "[ - 1 + . 2]" 1
1556 1 81 ILE HG13 1 82 ASN H . . 5.500 2.998 2.213 3.578 . 0 0 "[ . 1 . 2]" 1
1557 1 81 ILE HG13 1 83 VAL MG2 . . 3.610 3.350 2.424 3.658 0.048 15 0 "[ . 1 . 2]" 1
1558 1 81 ILE HG13 1 95 TYR QB . . 4.260 4.216 2.751 5.028 0.768 11 4 "[ * 1+ - . *]" 1
1559 1 81 ILE HG13 1 95 TYR QD . . 4.470 4.231 3.265 5.312 0.842 20 1 "[ . 1 . +]" 1
1560 1 81 ILE HG13 1 95 TYR QE . . 5.500 5.199 4.346 6.004 0.504 20 1 "[ . 1 . +]" 1
1561 1 81 ILE MG 1 82 ASN H . . 4.730 4.074 3.756 4.191 . 0 0 "[ . 1 . 2]" 1
1562 1 81 ILE MG 1 82 ASN HA . . 4.730 4.064 3.763 4.197 . 0 0 "[ . 1 . 2]" 1
1563 1 81 ILE MG 1 82 ASN HB3 . . 5.350 5.643 5.368 6.233 0.883 13 6 "[* * . 1 -+ * * 2]" 1
1564 1 81 ILE MG 1 95 TYR QB . . 5.410 4.750 4.404 4.967 . 0 0 "[ . 1 . 2]" 1
1565 1 81 ILE MG 1 95 TYR QD . . 5.290 4.317 3.683 4.923 . 0 0 "[ . 1 . 2]" 1
1566 1 82 ASN H 1 83 VAL H . . 5.120 3.983 3.672 4.329 . 0 0 "[ . 1 . 2]" 1
1567 1 82 ASN H 1 83 VAL MG2 . . 4.420 4.485 4.406 4.677 0.257 18 0 "[ . 1 . 2]" 1
1568 1 82 ASN HA 1 83 VAL H . . 3.200 2.214 2.142 2.324 . 0 0 "[ . 1 . 2]" 1
1569 1 82 ASN HA 1 83 VAL MG2 . . 4.150 3.672 3.437 3.880 . 0 0 "[ . 1 . 2]" 1
1570 1 82 ASN HB2 1 83 VAL H . . 4.980 4.150 3.483 4.665 . 0 0 "[ . 1 . 2]" 1
1571 1 82 ASN HB2 1 83 VAL MG2 . . 5.460 5.418 5.021 5.775 0.315 12 0 "[ . 1 . 2]" 1
1572 1 82 ASN HB3 1 83 VAL H . . 4.960 4.224 3.881 4.477 . 0 0 "[ . 1 . 2]" 1
1573 1 83 VAL H 1 83 VAL MG2 . . 3.850 1.992 1.880 2.247 . 0 0 "[ . 1 . 2]" 1
1574 1 83 VAL H 1 84 GLU H . . 4.280 4.278 4.117 4.329 0.049 12 0 "[ . 1 . 2]" 1
1575 1 83 VAL HA 1 83 VAL MG2 . . 3.580 3.183 3.165 3.197 . 0 0 "[ . 1 . 2]" 1
1576 1 83 VAL HA 1 84 GLU H . . 3.110 2.142 2.141 2.145 . 0 0 "[ . 1 . 2]" 1
1577 1 83 VAL HB 1 84 GLU H . . 3.610 3.440 3.359 3.479 . 0 0 "[ . 1 . 2]" 1
1578 1 83 VAL MG1 1 84 GLU H . . 5.500 3.839 3.767 3.998 . 0 0 "[ . 1 . 2]" 1
1579 1 83 VAL MG2 1 84 GLU H . . 4.190 4.191 4.125 4.247 0.057 18 0 "[ . 1 . 2]" 1
1580 1 83 VAL MG2 1 84 GLU HA . . 4.730 4.245 4.099 4.389 . 0 0 "[ . 1 . 2]" 1
1581 1 83 VAL MG2 1 85 VAL H . . 5.500 5.511 4.647 5.599 0.099 16 0 "[ . 1 . 2]" 1
1582 1 83 VAL MG2 1 109 GLN QE . . 5.500 3.228 2.652 4.202 . 0 0 "[ . 1 . 2]" 1
1583 1 84 GLU H 1 84 GLU QB . . 3.650 2.982 2.494 3.357 . 0 0 "[ . 1 . 2]" 1
1584 1 84 GLU H 1 84 GLU QG . . 4.060 3.287 2.241 4.089 0.029 14 0 "[ . 1 . 2]" 1
1585 1 84 GLU H 1 85 VAL H . . 4.760 3.912 3.662 4.171 . 0 0 "[ . 1 . 2]" 1
1586 1 84 GLU H 1 85 VAL HA . . 5.500 4.748 4.638 4.874 . 0 0 "[ . 1 . 2]" 1
1587 1 84 GLU HA 1 85 VAL H . . 3.500 2.148 2.139 2.210 . 0 0 "[ . 1 . 2]" 1
1588 1 84 GLU HA 1 85 VAL HA . . 4.830 4.390 4.375 4.450 . 0 0 "[ . 1 . 2]" 1
1589 1 84 GLU HA 1 85 VAL QG . . 4.670 3.686 3.357 3.879 . 0 0 "[ . 1 . 2]" 1
1590 1 84 GLU QG 1 85 VAL H . . 5.210 3.811 2.767 4.912 . 0 0 "[ . 1 . 2]" 1
1591 1 85 VAL H 1 85 VAL HB . . 4.040 3.126 2.791 3.911 . 0 0 "[ . 1 . 2]" 1
1592 1 85 VAL H 1 85 VAL QG . . 4.180 2.570 1.901 2.974 . 0 0 "[ . 1 . 2]" 1
1593 1 85 VAL H 1 86 LEU H . . 5.500 4.365 4.228 4.582 . 0 0 "[ . 1 . 2]" 1
1594 1 85 VAL HA 1 86 LEU H . . 3.500 2.228 2.153 2.255 . 0 0 "[ . 1 . 2]" 1
1595 1 85 VAL HA 1 86 LEU HA . . 4.380 4.331 4.312 4.388 0.008 2 0 "[ . 1 . 2]" 1
1596 1 86 LEU H 1 87 PRO HD3 . . 5.500 5.069 5.017 5.110 . 0 0 "[ . 1 . 2]" 1
1597 1 86 LEU HA 1 87 PRO HD3 . . 3.890 2.341 2.312 2.378 . 0 0 "[ . 1 . 2]" 1
1598 1 86 LEU HA 1 87 PRO HG3 . . 5.080 4.531 4.490 4.579 . 0 0 "[ . 1 . 2]" 1
1599 1 87 PRO HA 1 88 GLY HA2 . . 5.500 4.544 4.467 4.574 . 0 0 "[ . 1 . 2]" 1
1600 1 87 PRO HA 1 89 GLU H . . 4.510 3.224 3.147 3.285 . 0 0 "[ . 1 . 2]" 1
1601 1 87 PRO QB 1 88 GLY H . . 4.530 2.775 2.712 2.997 . 0 0 "[ . 1 . 2]" 1
1602 1 88 GLY H 1 89 GLU H . . 3.810 2.343 2.215 2.482 . 0 0 "[ . 1 . 2]" 1
1603 1 88 GLY HA2 1 89 GLU HA . . 5.500 4.422 4.398 4.451 . 0 0 "[ . 1 . 2]" 1
1604 1 88 GLY HA2 1 89 GLU HG2 . . 4.630 4.626 4.433 4.670 0.040 14 0 "[ . 1 . 2]" 1
1605 1 88 GLY HA3 1 89 GLU HG2 . . 5.330 3.750 3.566 3.907 . 0 0 "[ . 1 . 2]" 1
1606 1 88 GLY HA3 1 89 GLU HG3 . . 4.990 4.334 3.492 5.018 0.028 5 0 "[ . 1 . 2]" 1
1607 1 89 GLU H 1 89 GLU QB . . 3.720 3.131 2.841 3.378 . 0 0 "[ . 1 . 2]" 1
1608 1 89 GLU H 1 89 GLU HG3 . . 3.600 2.931 2.682 3.194 . 0 0 "[ . 1 . 2]" 1
1609 1 89 GLU H 1 90 VAL H . . 4.950 4.216 3.934 4.402 . 0 0 "[ . 1 . 2]" 1
1610 1 89 GLU HA 1 89 GLU HG2 . . 3.880 3.144 2.580 3.703 . 0 0 "[ . 1 . 2]" 1
1611 1 89 GLU HA 1 89 GLU HG3 . . 3.860 3.621 3.437 3.759 . 0 0 "[ . 1 . 2]" 1
1612 1 89 GLU HA 1 90 VAL H . . 3.250 2.248 2.138 2.515 . 0 0 "[ . 1 . 2]" 1
1613 1 89 GLU HA 1 90 VAL HA . . 5.370 4.380 4.341 4.463 . 0 0 "[ . 1 . 2]" 1
1614 1 89 GLU HA 1 90 VAL QG . . 4.270 3.455 3.081 3.673 . 0 0 "[ . 1 . 2]" 1
1615 1 89 GLU QB 1 90 VAL H . . 3.660 2.908 2.251 3.352 . 0 0 "[ . 1 . 2]" 1
1616 1 90 VAL H 1 90 VAL HB . . 3.090 2.712 2.503 3.136 0.046 20 0 "[ . 1 . 2]" 1
1617 1 90 VAL H 1 90 VAL QG . . 3.840 2.161 1.885 2.587 . 0 0 "[ . 1 . 2]" 1
1618 1 90 VAL H 1 91 SER H . . 4.840 4.444 4.209 4.614 . 0 0 "[ . 1 . 2]" 1
1619 1 90 VAL HA 1 91 SER H . . 3.370 2.175 2.140 2.244 . 0 0 "[ . 1 . 2]" 1
1620 1 90 VAL HA 1 91 SER HA . . 5.500 4.393 4.356 4.420 . 0 0 "[ . 1 . 2]" 1
1621 1 90 VAL HB 1 91 SER H . . 4.700 4.127 3.794 4.399 . 0 0 "[ . 1 . 2]" 1
1622 1 90 VAL QG 1 91 SER H . . 4.000 2.561 1.990 3.043 . 0 0 "[ . 1 . 2]" 1
1623 1 90 VAL QG 1 91 SER HA . . 5.500 3.723 3.450 4.063 . 0 0 "[ . 1 . 2]" 1
1624 1 91 SER H 1 92 THR H . . 4.990 4.457 3.955 4.595 . 0 0 "[ . 1 . 2]" 1
1625 1 91 SER HA 1 92 THR H . . 2.870 2.312 2.138 2.559 . 0 0 "[ . 1 . 2]" 1
1626 1 91 SER HA 1 92 THR HA . . 5.000 4.448 4.373 4.528 . 0 0 "[ . 1 . 2]" 1
1627 1 91 SER HA 1 92 THR HB . . 4.490 4.494 4.092 4.586 0.096 12 0 "[ . 1 . 2]" 1
1628 1 91 SER QB 1 92 THR H . . 4.170 3.136 2.398 3.795 . 0 0 "[ . 1 . 2]" 1
1629 1 91 SER QB 1 92 THR HA . . 5.500 4.229 3.879 4.756 . 0 0 "[ . 1 . 2]" 1
1630 1 91 SER QB 1 93 VAL QG . . 4.580 3.677 2.844 4.355 . 0 0 "[ . 1 . 2]" 1
1631 1 92 THR H 1 92 THR HB . . 3.520 2.684 2.421 3.080 . 0 0 "[ . 1 . 2]" 1
1632 1 92 THR H 1 92 THR MG . . 4.290 3.585 2.355 3.976 . 0 0 "[ . 1 . 2]" 1
1633 1 92 THR H 1 93 VAL QG . . 5.500 4.328 3.413 5.170 . 0 0 "[ . 1 . 2]" 1
1634 1 92 THR HA 1 92 THR MG . . 3.520 2.511 2.244 3.171 . 0 0 "[ . 1 . 2]" 1
1635 1 92 THR HA 1 93 VAL H . . 3.190 2.174 2.143 2.244 . 0 0 "[ . 1 . 2]" 1
1636 1 92 THR HA 1 93 VAL HA . . 4.450 4.413 4.383 4.455 0.005 5 0 "[ . 1 . 2]" 1
1637 1 92 THR HA 1 93 VAL HB . . 4.630 4.628 4.424 4.782 0.152 20 0 "[ . 1 . 2]" 1
1638 1 92 THR HA 1 93 VAL QG . . 5.090 3.666 3.236 4.063 . 0 0 "[ . 1 . 2]" 1
1639 1 92 THR HB 1 93 VAL H . . 4.550 4.287 4.034 4.430 . 0 0 "[ . 1 . 2]" 1
1640 1 92 THR MG 1 93 VAL H . . 3.660 2.877 2.267 3.414 . 0 0 "[ . 1 . 2]" 1
1641 1 92 THR MG 1 94 ARG QD . . 4.700 3.739 2.144 4.758 0.058 5 0 "[ . 1 . 2]" 1
1642 1 93 VAL H 1 93 VAL HB . . 3.770 2.957 2.580 3.398 . 0 0 "[ . 1 . 2]" 1
1643 1 93 VAL H 1 94 ARG H . . 5.390 4.350 4.114 4.558 . 0 0 "[ . 1 . 2]" 1
1644 1 93 VAL HA 1 94 ARG H . . 3.090 2.202 2.141 2.311 . 0 0 "[ . 1 . 2]" 1
1645 1 93 VAL HA 1 94 ARG HA . . 4.740 4.389 4.369 4.417 . 0 0 "[ . 1 . 2]" 1
1646 1 93 VAL HA 1 94 ARG QB . . 5.120 4.457 4.136 4.643 . 0 0 "[ . 1 . 2]" 1
1647 1 93 VAL HA 1 94 ARG QD . . 5.500 5.182 2.946 5.510 0.010 16 0 "[ . 1 . 2]" 1
1648 1 93 VAL HA 1 94 ARG QG . . 5.500 3.698 3.136 4.983 . 0 0 "[ . 1 . 2]" 1
1649 1 93 VAL HB 1 94 ARG H . . 4.470 4.071 3.803 4.294 . 0 0 "[ . 1 . 2]" 1
1650 1 93 VAL QG 1 94 ARG H . . 3.920 2.313 1.979 2.826 . 0 0 "[ . 1 . 2]" 1
1651 1 93 VAL QG 1 94 ARG HA . . 4.670 3.633 3.392 3.923 . 0 0 "[ . 1 . 2]" 1
1652 1 93 VAL QG 1 95 TYR H . . 5.500 3.473 2.915 4.170 . 0 0 "[ . 1 . 2]" 1
1653 1 93 VAL QG 1 95 TYR HA . . 5.250 4.325 3.657 4.740 . 0 0 "[ . 1 . 2]" 1
1654 1 93 VAL QG 1 95 TYR QB . . 4.720 2.631 2.254 3.100 . 0 0 "[ . 1 . 2]" 1
1655 1 93 VAL QG 1 95 TYR QD . . 5.500 4.014 3.600 4.464 . 0 0 "[ . 1 . 2]" 1
1656 1 94 ARG H 1 94 ARG QD . . 4.540 4.198 2.583 4.533 . 0 0 "[ . 1 . 2]" 1
1657 1 94 ARG H 1 94 ARG QG . . 4.490 2.720 1.870 3.932 . 0 0 "[ . 1 . 2]" 1
1658 1 94 ARG H 1 95 TYR H . . 4.700 4.081 3.593 4.471 . 0 0 "[ . 1 . 2]" 1
1659 1 94 ARG H 1 95 TYR QB . . 5.140 4.358 4.115 4.737 . 0 0 "[ . 1 . 2]" 1
1660 1 94 ARG HA 1 94 ARG QD . . 4.420 3.107 2.624 4.133 . 0 0 "[ . 1 . 2]" 1
1661 1 94 ARG HA 1 95 TYR H . . 3.040 2.213 2.140 2.432 . 0 0 "[ . 1 . 2]" 1
1662 1 94 ARG HA 1 95 TYR QB . . 5.090 4.235 3.993 4.468 . 0 0 "[ . 1 . 2]" 1
1663 1 94 ARG QB 1 95 TYR H . . 4.120 3.586 2.969 3.878 . 0 0 "[ . 1 . 2]" 1
1664 1 94 ARG QD 1 95 TYR H . . 5.500 4.882 4.312 5.369 . 0 0 "[ . 1 . 2]" 1
1665 1 94 ARG QG 1 95 TYR H . . 4.770 4.495 4.093 4.568 . 0 0 "[ . 1 . 2]" 1
1666 1 95 TYR H 1 96 THR H . . 4.530 4.104 3.485 4.496 . 0 0 "[ . 1 . 2]" 1
1667 1 95 TYR HA 1 95 TYR QD . . 3.970 2.948 2.099 3.157 . 0 0 "[ . 1 . 2]" 1
1668 1 95 TYR HA 1 95 TYR QE . . 4.590 4.649 4.436 4.736 0.146 14 0 "[ . 1 . 2]" 1
1669 1 95 TYR HA 1 96 THR H . . 2.850 2.155 2.137 2.216 . 0 0 "[ . 1 . 2]" 1
1670 1 95 TYR HA 1 96 THR HB . . 4.710 4.537 4.357 4.717 0.007 15 0 "[ . 1 . 2]" 1
1671 1 95 TYR QB 1 96 THR H . . 4.440 3.805 3.547 4.002 . 0 0 "[ . 1 . 2]" 1
1672 1 95 TYR QD 1 96 THR H . . 4.340 3.464 2.339 4.218 . 0 0 "[ . 1 . 2]" 1
1673 1 95 TYR QD 1 96 THR HA . . 4.850 3.707 3.029 4.410 . 0 0 "[ . 1 . 2]" 1
1674 1 95 TYR QD 1 97 PHE H . . 5.500 4.423 3.895 5.150 . 0 0 "[ . 1 . 2]" 1
1675 1 95 TYR QD 1 97 PHE HA . . 4.750 4.693 4.115 4.874 0.124 7 0 "[ . 1 . 2]" 1
1676 1 95 TYR QE 1 97 PHE H . . 5.500 4.750 4.209 5.294 . 0 0 "[ . 1 . 2]" 1
1677 1 95 TYR QE 1 97 PHE HA . . 3.710 3.653 2.821 3.800 0.090 19 0 "[ . 1 . 2]" 1
1678 1 95 TYR QE 1 97 PHE QD . . 4.420 2.460 1.956 3.705 . 0 0 "[ . 1 . 2]" 1
1679 1 96 THR H 1 96 THR HB . . 3.290 2.984 2.635 3.192 . 0 0 "[ . 1 . 2]" 1
1680 1 96 THR H 1 96 THR MG . . 3.870 2.258 2.047 3.853 . 0 0 "[ . 1 . 2]" 1
1681 1 96 THR H 1 97 PHE H . . 4.610 4.436 4.351 4.588 . 0 0 "[ . 1 . 2]" 1
1682 1 96 THR HA 1 96 THR MG . . 3.540 3.162 2.453 3.206 . 0 0 "[ . 1 . 2]" 1
1683 1 96 THR HA 1 97 PHE H . . 3.380 2.207 2.167 2.228 . 0 0 "[ . 1 . 2]" 1
1684 1 96 THR HB 1 97 PHE H . . 5.010 4.121 4.038 4.206 . 0 0 "[ . 1 . 2]" 1
1685 1 96 THR MG 1 97 PHE H . . 4.100 3.639 2.282 3.836 . 0 0 "[ . 1 . 2]" 1
1686 1 96 THR MG 1 98 LYS H . . 5.500 5.468 4.741 5.574 0.074 12 0 "[ . 1 . 2]" 1
1687 1 97 PHE H 1 97 PHE HB3 . . 4.150 3.202 3.036 3.640 . 0 0 "[ . 1 . 2]" 1
1688 1 97 PHE H 1 97 PHE QD . . 3.920 3.765 2.981 4.044 0.124 14 0 "[ . 1 . 2]" 1
1689 1 97 PHE H 1 98 LYS H . . 5.500 4.464 4.390 4.514 . 0 0 "[ . 1 . 2]" 1
1690 1 97 PHE H 1 124 VAL MG2 . . 5.500 4.307 3.953 4.732 . 0 0 "[ . 1 . 2]" 1
1691 1 97 PHE HA 1 97 PHE QD . . 4.260 2.504 2.009 2.984 . 0 0 "[ . 1 . 2]" 1
1692 1 97 PHE HA 1 98 LYS H . . 3.090 2.638 2.529 2.728 . 0 0 "[ . 1 . 2]" 1
1693 1 97 PHE HA 1 124 VAL MG2 . . 5.170 5.081 4.740 5.287 0.117 18 0 "[ . 1 . 2]" 1
1694 1 97 PHE HB2 1 98 LYS H . . 4.600 3.674 3.211 3.841 . 0 0 "[ . 1 . 2]" 1
1695 1 97 PHE HB2 1 99 ARG H . . 4.410 4.307 3.954 4.500 0.090 15 0 "[ . 1 . 2]" 1
1696 1 97 PHE HB2 1 124 VAL MG2 . . 4.150 2.759 2.404 3.074 . 0 0 "[ . 1 . 2]" 1
1697 1 97 PHE HB3 1 98 LYS H . . 4.760 2.306 1.939 2.514 . 0 0 "[ . 1 . 2]" 1
1698 1 97 PHE HB3 1 98 LYS HA . . 4.440 4.154 4.082 4.400 . 0 0 "[ . 1 . 2]" 1
1699 1 97 PHE HB3 1 99 ARG H . . 4.770 2.613 2.292 2.822 . 0 0 "[ . 1 . 2]" 1
1700 1 97 PHE HB3 1 124 VAL MG2 . . 4.350 3.363 2.981 3.622 . 0 0 "[ . 1 . 2]" 1
1701 1 97 PHE QD 1 98 LYS H . . 4.910 2.321 1.897 3.495 . 0 0 "[ . 1 . 2]" 1
1702 1 97 PHE QD 1 98 LYS HB2 . . 5.330 4.487 3.561 5.953 0.623 18 1 "[ . 1 . + 2]" 1
1703 1 97 PHE QD 1 99 ARG H . . 4.920 2.492 1.890 4.487 . 0 0 "[ . 1 . 2]" 1
1704 1 97 PHE QD 1 99 ARG QD . . 5.500 4.714 2.108 5.298 . 0 0 "[ . 1 . 2]" 1
1705 1 97 PHE QD 1 124 VAL HB . . 5.090 4.759 4.070 5.112 0.022 7 0 "[ . 1 . 2]" 1
1706 1 97 PHE QD 1 124 VAL MG2 . . 3.770 2.986 1.919 3.731 . 0 0 "[ . 1 . 2]" 1
1707 1 98 LYS H 1 98 LYS HB2 . . 3.620 2.810 2.565 3.258 . 0 0 "[ . 1 . 2]" 1
1708 1 98 LYS H 1 98 LYS HB3 . . 3.860 3.299 2.572 3.809 . 0 0 "[ . 1 . 2]" 1
1709 1 98 LYS H 1 99 ARG H . . 3.180 1.829 1.761 1.871 . 0 0 "[ . 1 . 2]" 1
1710 1 98 LYS H 1 99 ARG QD . . 5.500 4.337 3.139 5.171 . 0 0 "[ . 1 . 2]" 1
1711 1 98 LYS H 1 99 ARG QG . . 5.280 4.678 3.222 5.274 . 0 0 "[ . 1 . 2]" 1
1712 1 98 LYS H 1 124 VAL MG1 . . 5.500 4.670 4.252 5.045 . 0 0 "[ . 1 . 2]" 1
1713 1 98 LYS HA 1 98 LYS HB3 . . 2.810 2.712 2.391 3.024 0.214 19 0 "[ . 1 . 2]" 1
1714 1 98 LYS HA 1 99 ARG H . . 3.540 3.418 3.367 3.481 . 0 0 "[ . 1 . 2]" 1
1715 1 98 LYS HA 1 99 ARG QG . . 5.090 4.971 4.436 5.103 0.013 2 0 "[ . 1 . 2]" 1
1716 1 98 LYS HB2 1 99 ARG H . . 3.260 3.563 2.924 4.204 0.944 19 8 "[ * * - ** . *+*]" 1
1717 1 98 LYS HB2 1 99 ARG QD . . 5.130 3.804 2.022 5.832 0.702 10 1 "[ . + . 2]" 1
1718 1 98 LYS HB3 1 99 ARG H . . 4.970 3.633 2.939 4.194 . 0 0 "[ . 1 . 2]" 1
1719 1 99 ARG H 1 99 ARG HB2 . . 3.410 2.955 2.561 3.773 0.363 10 0 "[ . 1 . 2]" 1
1720 1 99 ARG H 1 99 ARG HB3 . . 3.850 3.616 3.452 3.850 0.000 12 0 "[ . 1 . 2]" 1
1721 1 99 ARG H 1 99 ARG QD . . 5.070 3.486 2.039 4.215 . 0 0 "[ . 1 . 2]" 1
1722 1 99 ARG H 1 99 ARG QG . . 4.190 3.390 2.044 3.961 . 0 0 "[ . 1 . 2]" 1
1723 1 99 ARG H 1 100 PRO HD2 . . 5.170 4.789 4.775 4.809 . 0 0 "[ . 1 . 2]" 1
1724 1 99 ARG H 1 100 PRO HD3 . . 5.140 4.967 4.930 5.016 . 0 0 "[ . 1 . 2]" 1
1725 1 99 ARG H 1 124 VAL MG2 . . 5.500 4.950 4.689 5.179 . 0 0 "[ . 1 . 2]" 1
1726 1 99 ARG HA 1 99 ARG QD . . 4.250 3.531 2.085 3.773 . 0 0 "[ . 1 . 2]" 1
1727 1 99 ARG HA 1 99 ARG QG . . 3.690 2.467 2.071 3.409 . 0 0 "[ . 1 . 2]" 1
1728 1 99 ARG HA 1 100 PRO HA . . 4.580 4.387 4.386 4.389 . 0 0 "[ . 1 . 2]" 1
1729 1 99 ARG HA 1 100 PRO HD2 . . 3.280 2.506 2.414 2.546 . 0 0 "[ . 1 . 2]" 1
1730 1 99 ARG HB2 1 99 ARG QD . . 3.740 2.259 1.944 3.298 . 0 0 "[ . 1 . 2]" 1
1731 1 99 ARG HB2 1 100 PRO HD2 . . 4.720 3.176 1.941 3.788 . 0 0 "[ . 1 . 2]" 1
1732 1 99 ARG QG 1 100 PRO HD2 . . 4.260 2.834 2.009 4.137 . 0 0 "[ . 1 . 2]" 1
1733 1 100 PRO HA 1 101 GLY H . . 3.270 2.273 2.156 2.428 . 0 0 "[ . 1 . 2]" 1
1734 1 100 PRO HA 1 124 VAL HB . . 3.860 2.325 1.983 2.701 . 0 0 "[ . 1 . 2]" 1
1735 1 100 PRO HA 1 124 VAL MG2 . . 3.940 3.754 3.429 3.944 0.004 19 0 "[ . 1 . 2]" 1
1736 1 100 PRO HA 1 125 LYS H . . 5.000 4.811 4.447 5.128 0.128 7 0 "[ . 1 . 2]" 1
1737 1 100 PRO QB 1 101 GLY H . . 3.500 2.871 2.490 3.344 . 0 0 "[ . 1 . 2]" 1
1738 1 100 PRO QB 1 101 GLY QA . . 4.690 3.659 3.545 3.883 . 0 0 "[ . 1 . 2]" 1
1739 1 100 PRO QB 1 124 VAL MG2 . . 5.060 4.986 4.672 5.176 0.116 19 0 "[ . 1 . 2]" 1
1740 1 100 PRO QB 1 125 LYS HA . . 4.030 3.738 3.382 4.045 0.015 11 0 "[ . 1 . 2]" 1
1741 1 100 PRO QB 1 126 GLU H . . 3.890 3.092 2.632 3.505 . 0 0 "[ . 1 . 2]" 1
1742 1 100 PRO QB 1 126 GLU HA . . 4.100 3.576 3.155 4.110 0.010 7 0 "[ . 1 . 2]" 1
1743 1 101 GLY H 1 102 GLU H . . 4.440 4.081 3.930 4.328 . 0 0 "[ . 1 . 2]" 1
1744 1 101 GLY H 1 102 GLU QB . . 5.500 4.990 4.851 5.224 . 0 0 "[ . 1 . 2]" 1
1745 1 101 GLY H 1 103 TYR QD . . 5.500 5.413 5.058 5.664 0.164 7 0 "[ . 1 . 2]" 1
1746 1 101 GLY H 1 103 TYR QE . . 4.570 4.494 3.951 4.610 0.040 13 0 "[ . 1 . 2]" 1
1747 1 101 GLY H 1 124 VAL H . . 4.130 3.021 2.617 3.444 . 0 0 "[ . 1 . 2]" 1
1748 1 101 GLY H 1 124 VAL HA . . 5.500 4.538 4.312 4.792 . 0 0 "[ . 1 . 2]" 1
1749 1 101 GLY H 1 124 VAL HB . . 3.730 1.945 1.806 2.223 . 0 0 "[ . 1 . 2]" 1
1750 1 101 GLY H 1 124 VAL MG2 . . 4.520 3.382 2.518 3.578 . 0 0 "[ . 1 . 2]" 1
1751 1 101 GLY QA 1 102 GLU H . . 3.120 2.150 2.118 2.222 . 0 0 "[ . 1 . 2]" 1
1752 1 101 GLY QA 1 102 GLU QB . . 5.190 4.214 3.979 4.277 . 0 0 "[ . 1 . 2]" 1
1753 1 101 GLY QA 1 102 GLU QG . . 4.310 3.724 3.441 4.033 . 0 0 "[ . 1 . 2]" 1
1754 1 101 GLY QA 1 103 TYR QE . . 4.930 3.650 2.973 4.007 . 0 0 "[ . 1 . 2]" 1
1755 1 101 GLY QA 1 124 VAL HB . . 4.790 3.685 3.531 4.022 . 0 0 "[ . 1 . 2]" 1
1756 1 101 GLY QA 1 124 VAL MG2 . . 5.500 3.848 3.476 4.092 . 0 0 "[ . 1 . 2]" 1
1757 1 102 GLU H 1 102 GLU QB . . 3.540 2.907 2.292 3.096 . 0 0 "[ . 1 . 2]" 1
1758 1 102 GLU H 1 102 GLU QG . . 3.260 2.101 1.951 3.110 . 0 0 "[ . 1 . 2]" 1
1759 1 102 GLU H 1 103 TYR H . . 4.800 4.453 4.328 4.550 . 0 0 "[ . 1 . 2]" 1
1760 1 102 GLU H 1 103 TYR QD . . 4.900 4.040 3.846 4.670 . 0 0 "[ . 1 . 2]" 1
1761 1 102 GLU H 1 124 VAL H . . 5.500 4.656 4.342 5.306 . 0 0 "[ . 1 . 2]" 1
1762 1 102 GLU HA 1 103 TYR H . . 3.390 2.168 2.145 2.231 . 0 0 "[ . 1 . 2]" 1
1763 1 102 GLU HA 1 103 TYR HA . . 4.850 4.416 4.399 4.433 . 0 0 "[ . 1 . 2]" 1
1764 1 102 GLU HA 1 103 TYR QB . . 5.350 4.597 4.539 4.664 . 0 0 "[ . 1 . 2]" 1
1765 1 102 GLU HA 1 103 TYR QD . . 4.080 3.500 3.269 3.661 . 0 0 "[ . 1 . 2]" 1
1766 1 102 GLU HA 1 103 TYR QE . . 5.470 4.162 3.756 4.293 . 0 0 "[ . 1 . 2]" 1
1767 1 102 GLU HA 1 122 ILE HB . . 5.480 5.360 3.685 5.547 0.067 10 0 "[ . 1 . 2]" 1
1768 1 102 GLU HA 1 122 ILE MG . . 5.500 4.438 4.029 4.688 . 0 0 "[ . 1 . 2]" 1
1769 1 102 GLU HA 1 123 VAL HA . . 3.780 2.269 1.981 2.866 . 0 0 "[ . 1 . 2]" 1
1770 1 102 GLU HA 1 123 VAL QG . . 4.690 3.037 2.497 3.952 . 0 0 "[ . 1 . 2]" 1
1771 1 102 GLU HA 1 124 VAL H . . 4.520 3.093 2.767 3.762 . 0 0 "[ . 1 . 2]" 1
1772 1 102 GLU HA 1 124 VAL MG2 . . 5.500 4.108 3.502 4.428 . 0 0 "[ . 1 . 2]" 1
1773 1 102 GLU QB 1 103 TYR H . . 4.340 3.090 2.831 3.225 . 0 0 "[ . 1 . 2]" 1
1774 1 102 GLU QB 1 103 TYR QD . . 5.260 4.764 4.590 4.917 . 0 0 "[ . 1 . 2]" 1
1775 1 102 GLU QB 1 123 VAL HA . . 4.420 3.176 2.412 3.887 . 0 0 "[ . 1 . 2]" 1
1776 1 102 GLU QB 1 123 VAL QG . . 4.310 2.433 1.882 3.801 . 0 0 "[ . 1 . 2]" 1
1777 1 102 GLU QB 1 124 VAL H . . 4.930 3.954 3.319 4.671 . 0 0 "[ . 1 . 2]" 1
1778 1 102 GLU QG 1 103 TYR H . . 4.740 4.297 3.655 4.438 . 0 0 "[ . 1 . 2]" 1
1779 1 103 TYR H 1 103 TYR QD . . 3.600 3.036 2.698 3.165 . 0 0 "[ . 1 . 2]" 1
1780 1 103 TYR H 1 103 TYR QE . . 4.510 4.153 4.042 4.294 . 0 0 "[ . 1 . 2]" 1
1781 1 103 TYR H 1 104 ARG H . . 5.400 4.307 4.197 4.411 . 0 0 "[ . 1 . 2]" 1
1782 1 103 TYR H 1 122 ILE H . . 4.000 3.455 2.926 3.972 . 0 0 "[ . 1 . 2]" 1
1783 1 103 TYR H 1 122 ILE HA . . 5.500 5.050 4.558 5.441 . 0 0 "[ . 1 . 2]" 1
1784 1 103 TYR H 1 122 ILE HB . . 4.520 3.869 2.362 4.155 . 0 0 "[ . 1 . 2]" 1
1785 1 103 TYR H 1 122 ILE MD . . 5.500 5.093 4.641 5.369 . 0 0 "[ . 1 . 2]" 1
1786 1 103 TYR H 1 122 ILE MG . . 5.170 3.942 3.559 4.291 . 0 0 "[ . 1 . 2]" 1
1787 1 103 TYR H 1 123 VAL HA . . 4.320 3.311 2.925 4.060 . 0 0 "[ . 1 . 2]" 1
1788 1 103 TYR H 1 124 VAL H . . 5.280 4.726 4.397 5.275 . 0 0 "[ . 1 . 2]" 1
1789 1 103 TYR H 1 124 VAL MG2 . . 5.500 4.759 4.453 5.156 . 0 0 "[ . 1 . 2]" 1
1790 1 103 TYR HA 1 103 TYR QD . . 3.820 3.605 3.254 3.677 . 0 0 "[ . 1 . 2]" 1
1791 1 103 TYR HA 1 104 ARG H . . 3.050 2.201 2.150 2.265 . 0 0 "[ . 1 . 2]" 1
1792 1 103 TYR QB 1 104 ARG H . . 4.330 2.977 2.800 3.202 . 0 0 "[ . 1 . 2]" 1
1793 1 103 TYR QB 1 122 ILE H . . 5.200 4.793 3.545 5.269 0.069 19 0 "[ . 1 . 2]" 1
1794 1 103 TYR QB 1 122 ILE HB . . 4.920 4.377 2.874 4.670 . 0 0 "[ . 1 . 2]" 1
1795 1 103 TYR QB 1 122 ILE MD . . 5.070 4.669 2.862 5.175 0.105 8 0 "[ . 1 . 2]" 1
1796 1 103 TYR QB 1 122 ILE MG . . 5.260 4.862 4.104 5.081 . 0 0 "[ . 1 . 2]" 1
1797 1 103 TYR QB 1 124 VAL MG2 . . 5.480 5.461 5.324 5.665 0.185 18 0 "[ . 1 . 2]" 1
1798 1 103 TYR QD 1 104 ARG H . . 4.690 4.529 4.262 4.772 0.082 8 0 "[ . 1 . 2]" 1
1799 1 103 TYR QD 1 122 ILE H . . 5.490 4.155 3.501 4.746 . 0 0 "[ . 1 . 2]" 1
1800 1 103 TYR QD 1 122 ILE HB . . 4.100 2.650 1.933 2.928 . 0 0 "[ . 1 . 2]" 1
1801 1 103 TYR QD 1 122 ILE MD . . 3.520 3.232 2.989 3.765 0.245 8 0 "[ . 1 . 2]" 1
1802 1 103 TYR QD 1 122 ILE MG . . 4.210 3.491 2.415 3.722 . 0 0 "[ . 1 . 2]" 1
1803 1 103 TYR QD 1 124 VAL H . . 5.420 5.032 4.671 5.347 . 0 0 "[ . 1 . 2]" 1
1804 1 103 TYR QE 1 122 ILE HB . . 3.530 2.579 2.153 3.789 0.259 7 0 "[ . 1 . 2]" 1
1805 1 103 TYR QE 1 122 ILE MG . . 4.840 2.225 1.952 2.444 . 0 0 "[ . 1 . 2]" 1
1806 1 103 TYR QE 1 124 VAL H . . 4.260 4.134 3.810 4.372 0.112 8 0 "[ . 1 . 2]" 1
1807 1 103 TYR QE 1 124 VAL HB . . 4.380 3.809 3.543 4.247 . 0 0 "[ . 1 . 2]" 1
1808 1 103 TYR QE 1 124 VAL MG2 . . 3.490 2.034 1.928 2.392 . 0 0 "[ . 1 . 2]" 1
1809 1 104 ARG H 1 104 ARG QB . . 3.700 3.129 2.831 3.305 . 0 0 "[ . 1 . 2]" 1
1810 1 104 ARG H 1 105 ILE HB . . 4.730 4.389 3.822 4.777 0.047 13 0 "[ . 1 . 2]" 1
1811 1 104 ARG HA 1 105 ILE H . . 3.440 2.495 2.141 2.814 . 0 0 "[ . 1 . 2]" 1
1812 1 104 ARG HA 1 121 THR HA . . 4.170 2.441 1.962 3.691 . 0 0 "[ . 1 . 2]" 1
1813 1 104 ARG HA 1 122 ILE H . . 4.450 3.311 2.850 3.710 . 0 0 "[ . 1 . 2]" 1
1814 1 104 ARG HA 1 122 ILE HB . . 5.190 4.686 3.996 5.293 0.103 7 0 "[ . 1 . 2]" 1
1815 1 104 ARG QB 1 105 ILE H . . 4.070 2.704 1.897 3.865 . 0 0 "[ . 1 . 2]" 1
1816 1 104 ARG QB 1 121 THR H . . 5.090 4.221 3.694 4.749 . 0 0 "[ . 1 . 2]" 1
1817 1 104 ARG QB 1 121 THR HA . . 4.190 2.152 1.914 2.756 . 0 0 "[ . 1 . 2]" 1
1818 1 104 ARG QB 1 121 THR HB . . 4.450 3.764 2.245 4.494 0.044 11 0 "[ . 1 . 2]" 1
1819 1 104 ARG QB 1 122 ILE H . . 5.230 3.104 2.166 4.332 . 0 0 "[ . 1 . 2]" 1
1820 1 105 ILE H 1 106 ILE H . . 5.500 4.253 3.740 4.420 . 0 0 "[ . 1 . 2]" 1
1821 1 105 ILE H 1 119 PHE HA . . 5.330 4.652 3.812 5.446 0.116 1 0 "[ . 1 . 2]" 1
1822 1 105 ILE H 1 119 PHE HB3 . . 5.430 3.520 2.444 4.619 . 0 0 "[ . 1 . 2]" 1
1823 1 105 ILE H 1 119 PHE QD . . 5.290 4.565 3.202 5.311 0.021 18 0 "[ . 1 . 2]" 1
1824 1 105 ILE H 1 120 GLY H . . 4.650 3.415 2.343 4.189 . 0 0 "[ . 1 . 2]" 1
1825 1 105 ILE H 1 120 GLY HA3 . . 4.340 4.319 2.860 5.262 0.922 12 2 "[ . -1 + . 2]" 1
1826 1 105 ILE H 1 121 THR HA . . 4.600 3.890 3.197 4.612 0.012 1 0 "[ . 1 . 2]" 1
1827 1 105 ILE HA 1 106 ILE H . . 3.510 2.269 2.140 2.358 . 0 0 "[ . 1 . 2]" 1
1828 1 105 ILE HA 1 106 ILE HB . . 5.500 4.433 4.344 4.561 . 0 0 "[ . 1 . 2]" 1
1829 1 105 ILE HA 1 119 PHE QD . . 4.640 2.589 1.997 3.667 . 0 0 "[ . 1 . 2]" 1
1830 1 105 ILE HA 1 119 PHE QE . . 5.120 4.381 3.837 5.088 . 0 0 "[ . 1 . 2]" 1
1831 1 105 ILE HB 1 119 PHE QD . . 5.030 4.660 3.856 5.049 0.019 20 0 "[ . 1 . 2]" 1
1832 1 106 ILE H 1 106 ILE MD . . 5.450 4.131 3.905 4.711 . 0 0 "[ . 1 . 2]" 1
1833 1 106 ILE H 1 106 ILE QG . . 4.850 4.156 3.939 4.277 . 0 0 "[ . 1 . 2]" 1
1834 1 106 ILE H 1 106 ILE MG . . 4.420 2.141 1.974 2.434 . 0 0 "[ . 1 . 2]" 1
1835 1 106 ILE H 1 119 PHE QE . . 4.560 3.644 3.139 4.574 0.014 6 0 "[ . 1 . 2]" 1
1836 1 106 ILE HA 1 109 GLN QE . . 5.370 4.047 2.583 5.001 . 0 0 "[ . 1 . 2]" 1
1837 1 106 ILE HA 1 119 PHE HA . . 5.040 4.809 4.202 5.120 0.080 6 0 "[ . 1 . 2]" 1
1838 1 106 ILE HA 1 120 GLY H . . 5.500 4.434 3.483 5.465 . 0 0 "[ . 1 . 2]" 1
1839 1 106 ILE HB 1 117 ASN QD . . 5.500 4.124 3.044 5.057 . 0 0 "[ . 1 . 2]" 1
1840 1 106 ILE HB 1 119 PHE HA . . 4.060 2.990 1.981 3.696 . 0 0 "[ . 1 . 2]" 1
1841 1 106 ILE HB 1 119 PHE HB3 . . 5.500 4.544 1.983 5.533 0.033 2 0 "[ . 1 . 2]" 1
1842 1 106 ILE HB 1 119 PHE QE . . 5.500 5.480 5.292 5.782 0.282 9 0 "[ . 1 . 2]" 1
1843 1 106 ILE MD 1 109 GLN HG2 . . 4.780 3.799 2.315 5.400 0.620 3 1 "[ + . 1 . 2]" 1
1844 1 106 ILE MD 1 113 LEU H . . 5.500 4.118 2.518 5.485 . 0 0 "[ . 1 . 2]" 1
1845 1 106 ILE MD 1 113 LEU QB . . 2.910 2.780 1.904 3.004 0.094 14 0 "[ . 1 . 2]" 1
1846 1 106 ILE MD 1 114 GLY H . . 5.500 3.980 1.922 5.418 . 0 0 "[ . 1 . 2]" 1
1847 1 106 ILE MD 1 114 GLY QA . . 5.500 4.887 1.877 5.587 0.087 9 0 "[ . 1 . 2]" 1
1848 1 106 ILE MD 1 117 ASN QD . . 3.860 2.719 1.812 3.753 . 0 0 "[ . 1 . 2]" 1
1849 1 106 ILE MD 1 119 PHE QE . . 5.500 5.065 4.483 5.682 0.182 9 0 "[ . 1 . 2]" 1
1850 1 106 ILE QG 1 109 GLN QE . . 4.170 2.614 1.856 3.407 . 0 0 "[ . 1 . 2]" 1
1851 1 106 ILE QG 1 109 GLN HG2 . . 5.140 3.512 2.361 4.904 . 0 0 "[ . 1 . 2]" 1
1852 1 106 ILE QG 1 117 ASN QD . . 4.100 3.014 2.071 3.940 . 0 0 "[ . 1 . 2]" 1
1853 1 106 ILE MG 1 117 ASN H . . 5.500 5.469 4.276 5.612 0.112 12 0 "[ . 1 . 2]" 1
1854 1 106 ILE MG 1 117 ASN QD . . 4.340 3.131 1.873 4.046 . 0 0 "[ . 1 . 2]" 1
1855 1 106 ILE MG 1 119 PHE HA . . 4.880 2.613 1.974 4.110 . 0 0 "[ . 1 . 2]" 1
1856 1 106 ILE MG 1 119 PHE HB2 . . 5.070 4.591 3.592 5.099 0.029 19 0 "[ . 1 . 2]" 1
1857 1 106 ILE MG 1 119 PHE HB3 . . 4.470 3.773 2.038 4.371 . 0 0 "[ . 1 . 2]" 1
1858 1 106 ILE MG 1 119 PHE QD . . 4.260 2.145 1.804 2.742 . 0 0 "[ . 1 . 2]" 1
1859 1 106 ILE MG 1 119 PHE QE . . 4.360 3.057 2.733 3.507 . 0 0 "[ . 1 . 2]" 1
1860 1 109 GLN HA 1 109 GLN QE . . 5.500 4.285 3.422 5.203 . 0 0 "[ . 1 . 2]" 1
1861 1 109 GLN HA 1 109 GLN HG2 . . 3.830 3.016 2.122 3.638 . 0 0 "[ . 1 . 2]" 1
1862 1 109 GLN HA 1 109 GLN HG3 . . 3.710 3.104 2.056 3.887 0.177 13 0 "[ . 1 . 2]" 1
1863 1 109 GLN HA 1 110 TYR HB2 . . 4.760 4.366 3.838 5.553 0.793 6 1 "[ .+ 1 . 2]" 1
1864 1 109 GLN HA 1 110 TYR HB3 . . 5.480 5.097 4.186 5.669 0.189 3 0 "[ . 1 . 2]" 1
1865 1 109 GLN QB 1 110 TYR HB3 . . 5.370 4.540 3.475 5.401 0.031 15 0 "[ . 1 . 2]" 1
1866 1 109 GLN QB 1 110 TYR QD . . 5.500 5.292 3.992 5.622 0.122 20 0 "[ . 1 . 2]" 1
1867 1 109 GLN QB 1 111 CYS QB . . 4.650 4.170 2.926 5.158 0.508 9 1 "[ . +1 . 2]" 1
1868 1 110 TYR HA 1 110 TYR QD . . 3.660 2.537 1.991 3.632 . 0 0 "[ . 1 . 2]" 1
1869 1 110 TYR HA 1 110 TYR QE . . 5.370 4.443 4.132 5.558 0.188 6 0 "[ . 1 . 2]" 1
1870 1 110 TYR HA 1 112 GLY H . . 4.980 4.249 3.123 5.066 0.086 14 0 "[ . 1 . 2]" 1
1871 1 110 TYR QD 1 111 CYS H . . 4.070 3.519 1.906 4.204 0.134 15 0 "[ . 1 . 2]" 1
1872 1 111 CYS H 1 111 CYS QB . . 3.900 2.742 2.086 3.410 . 0 0 "[ . 1 . 2]" 1
1873 1 111 CYS QB 1 112 GLY H . . 5.500 3.018 2.012 4.028 . 0 0 "[ . 1 . 2]" 1
1874 1 112 GLY H 1 113 LEU QB . . 4.790 4.400 3.408 4.950 0.160 14 0 "[ . 1 . 2]" 1
1875 1 113 LEU H 1 113 LEU QB . . 3.680 2.573 2.054 3.271 . 0 0 "[ . 1 . 2]" 1
1876 1 113 LEU HA 1 113 LEU MD1 . . 3.720 3.087 1.978 4.075 0.355 12 0 "[ . 1 . 2]" 1
1877 1 113 LEU HA 1 113 LEU HG . . 3.710 3.360 2.225 3.687 . 0 0 "[ . 1 . 2]" 1
1878 1 113 LEU QB 1 114 GLY H . . 4.440 3.041 1.898 4.027 . 0 0 "[ . 1 . 2]" 1
1879 1 113 LEU QB 1 114 GLY QA . . 5.500 4.014 3.324 4.701 . 0 0 "[ . 1 . 2]" 1
1880 1 113 LEU MD1 1 114 GLY H . . 5.500 3.382 1.887 4.890 . 0 0 "[ . 1 . 2]" 1
1881 1 113 LEU MD1 1 114 GLY QA . . 4.340 3.841 2.412 5.334 0.994 7 3 "[ . + 1 * . -]" 1
1882 1 117 ASN QB 1 118 MET H . . 4.230 3.155 1.920 3.949 . 0 0 "[ . 1 . 2]" 1
1883 1 118 MET H 1 119 PHE H . . 5.500 4.539 4.406 4.584 . 0 0 "[ . 1 . 2]" 1
1884 1 119 PHE H 1 119 PHE QD . . 4.320 2.890 2.044 3.319 . 0 0 "[ . 1 . 2]" 1
1885 1 119 PHE H 1 119 PHE QE . . 4.680 4.521 3.758 4.770 0.090 13 0 "[ . 1 . 2]" 1
1886 1 119 PHE H 1 120 GLY H . . 5.440 4.489 4.425 4.589 . 0 0 "[ . 1 . 2]" 1
1887 1 119 PHE HA 1 119 PHE QD . . 4.000 2.621 1.971 3.633 . 0 0 "[ . 1 . 2]" 1
1888 1 119 PHE HA 1 120 GLY HA3 . . 5.080 4.378 4.304 4.500 . 0 0 "[ . 1 . 2]" 1
1889 1 119 PHE HB2 1 120 GLY H . . 4.620 3.884 2.374 4.394 . 0 0 "[ . 1 . 2]" 1
1890 1 119 PHE HB3 1 120 GLY H . . 4.780 3.148 2.350 3.483 . 0 0 "[ . 1 . 2]" 1
1891 1 119 PHE QD 1 120 GLY H . . 4.830 4.015 3.439 4.505 . 0 0 "[ . 1 . 2]" 1
1892 1 120 GLY H 1 121 THR H . . 5.370 4.276 3.495 4.635 . 0 0 "[ . 1 . 2]" 1
1893 1 121 THR H 1 121 THR HB . . 3.840 2.760 2.329 3.488 . 0 0 "[ . 1 . 2]" 1
1894 1 121 THR H 1 121 THR MG . . 4.800 3.373 2.087 3.988 . 0 0 "[ . 1 . 2]" 1
1895 1 121 THR H 1 122 ILE H . . 5.060 4.342 3.988 4.598 . 0 0 "[ . 1 . 2]" 1
1896 1 121 THR HA 1 121 THR MG . . 3.650 2.610 2.157 3.198 . 0 0 "[ . 1 . 2]" 1
1897 1 121 THR HA 1 122 ILE H . . 3.300 2.188 2.142 2.311 . 0 0 "[ . 1 . 2]" 1
1898 1 121 THR HA 1 122 ILE HB . . 4.540 4.478 4.276 4.744 0.204 8 0 "[ . 1 . 2]" 1
1899 1 121 THR HA 1 122 ILE MD . . 4.050 3.318 2.989 4.095 0.045 8 0 "[ . 1 . 2]" 1
1900 1 121 THR HA 1 122 ILE MG . . 5.500 5.432 5.371 5.481 . 0 0 "[ . 1 . 2]" 1
1901 1 121 THR HB 1 122 ILE H . . 4.700 4.183 3.914 4.353 . 0 0 "[ . 1 . 2]" 1
1902 1 121 THR MG 1 122 ILE H . . 4.930 2.828 2.035 3.902 . 0 0 "[ . 1 . 2]" 1
1903 1 121 THR MG 1 122 ILE HA . . 5.370 3.519 3.159 3.953 . 0 0 "[ . 1 . 2]" 1
1904 1 121 THR MG 1 122 ILE MG . . 5.500 4.942 4.552 5.426 . 0 0 "[ . 1 . 2]" 1
1905 1 121 THR MG 1 123 VAL H . . 5.500 4.470 3.506 5.394 . 0 0 "[ . 1 . 2]" 1
1906 1 122 ILE H 1 122 ILE HB . . 4.150 2.842 2.753 2.971 . 0 0 "[ . 1 . 2]" 1
1907 1 122 ILE H 1 122 ILE MD . . 4.810 3.058 2.579 3.765 . 0 0 "[ . 1 . 2]" 1
1908 1 122 ILE H 1 123 VAL H . . 5.110 4.222 3.923 4.381 . 0 0 "[ . 1 . 2]" 1
1909 1 122 ILE HA 1 123 VAL H . . 3.500 2.185 2.139 2.259 . 0 0 "[ . 1 . 2]" 1
1910 1 122 ILE HA 1 123 VAL HB . . 5.020 4.627 4.366 5.647 0.627 16 2 "[ .- 1 .+ 2]" 1
1911 1 122 ILE HA 1 124 VAL MG2 . . 5.500 5.470 5.230 5.626 0.126 2 0 "[ . 1 . 2]" 1
1912 1 122 ILE HB 1 122 ILE MD . . 3.530 2.173 2.049 3.217 . 0 0 "[ . 1 . 2]" 1
1913 1 122 ILE HB 1 123 VAL H . . 5.060 4.163 3.681 4.409 . 0 0 "[ . 1 . 2]" 1
1914 1 122 ILE HB 1 124 VAL MG2 . . 5.500 4.851 3.981 5.206 . 0 0 "[ . 1 . 2]" 1
1915 1 122 ILE MD 1 122 ILE MG . . 3.890 3.041 2.003 3.147 . 0 0 "[ . 1 . 2]" 1
1916 1 122 ILE MD 1 123 VAL H . . 4.910 4.910 3.809 5.102 0.192 2 0 "[ . 1 . 2]" 1
1917 1 122 ILE MG 1 123 VAL H . . 4.080 2.432 2.054 3.076 . 0 0 "[ . 1 . 2]" 1
1918 1 122 ILE MG 1 123 VAL HA . . 5.090 3.441 3.281 3.849 . 0 0 "[ . 1 . 2]" 1
1919 1 122 ILE MG 1 123 VAL HB . . 4.970 4.742 4.409 5.057 0.087 12 0 "[ . 1 . 2]" 1
1920 1 122 ILE MG 1 124 VAL H . . 5.260 4.118 3.731 4.434 . 0 0 "[ . 1 . 2]" 1
1921 1 122 ILE MG 1 124 VAL HA . . 5.270 4.318 4.018 4.587 . 0 0 "[ . 1 . 2]" 1
1922 1 122 ILE MG 1 124 VAL HB . . 5.500 5.158 4.742 5.492 . 0 0 "[ . 1 . 2]" 1
1923 1 122 ILE MG 1 124 VAL MG2 . . 3.900 2.796 2.489 3.108 . 0 0 "[ . 1 . 2]" 1
1924 1 123 VAL H 1 123 VAL HB . . 3.770 3.082 2.588 3.894 0.124 6 0 "[ . 1 . 2]" 1
1925 1 123 VAL H 1 123 VAL QG . . 3.850 2.321 1.965 2.986 . 0 0 "[ . 1 . 2]" 1
1926 1 123 VAL H 1 124 VAL H . . 4.930 4.360 4.118 4.469 . 0 0 "[ . 1 . 2]" 1
1927 1 123 VAL H 1 124 VAL MG2 . . 5.500 4.364 3.985 4.643 . 0 0 "[ . 1 . 2]" 1
1928 1 123 VAL HA 1 124 VAL H . . 3.080 2.181 2.142 2.217 . 0 0 "[ . 1 . 2]" 1
1929 1 123 VAL HB 1 124 VAL H . . 4.920 4.040 2.982 4.356 . 0 0 "[ . 1 . 2]" 1
1930 1 123 VAL QG 1 124 VAL H . . 3.870 2.419 2.063 3.385 . 0 0 "[ . 1 . 2]" 1
1931 1 123 VAL QG 1 124 VAL HA . . 4.710 3.591 3.473 3.759 . 0 0 "[ . 1 . 2]" 1
1932 1 123 VAL QG 1 124 VAL MG2 . . 5.280 3.933 3.797 4.192 . 0 0 "[ . 1 . 2]" 1
1933 1 123 VAL QG 1 125 LYS H . . 5.150 3.985 3.670 4.263 . 0 0 "[ . 1 . 2]" 1
1934 1 123 VAL QG 1 125 LYS QG . . 3.800 3.031 2.725 3.243 . 0 0 "[ . 1 . 2]" 1
1935 1 124 VAL H 1 124 VAL HB . . 3.780 2.579 2.499 2.658 . 0 0 "[ . 1 . 2]" 1
1936 1 124 VAL H 1 124 VAL MG2 . . 3.960 2.547 2.389 2.696 . 0 0 "[ . 1 . 2]" 1
1937 1 124 VAL H 1 125 LYS H . . 5.500 4.423 4.297 4.504 . 0 0 "[ . 1 . 2]" 1
1938 1 124 VAL H 1 125 LYS QG . . 5.500 5.037 4.851 5.220 . 0 0 "[ . 1 . 2]" 1
1939 1 124 VAL HA 1 125 LYS H . . 3.220 2.156 2.139 2.214 . 0 0 "[ . 1 . 2]" 1
1940 1 124 VAL HB 1 125 LYS H . . 4.980 4.160 3.932 4.311 . 0 0 "[ . 1 . 2]" 1
1941 1 124 VAL MG1 1 125 LYS H . . 4.770 2.455 1.991 2.871 . 0 0 "[ . 1 . 2]" 1
1942 1 124 VAL MG2 1 125 LYS H . . 4.600 4.067 3.910 4.174 . 0 0 "[ . 1 . 2]" 1
1943 1 125 LYS H 1 125 LYS HB2 . . 3.810 2.737 2.653 2.829 . 0 0 "[ . 1 . 2]" 1
1944 1 125 LYS H 1 125 LYS HB3 . . 3.890 3.715 3.632 3.790 . 0 0 "[ . 1 . 2]" 1
1945 1 125 LYS H 1 125 LYS QD . . 4.140 3.126 2.818 3.434 . 0 0 "[ . 1 . 2]" 1
1946 1 125 LYS H 1 125 LYS QG . . 4.160 2.290 2.087 2.446 . 0 0 "[ . 1 . 2]" 1
1947 1 125 LYS H 1 125 LYS HG3 . . 4.190 3.817 3.649 3.942 . 0 0 "[ . 1 . 2]" 1
1948 1 125 LYS H 1 126 GLU H . . 4.660 4.471 4.366 4.564 . 0 0 "[ . 1 . 2]" 1
1949 1 125 LYS HA 1 125 LYS QD . . 3.590 2.267 2.187 2.335 . 0 0 "[ . 1 . 2]" 1
1950 1 125 LYS HA 1 125 LYS QG . . 3.370 3.160 3.116 3.210 . 0 0 "[ . 1 . 2]" 1
1951 1 125 LYS HA 1 126 GLU H . . 2.670 2.174 2.148 2.216 . 0 0 "[ . 1 . 2]" 1
1952 1 125 LYS HA 1 126 GLU HA . . 4.470 4.357 4.330 4.368 . 0 0 "[ . 1 . 2]" 1
1953 1 125 LYS HA 1 126 GLU QB . . 4.710 4.473 4.412 4.619 . 0 0 "[ . 1 . 2]" 1
1954 1 125 LYS HA 1 126 GLU QG . . 4.110 3.739 3.461 4.123 0.013 1 0 "[ . 1 . 2]" 1
1955 1 125 LYS HB2 1 125 LYS QE . . 4.110 3.630 3.382 4.181 0.071 16 0 "[ . 1 . 2]" 1
1956 1 125 LYS HB2 1 126 GLU H . . 3.940 3.946 3.785 4.047 0.107 19 0 "[ . 1 . 2]" 1
1957 1 125 LYS HB3 1 125 LYS QD . . 3.610 2.824 2.297 3.018 . 0 0 "[ . 1 . 2]" 1
1958 1 125 LYS HB3 1 125 LYS QE . . 4.410 2.487 2.019 3.630 . 0 0 "[ . 1 . 2]" 1
1959 1 125 LYS HB3 1 126 GLU H . . 3.410 3.204 3.027 3.374 . 0 0 "[ . 1 . 2]" 1
1960 1 125 LYS QD 1 126 GLU H . . 4.850 4.192 3.864 4.363 . 0 0 "[ . 1 . 2]" 1
1961 1 125 LYS QG 1 126 GLU H . . 4.970 4.745 4.678 4.808 . 0 0 "[ . 1 . 2]" 1
1962 1 126 GLU H 1 126 GLU QB . . 3.120 2.700 2.549 2.824 . 0 0 "[ . 1 . 2]" 1
1963 1 126 GLU H 1 126 GLU QG . . 3.240 2.000 1.914 2.666 . 0 0 "[ . 1 . 2]" 1
1964 1 126 GLU HA 1 126 GLU QG . . 3.480 3.142 2.454 3.350 . 0 0 "[ . 1 . 2]" 1
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