NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
347873 |
2jzd   |
15618 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jzd
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 2466
_Distance_constraint_stats_list.Viol_count 4893
_Distance_constraint_stats_list.Viol_total 14727.696
_Distance_constraint_stats_list.Viol_max 3.083
_Distance_constraint_stats_list.Viol_rms 0.0848
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.1505
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.834 0.127 17 0 "[ . 1 . 2]"
1 4 MET 32.303 2.312 19 10 "[ * *.*** **- . *+2]"
1 5 GLY 1.209 0.126 19 0 "[ . 1 . 2]"
1 6 THR 11.816 0.865 17 7 "[ * **- *1 .*+ 2]"
1 7 VAL 7.164 0.150 17 0 "[ . 1 . 2]"
1 8 SER 7.275 0.771 2 2 "[ + - 1 . 2]"
1 9 TRP 13.385 0.205 14 0 "[ . 1 . 2]"
1 10 ASN 5.895 0.466 13 0 "[ . 1 . 2]"
1 11 LEU 13.774 1.497 16 9 "[ ***** 1 -+** 2]"
1 12 ARG 6.490 0.624 16 2 "[ . 1 .+- 2]"
1 13 GLU 7.134 0.426 2 0 "[ . 1 . 2]"
1 14 MET 6.242 0.156 19 0 "[ . 1 . 2]"
1 15 LEU 21.304 1.119 5 13 "[** *+ -*** *****2]"
1 16 ALA 5.517 0.692 1 3 "[+ . * - . 2]"
1 17 HIS 15.317 0.696 5 8 "[ **+ -1 ** **2]"
1 18 ALA 5.213 0.560 9 1 "[ . +1 . 2]"
1 19 GLU 27.561 2.653 9 7 "[* *. * +- * *2]"
1 20 GLU 3.334 0.458 20 0 "[ . 1 . 2]"
1 21 THR 9.658 0.696 5 8 "[ **+ -1 ** **2]"
1 22 ARG 16.353 2.653 9 4 "[ *. +1 * -2]"
1 23 LYS 6.801 0.678 19 1 "[ . 1 . +2]"
1 24 LEU 1.447 0.370 1 0 "[ . 1 . 2]"
1 25 MET 22.047 1.676 3 14 "[**+****- * ** .** *]"
1 26 PRO 5.754 0.303 3 0 "[ . 1 . 2]"
1 27 ILE 26.541 1.676 3 13 "[ *+***** * ** .** -]"
1 28 CYS 2.410 0.135 18 0 "[ . 1 . 2]"
1 29 MET 35.520 1.203 6 20 [*****+***********-**]
1 30 ASP 2.023 0.182 14 0 "[ . 1 . 2]"
1 31 VAL 3.878 0.316 6 0 "[ . 1 . 2]"
1 32 ARG 5.617 0.316 6 0 "[ . 1 . 2]"
1 33 ALA 0.831 0.128 12 0 "[ . 1 . 2]"
1 34 ILE 4.867 0.140 18 0 "[ . 1 . 2]"
1 35 MET 7.487 0.845 17 1 "[ . 1 . + 2]"
1 36 ALA 27.044 3.083 13 14 "[ *-**** *** +** **]"
1 37 THR 20.197 1.497 16 9 "[ ***** 1 -+** 2]"
1 38 ILE 36.232 1.048 18 20 [****-************+**]
1 39 GLN 12.919 0.980 19 9 "[* . *** *-* * +2]"
1 40 ARG 37.157 3.083 13 16 "[******* *** +-* * **]"
1 41 LYS 12.070 0.645 3 4 "[ + . - *1 .* 2]"
1 42 TYR 31.189 1.048 18 20 [******-**********+**]
1 43 LYS 14.749 1.008 10 11 "[ **. ***+ *-*.* *2]"
1 44 GLY 0.191 0.095 19 0 "[ . 1 . 2]"
1 45 ILE 17.790 0.425 1 0 "[ . 1 . 2]"
1 46 LYS 11.719 0.590 13 2 "[ . 1 -+ . 2]"
1 47 ILE 40.809 1.203 6 18 "[*****+**********- *2]"
1 48 GLN 16.936 0.780 7 3 "[ . + 1 * . -2]"
1 49 GLU 5.394 0.440 3 0 "[ . 1 . 2]"
1 50 GLY 0.643 0.124 4 0 "[ . 1 . 2]"
1 51 ILE 6.823 0.546 8 3 "[ * . + 1 - 2]"
1 52 VAL 12.404 0.688 12 2 "[ . 1 + . - 2]"
1 53 ASP 1.520 0.114 20 0 "[ . 1 . 2]"
1 54 TYR 10.993 0.328 13 0 "[ . 1 . 2]"
1 55 GLY 0.456 0.097 7 0 "[ . 1 . 2]"
1 56 VAL 2.796 0.133 5 0 "[ . 1 . 2]"
1 57 ARG 3.673 0.561 1 2 "[+ . - 1 . 2]"
1 58 PHE 18.781 0.546 8 3 "[ * . + 1 - 2]"
1 59 PHE 10.733 0.744 15 7 "[ * . **** + - 2]"
1 60 PHE 23.139 0.548 17 3 "[ * . 1 . +- 2]"
1 61 TYR 9.297 0.285 13 0 "[ . 1 . 2]"
1 62 THR 5.167 0.263 17 0 "[ . 1 . 2]"
1 63 SER 3.388 0.441 3 0 "[ . 1 . 2]"
1 64 LYS 5.854 0.563 8 1 "[ . + 1 . 2]"
1 65 GLU 15.983 1.275 14 13 "[ ** .- ***** +*** *2]"
1 66 PRO 28.916 1.106 13 19 "[**-**** ****+*******]"
1 67 VAL 15.914 0.364 5 0 "[ . 1 . 2]"
1 68 ALA 5.064 0.397 18 0 "[ . 1 . 2]"
1 69 SER 16.869 1.275 14 12 "[ ** .- **** +*** *2]"
1 70 ILE 15.493 0.678 11 1 "[ . 1+ . 2]"
1 71 ILE 9.525 0.686 12 1 "[ . 1 + . 2]"
1 72 THR 6.868 0.632 10 2 "[ .- + . 2]"
1 73 LYS 7.408 0.962 2 4 "[ + .- ** . 2]"
1 74 LEU 5.238 0.518 20 7 "[ - . * * * . * *+]"
1 75 ASN 3.535 0.143 14 0 "[ . 1 . 2]"
1 76 SER 6.231 0.149 19 0 "[ . 1 . 2]"
1 77 LEU 10.539 0.744 15 6 "[ * . ** * + - 2]"
1 78 ASN 3.256 0.134 3 0 "[ . 1 . 2]"
1 79 GLU 5.149 0.134 3 0 "[ . 1 . 2]"
1 80 PRO 6.270 0.678 19 1 "[ . 1 . +2]"
1 81 LEU 11.499 0.913 3 1 "[ + . 1 . 2]"
1 82 VAL 2.313 0.388 3 0 "[ . 1 . 2]"
1 83 THR 3.539 0.148 16 0 "[ . 1 . 2]"
1 84 MET 2.230 0.138 17 0 "[ . 1 . 2]"
1 85 PRO 4.428 0.138 6 0 "[ . 1 . 2]"
1 86 ILE 6.773 0.143 10 0 "[ . 1 . 2]"
1 87 GLY 2.209 0.363 14 0 "[ . 1 . 2]"
1 88 TYR 11.124 0.144 9 0 "[ . 1 . 2]"
1 89 VAL 4.442 0.131 14 0 "[ . 1 . 2]"
1 90 THR 2.418 0.131 14 0 "[ . 1 . 2]"
1 91 HIS 25.437 1.106 13 19 "[**-**** ****+*******]"
1 92 GLY 2.465 0.360 20 0 "[ . 1 . 2]"
1 93 PHE 12.332 0.363 14 0 "[ . 1 . 2]"
1 94 ASN 22.717 0.947 14 6 "[*- .* * *+. 2]"
1 95 LEU 11.294 0.947 14 6 "[** .* - *+. 2]"
1 96 GLU 10.478 0.977 3 4 "[ *+ . *- . 2]"
1 97 GLU 11.774 0.857 14 6 "[ * .* *1 *+. -2]"
1 98 ALA 3.720 0.116 2 0 "[ . 1 . 2]"
1 99 ALA 9.919 0.512 5 1 "[ + 1 . 2]"
1 100 ARG 9.846 0.800 12 5 "[ * .- 1 + ** 2]"
1 101 CYS 8.028 0.686 12 2 "[ - 1 + . 2]"
1 102 MET 19.403 0.899 10 12 "[* ***- *+* * *** 2]"
1 103 ARG 2.219 0.221 5 0 "[ . 1 . 2]"
1 104 SER 2.716 0.139 3 0 "[ . 1 . 2]"
1 105 LEU 3.811 0.703 1 1 "[+ . 1 . 2]"
1 106 LYS 5.143 0.173 16 0 "[ . 1 . 2]"
1 107 ALA 1.476 0.382 18 0 "[ . 1 . 2]"
1 108 PRO 26.261 2.312 19 9 "[ *.*** -** . *+2]"
1 109 ALA 5.449 0.913 3 2 "[ + . 1 - . 2]"
1 110 VAL 2.392 0.134 3 0 "[ . 1 . 2]"
1 111 VAL 4.385 0.320 18 0 "[ . 1 . 2]"
1 112 SER 1.915 0.320 18 0 "[ . 1 . 2]"
1 113 VAL 4.946 0.295 2 0 "[ . 1 . 2]"
1 114 SER 6.888 0.546 1 2 "[+ . - 1 . 2]"
1 115 SER 10.140 0.546 1 2 "[+ . - 1 . 2]"
1 116 PRO 7.978 0.771 2 2 "[ + - 1 . 2]"
1 117 ASP 3.366 0.182 2 0 "[ . 1 . 2]"
1 118 ALA 25.624 1.121 1 20 [+*************-*****]
1 119 VAL 5.643 0.757 5 2 "[ - + 1 . 2]"
1 120 THR 26.122 1.121 1 20 [+*************-*****]
1 121 THR 1.058 0.127 10 0 "[ . 1 . 2]"
1 122 TYR 15.882 0.154 19 0 "[ . 1 . 2]"
1 123 ASN 15.857 0.865 17 7 "[ * **- *1 .*+ 2]"
1 124 GLY 1.806 0.097 1 0 "[ . 1 . 2]"
1 125 TYR 16.301 0.977 3 4 "[ *+ . *- . 2]"
1 126 LEU 6.189 0.397 9 0 "[ . 1 . 2]"
1 127 THR 3.510 0.175 4 0 "[ . 1 . 2]"
1 128 SER 3.702 0.403 4 0 "[ . 1 . 2]"
1 129 SER 2.535 0.403 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HA 1 3 HIS HB3 . . 2.900 2.749 2.244 3.027 0.127 17 0 "[ . 1 . 2]" 1
2 1 3 HIS HA 1 3 HIS HD2 . . 3.820 2.652 2.094 3.946 0.126 13 0 "[ . 1 . 2]" 1
3 1 3 HIS HA 1 4 MET H . . 3.440 2.523 2.150 3.546 0.106 15 0 "[ . 1 . 2]" 1
4 1 3 HIS HB3 1 4 MET H . . 5.200 3.078 2.093 4.575 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET H 1 4 MET HG2 . . 4.420 4.423 2.956 4.827 0.407 4 0 "[ . 1 . 2]" 1
6 1 4 MET H 1 4 MET HG3 . . 4.790 4.151 2.773 4.740 . 0 0 "[ . 1 . 2]" 1
7 1 4 MET H 1 5 GLY H . . 4.320 4.243 3.249 4.371 0.051 15 0 "[ . 1 . 2]" 1
8 1 4 MET HA 1 4 MET ME . . 4.720 3.814 2.221 4.602 . 0 0 "[ . 1 . 2]" 1
9 1 4 MET HA 1 4 MET HG2 . . 4.310 3.447 2.565 4.269 . 0 0 "[ . 1 . 2]" 1
10 1 4 MET HA 1 4 MET HG3 . . 3.610 2.648 2.056 4.240 0.630 2 1 "[ + . 1 . 2]" 1
11 1 4 MET HA 1 5 GLY H . . 3.440 2.430 2.065 2.873 . 0 0 "[ . 1 . 2]" 1
12 1 4 MET HA 1 110 VAL MG2 . . 4.280 2.258 1.975 2.995 . 0 0 "[ . 1 . 2]" 1
13 1 4 MET HB2 1 5 GLY H . . 4.670 3.752 2.119 4.677 0.007 8 0 "[ . 1 . 2]" 1
14 1 4 MET HB2 1 110 VAL MG2 . . 4.710 3.946 2.103 4.636 . 0 0 "[ . 1 . 2]" 1
15 1 4 MET HB3 1 5 GLY H . . 4.590 3.187 1.937 4.194 . 0 0 "[ . 1 . 2]" 1
16 1 4 MET HB3 1 110 VAL MG2 . . 4.670 3.740 2.379 4.786 0.116 20 0 "[ . 1 . 2]" 1
17 1 4 MET ME 1 108 PRO HA . . 4.620 4.776 2.660 6.599 1.979 12 7 "[ *.* * *-+ . * 2]" 1
18 1 4 MET ME 1 108 PRO QB . . 2.930 3.050 2.048 5.242 2.312 19 8 "[ *.*** - * . *+2]" 1
19 1 4 MET ME 1 108 PRO QD . . 5.220 5.193 4.183 6.960 1.740 12 6 "[ *.**- 1 + . *2]" 1
20 1 4 MET HG2 1 109 ALA H . . 4.560 3.411 2.233 4.412 . 0 0 "[ . 1 . 2]" 1
21 1 4 MET HG3 1 109 ALA H . . 4.860 4.078 2.476 4.678 . 0 0 "[ . 1 . 2]" 1
22 1 4 MET HG3 1 109 ALA MB . . 5.500 5.164 4.215 6.026 0.526 12 1 "[ . 1 + . 2]" 1
23 1 5 GLY H 1 110 VAL HA . . 4.090 2.686 2.219 3.901 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLY H 1 110 VAL MG1 . . 5.500 3.963 3.219 4.790 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLY H 1 110 VAL MG2 . . 5.340 2.774 2.112 3.503 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLY HA2 1 6 THR H . . 3.270 2.650 2.310 2.847 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLY HA2 1 110 VAL HA . . 4.300 4.119 3.527 4.426 0.126 19 0 "[ . 1 . 2]" 1
28 1 5 GLY HA2 1 110 VAL MG2 . . 5.190 4.791 4.482 5.287 0.097 3 0 "[ . 1 . 2]" 1
29 1 5 GLY HA3 1 6 THR H . . 3.260 2.588 2.369 3.050 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLY HA3 1 110 VAL MG2 . . 5.370 4.900 4.323 5.479 0.109 17 0 "[ . 1 . 2]" 1
31 1 6 THR H 1 6 THR HB . . 2.830 2.648 2.449 2.849 0.019 17 0 "[ . 1 . 2]" 1
32 1 6 THR H 1 6 THR MG . . 4.320 3.688 3.601 3.816 . 0 0 "[ . 1 . 2]" 1
33 1 6 THR H 1 7 VAL H . . 4.660 4.627 4.535 4.676 0.016 7 0 "[ . 1 . 2]" 1
34 1 6 THR H 1 7 VAL MG1 . . 5.080 4.548 4.149 4.839 . 0 0 "[ . 1 . 2]" 1
35 1 6 THR H 1 111 VAL H . . 5.500 4.342 4.045 4.712 . 0 0 "[ . 1 . 2]" 1
36 1 6 THR H 1 119 VAL QG . . 4.990 4.220 3.712 4.566 . 0 0 "[ . 1 . 2]" 1
37 1 6 THR H 1 123 ASN HD21 . . 5.260 5.497 4.175 6.125 0.865 17 7 "[ * **- *1 .*+ 2]" 1
38 1 6 THR H 1 123 ASN HD22 . . 4.900 4.083 3.042 4.791 . 0 0 "[ . 1 . 2]" 1
39 1 6 THR HA 1 6 THR MG . . 3.150 2.364 2.275 2.461 . 0 0 "[ . 1 . 2]" 1
40 1 6 THR HA 1 7 VAL H . . 2.760 2.260 2.172 2.349 . 0 0 "[ . 1 . 2]" 1
41 1 6 THR HA 1 7 VAL HA . . 4.610 4.548 4.509 4.602 . 0 0 "[ . 1 . 2]" 1
42 1 6 THR HA 1 7 VAL MG1 . . 4.630 3.706 3.490 3.998 . 0 0 "[ . 1 . 2]" 1
43 1 6 THR HA 1 7 VAL MG2 . . 4.370 3.687 3.442 3.875 . 0 0 "[ . 1 . 2]" 1
44 1 6 THR HA 1 111 VAL H . . 3.590 2.488 2.037 2.885 . 0 0 "[ . 1 . 2]" 1
45 1 6 THR HA 1 111 VAL HA . . 4.470 4.423 4.063 4.595 0.125 7 0 "[ . 1 . 2]" 1
46 1 6 THR HA 1 111 VAL HB . . 3.620 2.756 2.110 3.757 0.137 16 0 "[ . 1 . 2]" 1
47 1 6 THR HA 1 111 VAL QG . . 5.030 2.964 1.840 3.720 . 0 0 "[ . 1 . 2]" 1
48 1 6 THR HA 1 112 SER HA . . 5.170 4.334 3.714 5.217 0.047 12 0 "[ . 1 . 2]" 1
49 1 6 THR HA 1 119 VAL QG . . 4.940 3.958 3.789 4.166 . 0 0 "[ . 1 . 2]" 1
50 1 6 THR HB 1 7 VAL H . . 4.520 3.921 3.702 4.112 . 0 0 "[ . 1 . 2]" 1
51 1 6 THR HB 1 119 VAL HA . . 4.960 3.849 3.498 4.461 . 0 0 "[ . 1 . 2]" 1
52 1 6 THR HB 1 119 VAL QG . . 3.270 2.258 2.070 2.494 . 0 0 "[ . 1 . 2]" 1
53 1 6 THR HB 1 122 TYR QD . . 4.360 3.723 3.178 4.354 . 0 0 "[ . 1 . 2]" 1
54 1 6 THR HB 1 123 ASN HA . . 4.950 5.001 4.533 5.087 0.137 10 0 "[ . 1 . 2]" 1
55 1 6 THR HB 1 123 ASN HD21 . . 4.210 3.815 2.806 4.288 0.078 16 0 "[ . 1 . 2]" 1
56 1 6 THR HB 1 123 ASN HD22 . . 3.680 2.378 1.820 2.951 . 0 0 "[ . 1 . 2]" 1
57 1 6 THR MG 1 7 VAL H . . 3.300 2.492 2.313 2.812 . 0 0 "[ . 1 . 2]" 1
58 1 6 THR MG 1 7 VAL MG2 . . 4.910 4.137 3.909 4.432 . 0 0 "[ . 1 . 2]" 1
59 1 6 THR MG 1 111 VAL HB . . 4.160 2.692 2.091 4.305 0.145 12 0 "[ . 1 . 2]" 1
60 1 6 THR MG 1 112 SER HA . . 5.280 3.510 2.531 4.361 . 0 0 "[ . 1 . 2]" 1
61 1 6 THR MG 1 113 VAL H . . 5.090 3.582 2.933 4.338 . 0 0 "[ . 1 . 2]" 1
62 1 6 THR MG 1 113 VAL MG1 . . 3.880 2.614 2.140 3.715 . 0 0 "[ . 1 . 2]" 1
63 1 6 THR MG 1 113 VAL MG2 . . 3.580 2.412 2.124 3.143 . 0 0 "[ . 1 . 2]" 1
64 1 6 THR MG 1 119 VAL H . . 5.500 4.753 4.484 5.089 . 0 0 "[ . 1 . 2]" 1
65 1 6 THR MG 1 119 VAL HA . . 3.330 2.501 2.198 2.881 . 0 0 "[ . 1 . 2]" 1
66 1 6 THR MG 1 119 VAL HB . . 5.490 4.479 4.198 4.693 . 0 0 "[ . 1 . 2]" 1
67 1 6 THR MG 1 119 VAL QG . . 3.190 2.167 1.877 2.375 . 0 0 "[ . 1 . 2]" 1
68 1 6 THR MG 1 122 TYR HB2 . . 4.910 3.463 2.821 4.358 . 0 0 "[ . 1 . 2]" 1
69 1 6 THR MG 1 122 TYR HB3 . . 4.560 2.384 2.038 3.226 . 0 0 "[ . 1 . 2]" 1
70 1 6 THR MG 1 122 TYR QD . . 2.560 2.532 2.148 2.710 0.150 18 0 "[ . 1 . 2]" 1
71 1 6 THR MG 1 122 TYR QE . . 4.430 3.496 2.494 3.762 . 0 0 "[ . 1 . 2]" 1
72 1 6 THR MG 1 123 ASN H . . 4.930 3.826 3.510 4.417 . 0 0 "[ . 1 . 2]" 1
73 1 6 THR MG 1 123 ASN HD21 . . 5.500 4.439 2.947 5.117 . 0 0 "[ . 1 . 2]" 1
74 1 6 THR MG 1 123 ASN HD22 . . 5.500 3.627 3.000 4.325 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL H 1 7 VAL MG1 . . 4.410 3.082 2.840 3.220 . 0 0 "[ . 1 . 2]" 1
76 1 7 VAL H 1 7 VAL MG2 . . 3.260 2.318 2.176 2.447 . 0 0 "[ . 1 . 2]" 1
77 1 7 VAL H 1 8 SER H . . 5.060 4.389 4.311 4.499 . 0 0 "[ . 1 . 2]" 1
78 1 7 VAL H 1 110 VAL MG1 . . 4.670 3.740 3.156 4.352 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL H 1 111 VAL H . . 4.710 3.655 2.709 4.604 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL H 1 111 VAL HB . . 4.740 4.153 3.566 4.890 0.150 17 0 "[ . 1 . 2]" 1
81 1 7 VAL H 1 111 VAL QG . . 5.050 4.093 3.261 4.557 . 0 0 "[ . 1 . 2]" 1
82 1 7 VAL H 1 112 SER HA . . 3.600 2.720 2.296 3.304 . 0 0 "[ . 1 . 2]" 1
83 1 7 VAL H 1 113 VAL H . . 4.680 3.916 3.172 4.667 . 0 0 "[ . 1 . 2]" 1
84 1 7 VAL H 1 113 VAL MG2 . . 5.300 3.864 3.288 4.270 . 0 0 "[ . 1 . 2]" 1
85 1 7 VAL H 1 119 VAL QG . . 4.930 3.329 3.114 3.516 . 0 0 "[ . 1 . 2]" 1
86 1 7 VAL HA 1 7 VAL HB . . 2.870 2.442 2.383 2.495 . 0 0 "[ . 1 . 2]" 1
87 1 7 VAL HA 1 7 VAL MG1 . . 3.080 2.400 2.333 2.450 . 0 0 "[ . 1 . 2]" 1
88 1 7 VAL HA 1 8 SER H . . 2.890 2.642 2.559 2.741 . 0 0 "[ . 1 . 2]" 1
89 1 7 VAL HA 1 9 TRP H . . 5.500 4.912 4.328 5.534 0.034 12 0 "[ . 1 . 2]" 1
90 1 7 VAL HA 1 9 TRP HE1 . . 5.080 5.075 4.712 5.191 0.111 19 0 "[ . 1 . 2]" 1
91 1 7 VAL HA 1 119 VAL QG . . 3.780 2.638 2.357 2.847 . 0 0 "[ . 1 . 2]" 1
92 1 7 VAL HB 1 8 SER H . . 2.950 2.180 2.044 2.330 . 0 0 "[ . 1 . 2]" 1
93 1 7 VAL HB 1 9 TRP H . . 4.930 3.616 2.859 4.410 . 0 0 "[ . 1 . 2]" 1
94 1 7 VAL HB 1 9 TRP HD1 . . 3.360 3.284 3.019 3.459 0.099 11 0 "[ . 1 . 2]" 1
95 1 7 VAL HB 1 9 TRP HE1 . . 3.920 2.956 2.675 3.169 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL MG1 1 8 SER H . . 3.870 3.715 3.615 3.847 . 0 0 "[ . 1 . 2]" 1
97 1 7 VAL MG1 1 9 TRP HE1 . . 4.450 3.180 2.820 3.492 . 0 0 "[ . 1 . 2]" 1
98 1 7 VAL MG1 1 9 TRP HH2 . . 3.940 3.927 3.677 4.052 0.112 20 0 "[ . 1 . 2]" 1
99 1 7 VAL MG1 1 9 TRP HZ2 . . 3.170 2.746 2.466 3.012 . 0 0 "[ . 1 . 2]" 1
100 1 7 VAL MG1 1 110 VAL MG1 . . 3.390 2.307 2.085 2.725 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL MG2 1 8 SER H . . 3.970 3.061 2.828 3.344 . 0 0 "[ . 1 . 2]" 1
102 1 7 VAL MG2 1 9 TRP H . . 4.090 2.298 1.877 3.007 . 0 0 "[ . 1 . 2]" 1
103 1 7 VAL MG2 1 9 TRP HB2 . . 4.440 2.925 2.639 3.546 . 0 0 "[ . 1 . 2]" 1
104 1 7 VAL MG2 1 9 TRP HB3 . . 5.200 4.079 3.838 4.401 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL MG2 1 9 TRP HD1 . . 3.590 3.621 3.466 3.702 0.112 7 0 "[ . 1 . 2]" 1
106 1 7 VAL MG2 1 9 TRP HE1 . . 4.960 3.665 3.458 3.858 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL MG2 1 9 TRP HE3 . . 3.400 3.359 3.174 3.497 0.097 17 0 "[ . 1 . 2]" 1
108 1 7 VAL MG2 1 9 TRP HH2 . . 4.080 4.112 3.708 4.217 0.137 16 0 "[ . 1 . 2]" 1
109 1 7 VAL MG2 1 9 TRP HZ2 . . 3.810 3.715 3.384 3.903 0.093 19 0 "[ . 1 . 2]" 1
110 1 7 VAL MG2 1 9 TRP HZ3 . . 4.020 3.996 3.623 4.144 0.124 18 0 "[ . 1 . 2]" 1
111 1 7 VAL MG2 1 110 VAL MG1 . . 3.320 1.972 1.888 2.086 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL MG2 1 110 VAL MG2 . . 4.410 3.776 3.121 4.110 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL MG2 1 111 VAL H . . 5.350 3.613 2.682 4.486 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL MG2 1 112 SER H . . 5.370 4.162 3.425 4.748 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL MG2 1 112 SER HA . . 3.410 2.706 2.247 3.347 . 0 0 "[ . 1 . 2]" 1
116 1 7 VAL MG2 1 112 SER QB . . 3.790 2.747 2.285 3.576 . 0 0 "[ . 1 . 2]" 1
117 1 7 VAL MG2 1 113 VAL H . . 4.810 4.135 3.780 4.481 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL MG2 1 113 VAL MG2 . . 5.500 4.663 4.368 5.143 . 0 0 "[ . 1 . 2]" 1
119 1 8 SER H 1 8 SER HB2 . . 3.630 3.695 3.333 3.846 0.216 14 0 "[ . 1 . 2]" 1
120 1 8 SER H 1 8 SER HB3 . . 3.920 3.308 2.833 3.591 . 0 0 "[ . 1 . 2]" 1
121 1 8 SER H 1 9 TRP H . . 4.190 3.043 2.429 3.572 . 0 0 "[ . 1 . 2]" 1
122 1 8 SER H 1 9 TRP HD1 . . 3.400 3.218 2.899 3.411 0.011 7 0 "[ . 1 . 2]" 1
123 1 8 SER H 1 9 TRP HE1 . . 5.090 4.145 3.678 4.575 . 0 0 "[ . 1 . 2]" 1
124 1 8 SER H 1 119 VAL QG . . 4.200 3.331 3.123 3.610 . 0 0 "[ . 1 . 2]" 1
125 1 8 SER HA 1 9 TRP H . . 2.980 2.614 2.278 3.089 0.109 3 0 "[ . 1 . 2]" 1
126 1 8 SER HA 1 113 VAL H . . 3.390 2.812 2.303 3.404 0.014 11 0 "[ . 1 . 2]" 1
127 1 8 SER HA 1 113 VAL MG2 . . 4.480 3.077 2.564 3.925 . 0 0 "[ . 1 . 2]" 1
128 1 8 SER HA 1 119 VAL QG . . 4.760 3.347 3.066 3.738 . 0 0 "[ . 1 . 2]" 1
129 1 8 SER HB2 1 9 TRP H . . 4.770 4.417 4.176 4.634 . 0 0 "[ . 1 . 2]" 1
130 1 8 SER HB2 1 113 VAL MG2 . . 4.790 3.847 2.186 4.824 0.034 16 0 "[ . 1 . 2]" 1
131 1 8 SER HB2 1 115 SER H . . 5.030 4.423 3.850 5.039 0.009 16 0 "[ . 1 . 2]" 1
132 1 8 SER HB2 1 116 PRO HA . . 3.590 3.322 2.408 3.698 0.108 4 0 "[ . 1 . 2]" 1
133 1 8 SER HB2 1 116 PRO HB3 . . 4.920 3.865 3.318 4.794 . 0 0 "[ . 1 . 2]" 1
134 1 8 SER HB2 1 116 PRO HD2 . . 5.260 4.516 4.000 5.577 0.317 2 0 "[ . 1 . 2]" 1
135 1 8 SER HB2 1 116 PRO HG3 . . 4.830 4.546 2.582 5.601 0.771 2 2 "[ + - 1 . 2]" 1
136 1 8 SER HB2 1 119 VAL QG . . 3.710 3.435 2.044 3.688 . 0 0 "[ . 1 . 2]" 1
137 1 8 SER HB3 1 9 TRP H . . 4.840 4.609 4.467 4.752 . 0 0 "[ . 1 . 2]" 1
138 1 8 SER HB3 1 113 VAL H . . 5.000 4.299 3.597 5.295 0.295 2 0 "[ . 1 . 2]" 1
139 1 8 SER HB3 1 113 VAL MG2 . . 4.470 2.982 2.434 3.757 . 0 0 "[ . 1 . 2]" 1
140 1 8 SER HB3 1 115 SER H . . 4.960 4.261 3.707 5.048 0.088 2 0 "[ . 1 . 2]" 1
141 1 8 SER HB3 1 115 SER HA . . 4.550 4.095 3.423 4.810 0.260 2 0 "[ . 1 . 2]" 1
142 1 8 SER HB3 1 116 PRO HA . . 3.590 2.465 2.110 2.803 . 0 0 "[ . 1 . 2]" 1
143 1 8 SER HB3 1 116 PRO HB3 . . 4.730 3.651 2.608 4.087 . 0 0 "[ . 1 . 2]" 1
144 1 8 SER HB3 1 116 PRO HD3 . . 5.060 3.762 2.869 4.268 . 0 0 "[ . 1 . 2]" 1
145 1 8 SER HB3 1 119 VAL H . . 4.600 4.486 4.000 5.357 0.757 5 2 "[ - + 1 . 2]" 1
146 1 8 SER HB3 1 119 VAL QG . . 3.850 2.284 2.035 3.316 . 0 0 "[ . 1 . 2]" 1
147 1 9 TRP H 1 9 TRP HB2 . . 3.740 2.541 2.352 3.066 . 0 0 "[ . 1 . 2]" 1
148 1 9 TRP H 1 9 TRP HD1 . . 3.580 3.348 2.898 3.665 0.085 1 0 "[ . 1 . 2]" 1
149 1 9 TRP H 1 9 TRP HE3 . . 5.500 4.934 4.555 5.403 . 0 0 "[ . 1 . 2]" 1
150 1 9 TRP H 1 10 ASN H . . 4.880 4.542 4.263 4.727 . 0 0 "[ . 1 . 2]" 1
151 1 9 TRP H 1 14 MET HG2 . . 5.500 5.199 4.616 5.575 0.075 8 0 "[ . 1 . 2]" 1
152 1 9 TRP H 1 112 SER HA . . 5.020 3.690 2.796 4.713 . 0 0 "[ . 1 . 2]" 1
153 1 9 TRP H 1 112 SER QB . . 4.470 3.368 2.420 4.160 . 0 0 "[ . 1 . 2]" 1
154 1 9 TRP H 1 113 VAL H . . 4.490 4.248 3.483 4.530 0.040 14 0 "[ . 1 . 2]" 1
155 1 9 TRP H 1 113 VAL MG2 . . 5.500 5.036 4.541 5.575 0.075 16 0 "[ . 1 . 2]" 1
156 1 9 TRP HA 1 9 TRP HD1 . . 2.510 2.454 2.294 2.617 0.107 14 0 "[ . 1 . 2]" 1
157 1 9 TRP HA 1 9 TRP HE1 . . 4.890 4.907 4.755 5.095 0.205 14 0 "[ . 1 . 2]" 1
158 1 9 TRP HA 1 10 ASN H . . 2.840 2.419 2.244 2.801 . 0 0 "[ . 1 . 2]" 1
159 1 9 TRP HA 1 13 GLU HB2 . . 3.940 3.632 3.276 4.038 0.098 2 0 "[ . 1 . 2]" 1
160 1 9 TRP HA 1 13 GLU HB3 . . 4.580 4.138 3.770 4.445 . 0 0 "[ . 1 . 2]" 1
161 1 9 TRP HA 1 14 MET H . . 5.470 5.414 5.120 5.506 0.036 14 0 "[ . 1 . 2]" 1
162 1 9 TRP HB2 1 9 TRP HE3 . . 3.140 2.759 2.562 2.933 . 0 0 "[ . 1 . 2]" 1
163 1 9 TRP HB2 1 10 ASN H . . 4.290 3.548 2.775 3.955 . 0 0 "[ . 1 . 2]" 1
164 1 9 TRP HB2 1 13 GLU HB2 . . 4.200 3.838 3.386 4.109 . 0 0 "[ . 1 . 2]" 1
165 1 9 TRP HB2 1 13 GLU HB3 . . 4.550 3.862 2.864 4.241 . 0 0 "[ . 1 . 2]" 1
166 1 9 TRP HB2 1 14 MET H . . 5.270 3.946 3.218 4.199 . 0 0 "[ . 1 . 2]" 1
167 1 9 TRP HB3 1 9 TRP HD1 . . 3.820 3.494 3.090 3.601 . 0 0 "[ . 1 . 2]" 1
168 1 9 TRP HB3 1 10 ASN H . . 3.920 2.472 1.952 2.905 . 0 0 "[ . 1 . 2]" 1
169 1 9 TRP HB3 1 13 GLU H . . 5.010 4.163 3.829 4.553 . 0 0 "[ . 1 . 2]" 1
170 1 9 TRP HB3 1 13 GLU HB2 . . 3.600 2.270 2.073 2.588 . 0 0 "[ . 1 . 2]" 1
171 1 9 TRP HB3 1 13 GLU HB3 . . 4.140 2.363 2.102 2.738 . 0 0 "[ . 1 . 2]" 1
172 1 9 TRP HB3 1 13 GLU HG3 . . 5.190 3.924 3.037 4.529 . 0 0 "[ . 1 . 2]" 1
173 1 9 TRP HB3 1 14 MET H . . 4.840 3.275 2.979 3.797 . 0 0 "[ . 1 . 2]" 1
174 1 9 TRP HE3 1 14 MET H . . 4.010 3.826 3.403 4.117 0.107 13 0 "[ . 1 . 2]" 1
175 1 9 TRP HE3 1 14 MET HA . . 2.780 2.546 2.215 2.873 0.093 20 0 "[ . 1 . 2]" 1
176 1 9 TRP HE3 1 14 MET ME . . 3.930 3.935 3.175 4.077 0.147 19 0 "[ . 1 . 2]" 1
177 1 9 TRP HE3 1 14 MET HG2 . . 2.820 2.364 2.067 2.708 . 0 0 "[ . 1 . 2]" 1
178 1 9 TRP HE3 1 14 MET HG3 . . 3.510 3.050 2.242 3.616 0.106 19 0 "[ . 1 . 2]" 1
179 1 9 TRP HE3 1 17 HIS H . . 5.500 5.401 4.898 5.570 0.070 19 0 "[ . 1 . 2]" 1
180 1 9 TRP HE3 1 82 VAL QG . . 3.190 2.910 2.482 3.225 0.035 17 0 "[ . 1 . 2]" 1
181 1 9 TRP HE3 1 110 VAL MG1 . . 3.770 3.523 3.089 3.871 0.101 14 0 "[ . 1 . 2]" 1
182 1 9 TRP HH2 1 17 HIS QB . . 5.380 4.332 3.798 4.791 . 0 0 "[ . 1 . 2]" 1
183 1 9 TRP HH2 1 110 VAL MG1 . . 3.430 2.961 2.363 3.529 0.099 5 0 "[ . 1 . 2]" 1
184 1 9 TRP HH2 1 110 VAL MG2 . . 3.920 2.923 2.352 3.410 . 0 0 "[ . 1 . 2]" 1
185 1 9 TRP HZ2 1 110 VAL MG1 . . 4.310 3.835 3.286 4.315 0.005 5 0 "[ . 1 . 2]" 1
186 1 9 TRP HZ3 1 14 MET HA . . 3.830 3.474 3.023 3.769 . 0 0 "[ . 1 . 2]" 1
187 1 9 TRP HZ3 1 17 HIS H . . 5.500 5.381 4.886 5.567 0.067 19 0 "[ . 1 . 2]" 1
188 1 9 TRP HZ3 1 17 HIS QB . . 3.500 2.863 2.518 3.057 . 0 0 "[ . 1 . 2]" 1
189 1 9 TRP HZ3 1 82 VAL HB . . 4.070 3.773 3.164 4.189 0.119 9 0 "[ . 1 . 2]" 1
190 1 9 TRP HZ3 1 82 VAL QG . . 2.970 2.106 1.948 2.349 . 0 0 "[ . 1 . 2]" 1
191 1 9 TRP HZ3 1 110 VAL MG1 . . 3.230 2.809 2.310 3.339 0.109 20 0 "[ . 1 . 2]" 1
192 1 10 ASN H 1 10 ASN HB2 . . 4.080 3.386 2.348 3.954 . 0 0 "[ . 1 . 2]" 1
193 1 10 ASN H 1 10 ASN HB3 . . 3.720 3.195 2.122 3.815 0.095 11 0 "[ . 1 . 2]" 1
194 1 10 ASN H 1 10 ASN QD . . 4.870 3.466 2.171 4.247 . 0 0 "[ . 1 . 2]" 1
195 1 10 ASN H 1 11 LEU H . . 5.190 4.477 4.334 4.650 . 0 0 "[ . 1 . 2]" 1
196 1 10 ASN H 1 12 ARG H . . 5.500 4.737 4.317 5.163 . 0 0 "[ . 1 . 2]" 1
197 1 10 ASN H 1 13 GLU H . . 4.400 3.331 3.107 3.508 . 0 0 "[ . 1 . 2]" 1
198 1 10 ASN H 1 13 GLU HA . . 4.910 5.040 5.027 5.055 0.145 19 0 "[ . 1 . 2]" 1
199 1 10 ASN H 1 13 GLU HB2 . . 3.440 2.156 2.032 2.300 . 0 0 "[ . 1 . 2]" 1
200 1 10 ASN H 1 13 GLU HB3 . . 4.040 3.543 3.216 3.726 . 0 0 "[ . 1 . 2]" 1
201 1 10 ASN H 1 13 GLU HG2 . . 4.920 4.434 3.710 4.984 0.064 8 0 "[ . 1 . 2]" 1
202 1 10 ASN H 1 13 GLU HG3 . . 4.830 3.283 2.842 3.771 . 0 0 "[ . 1 . 2]" 1
203 1 10 ASN H 1 14 MET H . . 5.170 3.901 3.233 4.292 . 0 0 "[ . 1 . 2]" 1
204 1 10 ASN HA 1 11 LEU H . . 3.260 2.433 2.309 2.661 . 0 0 "[ . 1 . 2]" 1
205 1 10 ASN HB2 1 11 LEU H . . 3.500 2.741 2.076 3.966 0.466 13 0 "[ . 1 . 2]" 1
206 1 10 ASN HB2 1 12 ARG H . . 4.350 3.110 2.105 4.757 0.407 13 0 "[ . 1 . 2]" 1
207 1 10 ASN HB2 1 13 GLU H . . 4.770 3.756 1.858 4.808 0.038 17 0 "[ . 1 . 2]" 1
208 1 10 ASN HB3 1 11 LEU H . . 3.960 3.387 2.315 3.877 . 0 0 "[ . 1 . 2]" 1
209 1 10 ASN HB3 1 12 ARG H . . 4.630 3.985 1.776 4.753 0.123 16 0 "[ . 1 . 2]" 1
210 1 10 ASN QD 1 12 ARG H . . 5.500 3.442 1.929 4.627 . 0 0 "[ . 1 . 2]" 1
211 1 10 ASN QD 1 12 ARG QB . . 5.250 2.884 1.892 4.024 . 0 0 "[ . 1 . 2]" 1
212 1 10 ASN QD 1 13 GLU H . . 5.500 3.294 2.216 4.354 . 0 0 "[ . 1 . 2]" 1
213 1 10 ASN QD 1 13 GLU HG2 . . 5.220 4.075 2.042 5.526 0.306 11 0 "[ . 1 . 2]" 1
214 1 10 ASN QD 1 13 GLU HG3 . . 5.090 3.361 2.276 4.318 . 0 0 "[ . 1 . 2]" 1
215 1 11 LEU H 1 11 LEU HB2 . . 3.520 2.242 2.097 2.494 . 0 0 "[ . 1 . 2]" 1
216 1 11 LEU H 1 11 LEU HB3 . . 3.370 2.922 2.353 3.540 0.170 8 0 "[ . 1 . 2]" 1
217 1 11 LEU H 1 11 LEU QD . . 4.730 3.293 2.161 3.796 . 0 0 "[ . 1 . 2]" 1
218 1 11 LEU H 1 12 ARG H . . 3.690 2.880 2.563 3.033 . 0 0 "[ . 1 . 2]" 1
219 1 11 LEU HA 1 11 LEU QD . . 3.000 2.124 1.897 2.567 . 0 0 "[ . 1 . 2]" 1
220 1 11 LEU HA 1 14 MET H . . 4.070 3.597 3.292 3.909 . 0 0 "[ . 1 . 2]" 1
221 1 11 LEU HA 1 14 MET HB2 . . 3.480 2.590 2.094 3.110 . 0 0 "[ . 1 . 2]" 1
222 1 11 LEU HA 1 14 MET HG2 . . 5.030 4.879 4.426 5.137 0.107 12 0 "[ . 1 . 2]" 1
223 1 11 LEU HA 1 14 MET HG3 . . 4.360 3.657 3.183 4.240 . 0 0 "[ . 1 . 2]" 1
224 1 11 LEU HB2 1 11 LEU QD . . 3.190 2.373 2.235 2.483 . 0 0 "[ . 1 . 2]" 1
225 1 11 LEU HB2 1 12 ARG H . . 3.950 3.647 3.065 4.073 0.123 18 0 "[ . 1 . 2]" 1
226 1 11 LEU QD 1 12 ARG H . . 4.880 3.665 2.725 4.216 . 0 0 "[ . 1 . 2]" 1
227 1 11 LEU QD 1 14 MET H . . 5.030 4.404 4.203 4.632 . 0 0 "[ . 1 . 2]" 1
228 1 11 LEU QD 1 14 MET HB2 . . 3.970 3.048 2.576 3.492 . 0 0 "[ . 1 . 2]" 1
229 1 11 LEU QD 1 15 LEU H . . 4.300 3.544 3.086 4.301 0.001 8 0 "[ . 1 . 2]" 1
230 1 11 LEU QD 1 15 LEU QD . . 4.070 2.409 1.848 3.717 . 0 0 "[ . 1 . 2]" 1
231 1 11 LEU QD 1 37 THR H . . 5.070 5.631 5.070 6.567 1.497 16 9 "[ ***** 1 -+** 2]" 1
232 1 11 LEU QD 1 37 THR HB . . 5.380 4.084 3.563 4.998 . 0 0 "[ . 1 . 2]" 1
233 1 12 ARG H 1 12 ARG QB . . 2.770 2.535 1.916 2.841 0.071 16 0 "[ . 1 . 2]" 1
234 1 12 ARG H 1 12 ARG QD . . 4.400 3.875 3.369 4.186 . 0 0 "[ . 1 . 2]" 1
235 1 12 ARG H 1 12 ARG HG2 . . 3.370 2.878 2.133 3.908 0.538 17 1 "[ . 1 . + 2]" 1
236 1 12 ARG H 1 12 ARG HG3 . . 4.290 2.870 1.910 4.242 . 0 0 "[ . 1 . 2]" 1
237 1 12 ARG H 1 13 GLU H . . 3.260 2.753 2.460 3.038 . 0 0 "[ . 1 . 2]" 1
238 1 12 ARG H 1 13 GLU HB2 . . 5.350 4.583 4.267 4.848 . 0 0 "[ . 1 . 2]" 1
239 1 12 ARG H 1 14 MET H . . 4.750 4.248 3.883 4.613 . 0 0 "[ . 1 . 2]" 1
240 1 12 ARG HA 1 12 ARG QD . . 4.250 3.477 2.120 4.333 0.083 11 0 "[ . 1 . 2]" 1
241 1 12 ARG HA 1 12 ARG HG2 . . 3.320 2.982 2.401 3.944 0.624 16 1 "[ . 1 .+ 2]" 1
242 1 12 ARG HA 1 12 ARG HG3 . . 3.820 3.443 2.739 3.920 0.100 9 0 "[ . 1 . 2]" 1
243 1 12 ARG HA 1 15 LEU H . . 3.850 3.595 3.330 3.939 0.089 8 0 "[ . 1 . 2]" 1
244 1 12 ARG HA 1 15 LEU HB2 . . 3.240 2.999 2.491 3.344 0.104 9 0 "[ . 1 . 2]" 1
245 1 12 ARG HA 1 15 LEU QD . . 3.390 3.252 2.348 3.471 0.081 9 0 "[ . 1 . 2]" 1
246 1 12 ARG HA 1 16 ALA H . . 4.440 3.910 3.563 4.219 . 0 0 "[ . 1 . 2]" 1
247 1 12 ARG QB 1 12 ARG QD . . 2.760 2.239 2.047 2.603 . 0 0 "[ . 1 . 2]" 1
248 1 12 ARG QB 1 13 GLU H . . 3.180 2.686 2.245 3.261 0.081 16 0 "[ . 1 . 2]" 1
249 1 12 ARG HG2 1 13 GLU H . . 5.500 4.472 2.805 5.323 . 0 0 "[ . 1 . 2]" 1
250 1 13 GLU H 1 13 GLU HB2 . . 3.000 2.142 2.075 2.330 . 0 0 "[ . 1 . 2]" 1
251 1 13 GLU H 1 13 GLU HB3 . . 3.380 3.415 3.335 3.443 0.063 16 0 "[ . 1 . 2]" 1
252 1 13 GLU H 1 13 GLU HG2 . . 3.820 3.387 2.501 3.922 0.102 10 0 "[ . 1 . 2]" 1
253 1 13 GLU H 1 13 GLU HG3 . . 3.500 3.241 2.095 3.926 0.426 2 0 "[ . 1 . 2]" 1
254 1 13 GLU H 1 14 MET H . . 3.370 2.687 2.495 2.881 . 0 0 "[ . 1 . 2]" 1
255 1 13 GLU HA 1 13 GLU HG2 . . 3.330 2.294 2.053 2.685 . 0 0 "[ . 1 . 2]" 1
256 1 13 GLU HA 1 13 GLU HG3 . . 3.690 3.281 2.736 3.688 . 0 0 "[ . 1 . 2]" 1
257 1 13 GLU HA 1 16 ALA H . . 3.860 3.749 3.408 3.972 0.112 20 0 "[ . 1 . 2]" 1
258 1 13 GLU HA 1 16 ALA MB . . 3.280 2.779 2.436 3.095 . 0 0 "[ . 1 . 2]" 1
259 1 13 GLU HA 1 17 HIS H . . 5.500 3.928 3.574 4.120 . 0 0 "[ . 1 . 2]" 1
260 1 13 GLU HB2 1 14 MET H . . 3.910 2.699 2.411 2.911 . 0 0 "[ . 1 . 2]" 1
261 1 13 GLU HB3 1 14 MET H . . 4.180 3.107 2.577 3.626 . 0 0 "[ . 1 . 2]" 1
262 1 14 MET H 1 14 MET HB2 . . 3.320 2.464 2.279 2.605 . 0 0 "[ . 1 . 2]" 1
263 1 14 MET H 1 14 MET HG2 . . 4.090 3.410 2.316 3.700 . 0 0 "[ . 1 . 2]" 1
264 1 14 MET H 1 14 MET HG3 . . 3.480 2.315 2.090 2.836 . 0 0 "[ . 1 . 2]" 1
265 1 14 MET HA 1 14 MET HB3 . . 3.040 2.533 2.472 2.629 . 0 0 "[ . 1 . 2]" 1
266 1 14 MET HA 1 14 MET ME . . 4.660 4.098 3.698 4.532 . 0 0 "[ . 1 . 2]" 1
267 1 14 MET HA 1 14 MET HG2 . . 3.940 2.474 2.258 2.775 . 0 0 "[ . 1 . 2]" 1
268 1 14 MET HA 1 14 MET HG3 . . 3.950 3.009 2.768 3.659 . 0 0 "[ . 1 . 2]" 1
269 1 14 MET HA 1 17 HIS H . . 3.900 3.623 3.328 3.917 0.017 16 0 "[ . 1 . 2]" 1
270 1 14 MET HA 1 17 HIS QB . . 3.870 2.643 2.314 2.926 . 0 0 "[ . 1 . 2]" 1
271 1 14 MET HA 1 18 ALA H . . 4.300 3.985 3.797 4.211 . 0 0 "[ . 1 . 2]" 1
272 1 14 MET HA 1 82 VAL QG . . 4.060 2.656 2.197 2.959 . 0 0 "[ . 1 . 2]" 1
273 1 14 MET HB2 1 15 LEU H . . 3.480 2.532 2.300 2.782 . 0 0 "[ . 1 . 2]" 1
274 1 14 MET HB2 1 15 LEU HA . . 4.890 4.406 4.180 4.717 . 0 0 "[ . 1 . 2]" 1
275 1 14 MET HB2 1 25 MET ME . . 4.470 2.910 2.209 3.450 . 0 0 "[ . 1 . 2]" 1
276 1 14 MET HB3 1 15 LEU H . . 3.650 3.417 3.105 3.739 0.089 16 0 "[ . 1 . 2]" 1
277 1 14 MET HB3 1 15 LEU HB2 . . 5.130 5.186 4.988 5.250 0.120 7 0 "[ . 1 . 2]" 1
278 1 14 MET HB3 1 15 LEU QD . . 5.190 4.657 4.066 5.112 . 0 0 "[ . 1 . 2]" 1
279 1 14 MET HB3 1 25 MET ME . . 2.760 2.326 2.047 2.726 . 0 0 "[ . 1 . 2]" 1
280 1 14 MET HB3 1 82 VAL QG . . 4.420 2.733 2.261 3.427 . 0 0 "[ . 1 . 2]" 1
281 1 14 MET ME 1 14 MET HG2 . . 2.960 2.344 2.124 3.116 0.156 19 0 "[ . 1 . 2]" 1
282 1 14 MET ME 1 82 VAL QG . . 3.110 2.649 2.035 3.192 0.082 8 0 "[ . 1 . 2]" 1
283 1 14 MET ME 1 83 THR HA . . 3.250 2.370 1.949 2.899 . 0 0 "[ . 1 . 2]" 1
284 1 14 MET ME 1 84 MET H . . 3.580 3.009 2.248 3.668 0.088 14 0 "[ . 1 . 2]" 1
285 1 14 MET ME 1 84 MET HA . . 4.210 3.261 2.666 3.520 . 0 0 "[ . 1 . 2]" 1
286 1 14 MET ME 1 84 MET QG . . 3.660 2.837 1.976 3.655 . 0 0 "[ . 1 . 2]" 1
287 1 14 MET ME 1 112 SER H . . 5.300 3.136 1.986 3.695 . 0 0 "[ . 1 . 2]" 1
288 1 14 MET ME 1 112 SER QB . . 3.430 2.073 1.798 2.653 . 0 0 "[ . 1 . 2]" 1
289 1 14 MET HG2 1 82 VAL QG . . 4.170 2.630 2.086 3.411 . 0 0 "[ . 1 . 2]" 1
290 1 14 MET HG2 1 112 SER QB . . 4.790 3.578 2.883 4.368 . 0 0 "[ . 1 . 2]" 1
291 1 14 MET HG3 1 15 LEU H . . 5.250 4.431 4.287 4.677 . 0 0 "[ . 1 . 2]" 1
292 1 14 MET HG3 1 25 MET ME . . 5.310 4.633 4.027 5.175 . 0 0 "[ . 1 . 2]" 1
293 1 14 MET HG3 1 82 VAL QG . . 3.990 3.918 3.479 4.066 0.076 10 0 "[ . 1 . 2]" 1
294 1 15 LEU H 1 15 LEU HB2 . . 2.890 2.205 2.039 2.376 . 0 0 "[ . 1 . 2]" 1
295 1 15 LEU H 1 15 LEU HB3 . . 3.610 3.159 2.671 3.587 . 0 0 "[ . 1 . 2]" 1
296 1 15 LEU H 1 15 LEU QD . . 4.050 3.394 3.067 3.619 . 0 0 "[ . 1 . 2]" 1
297 1 15 LEU H 1 15 LEU HG . . 3.510 3.729 2.521 4.629 1.119 5 11 "[* *+ *-* *****2]" 1
298 1 15 LEU H 1 16 ALA H . . 3.410 2.772 2.613 2.934 . 0 0 "[ . 1 . 2]" 1
299 1 15 LEU H 1 17 HIS H . . 5.500 4.083 3.855 4.460 . 0 0 "[ . 1 . 2]" 1
300 1 15 LEU H 1 25 MET ME . . 3.570 3.252 2.950 3.671 0.101 12 0 "[ . 1 . 2]" 1
301 1 15 LEU HA 1 15 LEU QD . . 2.930 2.090 2.032 2.156 . 0 0 "[ . 1 . 2]" 1
302 1 15 LEU HA 1 15 LEU HG . . 3.220 2.855 2.450 3.071 . 0 0 "[ . 1 . 2]" 1
303 1 15 LEU HA 1 18 ALA H . . 4.030 3.580 3.324 3.926 . 0 0 "[ . 1 . 2]" 1
304 1 15 LEU HA 1 18 ALA MB . . 3.380 2.848 2.449 3.441 0.061 15 0 "[ . 1 . 2]" 1
305 1 15 LEU HA 1 25 MET ME . . 3.380 2.649 2.051 3.474 0.094 10 0 "[ . 1 . 2]" 1
306 1 15 LEU HA 1 56 VAL QG . . 3.960 3.420 2.979 3.786 . 0 0 "[ . 1 . 2]" 1
307 1 15 LEU HB2 1 16 ALA H . . 3.330 3.074 2.588 3.387 0.057 5 0 "[ . 1 . 2]" 1
308 1 15 LEU HB3 1 15 LEU QD . . 3.100 2.179 2.131 2.290 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU HB3 1 16 ALA H . . 3.840 2.766 2.097 3.582 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU HB3 1 41 LYS QE . . 4.590 4.355 2.935 4.724 0.134 4 0 "[ . 1 . 2]" 1
311 1 15 LEU HB3 1 42 TYR QE . . 5.220 4.462 3.044 5.358 0.138 9 0 "[ . 1 . 2]" 1
312 1 15 LEU HB3 1 56 VAL QG . . 5.160 4.403 3.270 5.052 . 0 0 "[ . 1 . 2]" 1
313 1 15 LEU QD 1 16 ALA H . . 4.790 3.990 3.592 4.326 . 0 0 "[ . 1 . 2]" 1
314 1 15 LEU QD 1 18 ALA H . . 5.230 4.881 4.487 5.145 . 0 0 "[ . 1 . 2]" 1
315 1 15 LEU QD 1 25 MET ME . . 3.050 2.506 2.188 3.081 0.031 4 0 "[ . 1 . 2]" 1
316 1 15 LEU QD 1 38 ILE HA . . 4.430 3.459 2.312 4.068 . 0 0 "[ . 1 . 2]" 1
317 1 15 LEU QD 1 38 ILE HB . . 5.030 4.963 4.210 5.644 0.614 2 4 "[ + . -*1 . * 2]" 1
318 1 15 LEU QD 1 38 ILE QG . . 4.910 2.666 1.993 3.607 . 0 0 "[ . 1 . 2]" 1
319 1 15 LEU QD 1 41 LYS QE . . 4.520 3.235 2.125 4.171 . 0 0 "[ . 1 . 2]" 1
320 1 15 LEU QD 1 42 TYR QD . . 5.050 3.581 3.053 4.044 . 0 0 "[ . 1 . 2]" 1
321 1 15 LEU QD 1 42 TYR QE . . 3.020 2.136 1.915 2.533 . 0 0 "[ . 1 . 2]" 1
322 1 15 LEU QD 1 56 VAL HB . . 5.370 3.961 3.327 4.813 . 0 0 "[ . 1 . 2]" 1
323 1 15 LEU QD 1 56 VAL QG . . 3.620 2.563 2.040 3.300 . 0 0 "[ . 1 . 2]" 1
324 1 15 LEU QD 1 58 PHE QE . . 2.720 2.523 2.116 2.841 0.121 10 0 "[ . 1 . 2]" 1
325 1 15 LEU QD 1 58 PHE HZ . . 2.880 2.571 2.145 2.940 0.060 16 0 "[ . 1 . 2]" 1
326 1 15 LEU HG 1 16 ALA H . . 5.030 4.407 3.657 4.904 . 0 0 "[ . 1 . 2]" 1
327 1 16 ALA H 1 16 ALA MB . . 2.840 2.227 2.181 2.261 . 0 0 "[ . 1 . 2]" 1
328 1 16 ALA H 1 17 HIS QB . . 5.330 4.448 4.306 4.634 . 0 0 "[ . 1 . 2]" 1
329 1 16 ALA H 1 18 ALA H . . 5.190 4.355 3.971 4.628 . 0 0 "[ . 1 . 2]" 1
330 1 16 ALA H 1 19 GLU H . . 5.470 4.748 4.450 5.012 . 0 0 "[ . 1 . 2]" 1
331 1 16 ALA HA 1 19 GLU H . . 3.810 3.434 3.242 3.734 . 0 0 "[ . 1 . 2]" 1
332 1 16 ALA HA 1 19 GLU HB2 . . 3.510 2.502 2.158 3.058 . 0 0 "[ . 1 . 2]" 1
333 1 16 ALA HA 1 19 GLU HB3 . . 3.560 3.452 2.832 3.674 0.114 16 0 "[ . 1 . 2]" 1
334 1 16 ALA HA 1 19 GLU HG2 . . 5.080 5.135 4.604 5.772 0.692 1 3 "[+ . * - . 2]" 1
335 1 16 ALA MB 1 17 HIS H . . 3.610 2.563 2.296 2.899 . 0 0 "[ . 1 . 2]" 1
336 1 16 ALA MB 1 17 HIS HA . . 4.290 3.913 3.754 4.081 . 0 0 "[ . 1 . 2]" 1
337 1 16 ALA MB 1 17 HIS QB . . 5.320 3.892 3.570 4.123 . 0 0 "[ . 1 . 2]" 1
338 1 16 ALA MB 1 19 GLU HB2 . . 4.540 4.122 3.742 4.635 0.095 10 0 "[ . 1 . 2]" 1
339 1 17 HIS H 1 17 HIS QB . . 3.150 2.202 2.057 2.301 . 0 0 "[ . 1 . 2]" 1
340 1 17 HIS H 1 18 ALA H . . 3.320 2.794 2.617 3.075 . 0 0 "[ . 1 . 2]" 1
341 1 17 HIS H 1 19 GLU H . . 5.290 4.199 3.992 4.462 . 0 0 "[ . 1 . 2]" 1
342 1 17 HIS H 1 19 GLU HB2 . . 5.160 4.942 4.612 5.204 0.044 20 0 "[ . 1 . 2]" 1
343 1 17 HIS HA 1 17 HIS HD2 . . 4.240 4.260 3.824 4.612 0.372 18 0 "[ . 1 . 2]" 1
344 1 17 HIS HA 1 20 GLU H . . 4.120 3.603 3.350 3.902 . 0 0 "[ . 1 . 2]" 1
345 1 17 HIS HA 1 20 GLU HB3 . . 3.690 2.852 2.453 3.469 . 0 0 "[ . 1 . 2]" 1
346 1 17 HIS HA 1 21 THR MG . . 4.730 3.569 2.901 4.033 . 0 0 "[ . 1 . 2]" 1
347 1 17 HIS QB 1 17 HIS HD2 . . 3.550 2.561 2.499 2.652 . 0 0 "[ . 1 . 2]" 1
348 1 17 HIS QB 1 18 ALA H . . 3.390 2.379 2.166 2.567 . 0 0 "[ . 1 . 2]" 1
349 1 17 HIS QB 1 21 THR MG . . 4.070 4.433 3.835 4.766 0.696 5 8 "[ **+ -1 ** **2]" 1
350 1 17 HIS QB 1 82 VAL QG . . 4.760 2.530 2.275 2.829 . 0 0 "[ . 1 . 2]" 1
351 1 17 HIS HD2 1 18 ALA H . . 4.140 4.174 3.906 4.260 0.120 17 0 "[ . 1 . 2]" 1
352 1 17 HIS HD2 1 18 ALA HA . . 3.990 4.096 3.671 4.550 0.560 9 1 "[ . +1 . 2]" 1
353 1 17 HIS HD2 1 18 ALA MB . . 5.440 4.460 4.121 4.850 . 0 0 "[ . 1 . 2]" 1
354 1 17 HIS HD2 1 21 THR MG . . 5.060 3.810 2.995 4.710 . 0 0 "[ . 1 . 2]" 1
355 1 17 HIS HD2 1 23 LYS QD . . 4.630 3.548 2.521 4.311 . 0 0 "[ . 1 . 2]" 1
356 1 17 HIS HD2 1 82 VAL HB . . 3.570 3.237 2.685 3.702 0.132 18 0 "[ . 1 . 2]" 1
357 1 17 HIS HD2 1 82 VAL QG . . 2.660 2.402 1.843 2.634 . 0 0 "[ . 1 . 2]" 1
358 1 18 ALA H 1 18 ALA MB . . 3.000 2.244 2.142 2.325 . 0 0 "[ . 1 . 2]" 1
359 1 18 ALA H 1 19 GLU H . . 3.230 2.844 2.638 3.075 . 0 0 "[ . 1 . 2]" 1
360 1 18 ALA H 1 19 GLU HB2 . . 4.830 4.577 4.394 4.767 . 0 0 "[ . 1 . 2]" 1
361 1 18 ALA H 1 20 GLU H . . 4.930 4.388 4.123 4.623 . 0 0 "[ . 1 . 2]" 1
362 1 18 ALA H 1 56 VAL QG . . 5.310 4.273 3.952 4.500 . 0 0 "[ . 1 . 2]" 1
363 1 18 ALA H 1 82 VAL QG . . 4.200 3.132 2.759 3.501 . 0 0 "[ . 1 . 2]" 1
364 1 18 ALA HA 1 21 THR H . . 4.310 3.665 3.134 4.080 . 0 0 "[ . 1 . 2]" 1
365 1 18 ALA HA 1 21 THR MG . . 5.310 4.457 4.112 4.907 . 0 0 "[ . 1 . 2]" 1
366 1 18 ALA HA 1 22 ARG H . . 4.080 3.921 3.471 3.987 . 0 0 "[ . 1 . 2]" 1
367 1 18 ALA HA 1 23 LYS H . . 3.590 2.786 2.353 3.255 . 0 0 "[ . 1 . 2]" 1
368 1 18 ALA HA 1 23 LYS HB2 . . 3.260 2.813 2.328 3.350 0.090 12 0 "[ . 1 . 2]" 1
369 1 18 ALA HA 1 82 VAL QG . . 4.060 2.890 2.526 3.499 . 0 0 "[ . 1 . 2]" 1
370 1 18 ALA MB 1 19 GLU H . . 3.370 2.681 2.351 2.998 . 0 0 "[ . 1 . 2]" 1
371 1 18 ALA MB 1 19 GLU HA . . 4.810 4.004 3.813 4.132 . 0 0 "[ . 1 . 2]" 1
372 1 18 ALA MB 1 20 GLU H . . 5.500 4.777 4.524 4.953 . 0 0 "[ . 1 . 2]" 1
373 1 18 ALA MB 1 21 THR H . . 5.500 4.834 4.495 5.196 . 0 0 "[ . 1 . 2]" 1
374 1 18 ALA MB 1 23 LYS H . . 4.460 3.669 2.965 4.402 . 0 0 "[ . 1 . 2]" 1
375 1 18 ALA MB 1 25 MET HB2 . . 3.250 2.652 2.146 3.074 . 0 0 "[ . 1 . 2]" 1
376 1 18 ALA MB 1 25 MET HB3 . . 4.700 3.598 3.103 4.172 . 0 0 "[ . 1 . 2]" 1
377 1 18 ALA MB 1 25 MET ME . . 4.050 3.033 2.002 4.137 0.087 4 0 "[ . 1 . 2]" 1
378 1 18 ALA MB 1 56 VAL HA . . 4.930 4.153 3.404 4.658 . 0 0 "[ . 1 . 2]" 1
379 1 18 ALA MB 1 56 VAL QG . . 3.330 2.068 1.872 2.391 . 0 0 "[ . 1 . 2]" 1
380 1 18 ALA MB 1 57 ARG H . . 5.240 4.103 3.520 5.361 0.121 5 0 "[ . 1 . 2]" 1
381 1 18 ALA MB 1 82 VAL QG . . 3.240 2.177 1.930 2.556 . 0 0 "[ . 1 . 2]" 1
382 1 19 GLU H 1 19 GLU HB2 . . 3.290 2.047 1.862 2.178 . 0 0 "[ . 1 . 2]" 1
383 1 19 GLU H 1 19 GLU HB3 . . 3.070 3.197 2.654 3.432 0.362 5 0 "[ . 1 . 2]" 1
384 1 19 GLU H 1 19 GLU HG2 . . 3.670 3.908 3.255 4.078 0.408 19 0 "[ . 1 . 2]" 1
385 1 19 GLU H 1 20 GLU H . . 3.260 2.810 2.541 3.074 . 0 0 "[ . 1 . 2]" 1
386 1 19 GLU H 1 21 THR H . . 5.210 4.310 3.687 4.746 . 0 0 "[ . 1 . 2]" 1
387 1 19 GLU H 1 56 VAL QG . . 3.740 3.088 2.739 3.424 . 0 0 "[ . 1 . 2]" 1
388 1 19 GLU HA 1 19 GLU HG2 . . 3.590 2.214 2.034 2.376 . 0 0 "[ . 1 . 2]" 1
389 1 19 GLU HA 1 19 GLU HG3 . . 3.100 2.800 2.499 3.235 0.135 8 0 "[ . 1 . 2]" 1
390 1 19 GLU HA 1 22 ARG H . . 3.920 4.268 3.442 6.573 2.653 9 4 "[ *. +1 * -2]" 1
391 1 19 GLU HA 1 22 ARG HA . . 5.110 4.010 3.222 5.223 0.113 15 0 "[ . 1 . 2]" 1
392 1 19 GLU HA 1 56 VAL HA . . 3.840 3.508 2.561 3.973 0.133 13 0 "[ . 1 . 2]" 1
393 1 19 GLU HA 1 56 VAL QG . . 3.470 2.596 2.013 3.177 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLU HB2 1 20 GLU H . . 3.410 2.919 2.348 3.508 0.098 20 0 "[ . 1 . 2]" 1
395 1 19 GLU HB2 1 56 VAL QG . . 3.820 3.387 2.754 3.845 0.025 3 0 "[ . 1 . 2]" 1
396 1 19 GLU HB3 1 20 GLU H . . 3.800 2.725 2.272 3.230 . 0 0 "[ . 1 . 2]" 1
397 1 19 GLU HB3 1 56 VAL QG . . 4.190 4.059 3.884 4.261 0.071 20 0 "[ . 1 . 2]" 1
398 1 19 GLU HG2 1 20 GLU H . . 5.140 4.641 4.160 4.873 . 0 0 "[ . 1 . 2]" 1
399 1 19 GLU HG2 1 56 VAL QG . . 3.670 2.689 2.012 3.487 . 0 0 "[ . 1 . 2]" 1
400 1 19 GLU HG3 1 20 GLU H . . 4.740 4.815 4.519 5.198 0.458 20 0 "[ . 1 . 2]" 1
401 1 19 GLU HG3 1 56 VAL QG . . 3.380 2.136 1.966 2.369 . 0 0 "[ . 1 . 2]" 1
402 1 20 GLU H 1 20 GLU HB2 . . 2.940 2.315 2.118 2.487 . 0 0 "[ . 1 . 2]" 1
403 1 20 GLU H 1 20 GLU HB3 . . 2.960 2.529 2.247 2.765 . 0 0 "[ . 1 . 2]" 1
404 1 20 GLU H 1 20 GLU QG . . 4.340 3.923 3.857 3.991 . 0 0 "[ . 1 . 2]" 1
405 1 20 GLU H 1 21 THR MG . . 4.880 4.443 4.215 4.746 . 0 0 "[ . 1 . 2]" 1
406 1 20 GLU H 1 56 VAL QG . . 5.500 4.897 4.560 5.244 . 0 0 "[ . 1 . 2]" 1
407 1 20 GLU HA 1 20 GLU HB2 . . 2.870 2.508 2.394 2.620 . 0 0 "[ . 1 . 2]" 1
408 1 20 GLU HA 1 20 GLU QG . . 3.590 2.441 2.158 2.981 . 0 0 "[ . 1 . 2]" 1
409 1 20 GLU HB2 1 21 THR H . . 4.010 3.795 3.500 4.058 0.048 8 0 "[ . 1 . 2]" 1
410 1 20 GLU HB2 1 21 THR MG . . 4.510 4.392 3.956 4.640 0.130 9 0 "[ . 1 . 2]" 1
411 1 20 GLU HB3 1 21 THR H . . 3.710 2.590 2.122 3.323 . 0 0 "[ . 1 . 2]" 1
412 1 20 GLU HB3 1 21 THR MG . . 3.580 2.860 2.399 3.176 . 0 0 "[ . 1 . 2]" 1
413 1 20 GLU QG 1 21 THR H . . 5.500 3.707 3.162 4.400 . 0 0 "[ . 1 . 2]" 1
414 1 20 GLU QG 1 21 THR HA . . 4.580 3.925 3.446 4.555 . 0 0 "[ . 1 . 2]" 1
415 1 20 GLU QG 1 21 THR MG . . 3.650 3.144 2.320 3.545 . 0 0 "[ . 1 . 2]" 1
416 1 21 THR H 1 21 THR MG . . 3.230 2.574 2.144 3.106 . 0 0 "[ . 1 . 2]" 1
417 1 21 THR H 1 23 LYS H . . 4.590 3.991 3.487 4.457 . 0 0 "[ . 1 . 2]" 1
418 1 21 THR H 1 23 LYS QD . . 5.460 5.155 4.709 5.779 0.319 9 0 "[ . 1 . 2]" 1
419 1 21 THR HA 1 21 THR MG . . 2.990 2.348 2.256 2.448 . 0 0 "[ . 1 . 2]" 1
420 1 21 THR HB 1 22 ARG H . . 4.740 3.831 1.979 4.429 . 0 0 "[ . 1 . 2]" 1
421 1 21 THR HB 1 23 LYS H . . 4.480 3.809 3.154 4.588 0.108 7 0 "[ . 1 . 2]" 1
422 1 21 THR HB 1 23 LYS QD . . 3.620 2.842 1.986 3.949 0.329 4 0 "[ . 1 . 2]" 1
423 1 21 THR HB 1 23 LYS QE . . 4.100 2.939 1.933 3.964 . 0 0 "[ . 1 . 2]" 1
424 1 21 THR HB 1 23 LYS HG2 . . 4.240 3.974 3.251 4.325 0.085 19 0 "[ . 1 . 2]" 1
425 1 21 THR HB 1 23 LYS HG3 . . 4.240 2.488 2.194 3.057 . 0 0 "[ . 1 . 2]" 1
426 1 21 THR MG 1 22 ARG H . . 5.280 4.140 3.606 4.421 . 0 0 "[ . 1 . 2]" 1
427 1 21 THR MG 1 23 LYS H . . 5.060 4.603 4.137 5.126 0.066 7 0 "[ . 1 . 2]" 1
428 1 21 THR MG 1 23 LYS QE . . 4.760 3.399 2.386 4.397 . 0 0 "[ . 1 . 2]" 1
429 1 22 ARG H 1 22 ARG HA . . 2.830 2.318 2.065 2.881 0.051 9 0 "[ . 1 . 2]" 1
430 1 22 ARG H 1 22 ARG HD2 . . 4.430 3.343 2.162 4.419 . 0 0 "[ . 1 . 2]" 1
431 1 22 ARG H 1 22 ARG HD3 . . 4.300 3.328 2.382 4.423 0.123 16 0 "[ . 1 . 2]" 1
432 1 22 ARG H 1 22 ARG HG2 . . 4.670 4.219 2.615 4.815 0.145 4 0 "[ . 1 . 2]" 1
433 1 22 ARG H 1 22 ARG HG3 . . 4.030 3.977 3.288 4.815 0.785 19 1 "[ . 1 . +2]" 1
434 1 22 ARG H 1 23 LYS H . . 3.280 2.609 1.634 2.912 . 0 0 "[ . 1 . 2]" 1
435 1 22 ARG HA 1 22 ARG HD2 . . 3.690 3.075 2.057 3.816 0.126 19 0 "[ . 1 . 2]" 1
436 1 22 ARG HA 1 22 ARG HD3 . . 3.560 3.500 2.484 3.797 0.237 1 0 "[ . 1 . 2]" 1
437 1 22 ARG HA 1 22 ARG HG3 . . 3.890 2.885 2.101 4.131 0.241 19 0 "[ . 1 . 2]" 1
438 1 22 ARG HA 1 23 LYS H . . 3.450 2.888 2.395 3.257 . 0 0 "[ . 1 . 2]" 1
439 1 22 ARG QB 1 22 ARG HD2 . . 3.800 3.074 2.334 3.520 . 0 0 "[ . 1 . 2]" 1
440 1 22 ARG QB 1 22 ARG HD3 . . 3.890 2.729 2.253 3.606 . 0 0 "[ . 1 . 2]" 1
441 1 23 LYS H 1 23 LYS HB2 . . 3.080 2.405 2.251 2.680 . 0 0 "[ . 1 . 2]" 1
442 1 23 LYS H 1 23 LYS HB3 . . 3.890 3.620 3.537 3.744 . 0 0 "[ . 1 . 2]" 1
443 1 23 LYS H 1 23 LYS QD . . 4.870 3.954 3.522 4.454 . 0 0 "[ . 1 . 2]" 1
444 1 23 LYS H 1 23 LYS HG2 . . 4.450 3.809 3.202 4.289 . 0 0 "[ . 1 . 2]" 1
445 1 23 LYS H 1 23 LYS HG3 . . 3.500 2.663 2.190 3.288 . 0 0 "[ . 1 . 2]" 1
446 1 23 LYS H 1 24 LEU H . . 4.940 4.572 4.441 4.660 . 0 0 "[ . 1 . 2]" 1
447 1 23 LYS HA 1 23 LYS QD . . 4.930 3.979 3.844 4.133 . 0 0 "[ . 1 . 2]" 1
448 1 23 LYS HA 1 23 LYS HG2 . . 3.220 2.389 2.226 2.598 . 0 0 "[ . 1 . 2]" 1
449 1 23 LYS HA 1 23 LYS HG3 . . 3.570 2.846 2.404 3.321 . 0 0 "[ . 1 . 2]" 1
450 1 23 LYS HA 1 24 LEU H . . 2.980 2.329 2.072 2.671 . 0 0 "[ . 1 . 2]" 1
451 1 23 LYS HB2 1 23 LYS QD . . 3.650 2.523 2.346 3.257 . 0 0 "[ . 1 . 2]" 1
452 1 23 LYS HB2 1 24 LEU H . . 4.620 3.805 3.075 4.253 . 0 0 "[ . 1 . 2]" 1
453 1 23 LYS HB2 1 81 LEU HA . . 4.750 4.725 4.267 4.869 0.119 12 0 "[ . 1 . 2]" 1
454 1 23 LYS HB3 1 24 LEU H . . 3.950 2.580 2.008 3.295 . 0 0 "[ . 1 . 2]" 1
455 1 23 LYS HB3 1 81 LEU HA . . 4.190 3.325 2.816 3.913 . 0 0 "[ . 1 . 2]" 1
456 1 23 LYS QE 1 80 PRO HB2 . . 5.110 2.698 1.935 3.785 . 0 0 "[ . 1 . 2]" 1
457 1 23 LYS QE 1 80 PRO HB3 . . 4.750 3.722 2.999 4.886 0.136 16 0 "[ . 1 . 2]" 1
458 1 23 LYS HG2 1 24 LEU H . . 4.870 3.763 3.357 4.263 . 0 0 "[ . 1 . 2]" 1
459 1 23 LYS HG2 1 80 PRO HB2 . . 4.280 3.384 2.462 4.374 0.094 12 0 "[ . 1 . 2]" 1
460 1 23 LYS HG2 1 80 PRO HG3 . . 4.190 3.809 3.404 4.200 0.010 6 0 "[ . 1 . 2]" 1
461 1 23 LYS HG3 1 80 PRO HG3 . . 5.140 5.244 4.919 5.818 0.678 19 1 "[ . 1 . +2]" 1
462 1 24 LEU H 1 24 LEU HB2 . . 3.450 2.492 2.331 2.769 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU H 1 24 LEU HB3 . . 3.360 2.423 2.209 2.676 . 0 0 "[ . 1 . 2]" 1
464 1 24 LEU H 1 24 LEU QD . . 4.740 3.722 3.636 3.796 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU H 1 24 LEU HG . . 5.040 4.406 4.286 4.478 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU H 1 25 MET H . . 5.270 4.554 4.462 4.650 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU H 1 81 LEU HA . . 3.750 3.308 2.793 3.784 0.034 20 0 "[ . 1 . 2]" 1
468 1 24 LEU H 1 81 LEU HB3 . . 5.500 5.385 5.015 5.588 0.088 20 0 "[ . 1 . 2]" 1
469 1 24 LEU H 1 81 LEU MD2 . . 4.300 3.793 3.458 4.245 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU HA 1 24 LEU QD . . 3.210 2.325 2.064 3.020 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU HA 1 24 LEU HG . . 4.220 3.032 2.303 3.384 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU HA 1 25 MET H . . 2.900 2.204 2.101 2.344 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU HA 1 25 MET HB3 . . 4.830 4.521 4.304 4.664 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU HA 1 57 ARG HB2 . . 4.230 2.773 2.237 4.225 . 0 0 "[ . 1 . 2]" 1
475 1 24 LEU HA 1 57 ARG HB3 . . 4.140 2.615 2.203 3.266 . 0 0 "[ . 1 . 2]" 1
476 1 24 LEU HB2 1 24 LEU QD . . 3.040 2.141 2.098 2.238 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU HB2 1 79 GLU HB3 . . 4.250 3.356 2.402 4.346 0.096 13 0 "[ . 1 . 2]" 1
478 1 24 LEU HB2 1 81 LEU HA . . 5.030 4.688 4.261 5.156 0.126 20 0 "[ . 1 . 2]" 1
479 1 24 LEU HB2 1 81 LEU MD2 . . 4.120 3.596 3.340 3.805 . 0 0 "[ . 1 . 2]" 1
480 1 24 LEU HB3 1 25 MET H . . 4.740 4.158 3.766 4.405 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU HB3 1 79 GLU HB3 . . 4.740 3.498 2.505 4.226 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU HB3 1 81 LEU HA . . 4.430 3.204 2.815 3.605 . 0 0 "[ . 1 . 2]" 1
483 1 24 LEU HB3 1 81 LEU MD2 . . 3.880 2.184 1.996 2.356 . 0 0 "[ . 1 . 2]" 1
484 1 24 LEU QD 1 25 MET H . . 3.590 2.378 1.992 2.830 . 0 0 "[ . 1 . 2]" 1
485 1 24 LEU QD 1 26 PRO QD . . 4.930 3.129 2.060 3.956 . 0 0 "[ . 1 . 2]" 1
486 1 24 LEU QD 1 57 ARG HB2 . . 4.900 3.601 3.004 5.270 0.370 1 0 "[ . 1 . 2]" 1
487 1 24 LEU QD 1 57 ARG HD3 . . 5.310 3.833 2.882 5.308 . 0 0 "[ . 1 . 2]" 1
488 1 24 LEU QD 1 59 PHE H . . 4.620 3.498 2.928 3.946 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU QD 1 59 PHE HB2 . . 3.620 2.057 1.959 2.222 . 0 0 "[ . 1 . 2]" 1
490 1 24 LEU QD 1 59 PHE HB3 . . 4.360 2.843 2.175 3.185 . 0 0 "[ . 1 . 2]" 1
491 1 24 LEU QD 1 59 PHE QD . . 3.590 3.279 2.927 3.633 0.043 20 0 "[ . 1 . 2]" 1
492 1 24 LEU QD 1 74 LEU HA . . 5.200 3.926 3.150 4.529 . 0 0 "[ . 1 . 2]" 1
493 1 24 LEU QD 1 74 LEU QD . . 3.420 2.573 1.939 3.190 . 0 0 "[ . 1 . 2]" 1
494 1 24 LEU QD 1 79 GLU H . . 5.180 4.179 3.327 4.733 . 0 0 "[ . 1 . 2]" 1
495 1 24 LEU QD 1 79 GLU HB2 . . 4.520 2.699 2.076 3.222 . 0 0 "[ . 1 . 2]" 1
496 1 24 LEU QD 1 79 GLU HB3 . . 4.480 3.395 2.640 3.842 . 0 0 "[ . 1 . 2]" 1
497 1 24 LEU QD 1 79 GLU HG2 . . 5.280 4.311 3.371 5.254 . 0 0 "[ . 1 . 2]" 1
498 1 24 LEU HG 1 25 MET H . . 3.790 3.157 2.773 3.690 . 0 0 "[ . 1 . 2]" 1
499 1 24 LEU HG 1 59 PHE HB2 . . 4.160 3.535 2.837 4.067 . 0 0 "[ . 1 . 2]" 1
500 1 24 LEU HG 1 59 PHE HB3 . . 4.800 3.852 3.287 4.895 0.095 6 0 "[ . 1 . 2]" 1
501 1 24 LEU HG 1 81 LEU MD2 . . 4.650 3.022 2.329 4.284 . 0 0 "[ . 1 . 2]" 1
502 1 25 MET H 1 25 MET HB2 . . 3.920 3.009 2.765 3.230 . 0 0 "[ . 1 . 2]" 1
503 1 25 MET H 1 25 MET HB3 . . 3.670 2.608 2.477 2.808 . 0 0 "[ . 1 . 2]" 1
504 1 25 MET H 1 25 MET HG2 . . 4.890 4.439 4.328 4.602 . 0 0 "[ . 1 . 2]" 1
505 1 25 MET H 1 26 PRO QD . . 5.220 3.758 3.528 3.976 . 0 0 "[ . 1 . 2]" 1
506 1 25 MET H 1 56 VAL QG . . 5.100 3.528 3.139 3.839 . 0 0 "[ . 1 . 2]" 1
507 1 25 MET H 1 57 ARG HB2 . . 4.930 4.227 3.730 5.491 0.561 1 2 "[+ . - 1 . 2]" 1
508 1 25 MET H 1 58 PHE HA . . 3.740 2.839 2.453 3.317 . 0 0 "[ . 1 . 2]" 1
509 1 25 MET H 1 59 PHE H . . 4.710 4.127 3.830 4.425 . 0 0 "[ . 1 . 2]" 1
510 1 25 MET H 1 59 PHE HB3 . . 5.500 4.975 4.448 5.656 0.156 5 0 "[ . 1 . 2]" 1
511 1 25 MET H 1 81 LEU MD2 . . 5.500 4.636 3.940 5.946 0.446 3 0 "[ . 1 . 2]" 1
512 1 25 MET HA 1 25 MET ME . . 5.020 4.236 3.672 4.792 . 0 0 "[ . 1 . 2]" 1
513 1 25 MET HA 1 25 MET HG2 . . 3.960 3.137 2.886 3.510 . 0 0 "[ . 1 . 2]" 1
514 1 25 MET HA 1 25 MET HG3 . . 3.560 2.448 2.336 2.584 . 0 0 "[ . 1 . 2]" 1
515 1 25 MET HA 1 26 PRO QD . . 3.000 2.088 2.004 2.153 . 0 0 "[ . 1 . 2]" 1
516 1 25 MET HA 1 81 LEU MD2 . . 5.070 4.082 3.183 5.624 0.554 3 1 "[ + . 1 . 2]" 1
517 1 25 MET HA 1 82 VAL H . . 3.830 3.082 2.754 3.937 0.107 20 0 "[ . 1 . 2]" 1
518 1 25 MET HA 1 82 VAL QG . . 3.790 3.448 3.104 3.816 0.026 3 0 "[ . 1 . 2]" 1
519 1 25 MET HA 1 83 THR HB . . 4.600 3.293 2.826 3.913 . 0 0 "[ . 1 . 2]" 1
520 1 25 MET HB2 1 26 PRO QD . . 4.820 4.258 4.088 4.398 . 0 0 "[ . 1 . 2]" 1
521 1 25 MET HB2 1 56 VAL QG . . 4.360 3.040 2.421 3.576 . 0 0 "[ . 1 . 2]" 1
522 1 25 MET HB2 1 58 PHE HA . . 4.610 4.602 4.192 4.725 0.115 6 0 "[ . 1 . 2]" 1
523 1 25 MET HB2 1 58 PHE QD . . 4.970 4.169 3.824 4.645 . 0 0 "[ . 1 . 2]" 1
524 1 25 MET HB3 1 56 VAL QG . . 4.150 2.631 2.206 3.183 . 0 0 "[ . 1 . 2]" 1
525 1 25 MET HB3 1 58 PHE HA . . 4.310 3.073 2.749 3.351 . 0 0 "[ . 1 . 2]" 1
526 1 25 MET HB3 1 58 PHE QD . . 3.670 2.471 2.114 2.933 . 0 0 "[ . 1 . 2]" 1
527 1 25 MET HB3 1 58 PHE QE . . 3.550 3.357 2.881 3.671 0.121 1 0 "[ . 1 . 2]" 1
528 1 25 MET ME 1 25 MET HG3 . . 3.470 2.437 2.209 2.950 . 0 0 "[ . 1 . 2]" 1
529 1 25 MET ME 1 27 ILE MD . . 3.630 4.319 3.153 5.306 1.676 3 13 "[ *+***** * ** .** -]" 1
530 1 25 MET ME 1 56 VAL QG . . 4.370 3.660 2.698 4.319 . 0 0 "[ . 1 . 2]" 1
531 1 25 MET ME 1 58 PHE QE . . 4.290 3.823 2.871 4.343 0.053 17 0 "[ . 1 . 2]" 1
532 1 25 MET ME 1 83 THR HA . . 4.220 3.617 3.008 4.181 . 0 0 "[ . 1 . 2]" 1
533 1 25 MET HG2 1 27 ILE MD . . 3.920 2.632 2.016 3.623 . 0 0 "[ . 1 . 2]" 1
534 1 25 MET HG2 1 27 ILE HG12 . . 4.170 4.096 3.475 4.611 0.441 18 0 "[ . 1 . 2]" 1
535 1 25 MET HG2 1 27 ILE HG13 . . 4.810 3.033 2.520 3.746 . 0 0 "[ . 1 . 2]" 1
536 1 25 MET HG2 1 56 VAL QG . . 5.250 4.235 3.785 5.045 . 0 0 "[ . 1 . 2]" 1
537 1 25 MET HG2 1 58 PHE HA . . 5.140 4.567 4.317 4.915 . 0 0 "[ . 1 . 2]" 1
538 1 25 MET HG2 1 58 PHE QD . . 4.400 3.306 2.854 3.719 . 0 0 "[ . 1 . 2]" 1
539 1 25 MET HG2 1 58 PHE QE . . 4.420 3.829 2.493 4.479 0.059 16 0 "[ . 1 . 2]" 1
540 1 25 MET HG3 1 26 PRO QD . . 4.460 3.519 2.717 3.994 . 0 0 "[ . 1 . 2]" 1
541 1 25 MET HG3 1 27 ILE MD . . 4.550 4.124 3.492 4.666 0.116 6 0 "[ . 1 . 2]" 1
542 1 25 MET HG3 1 56 VAL QG . . 5.500 4.575 4.040 5.362 . 0 0 "[ . 1 . 2]" 1
543 1 25 MET HG3 1 82 VAL H . . 5.500 4.350 3.720 4.654 . 0 0 "[ . 1 . 2]" 1
544 1 25 MET HG3 1 82 VAL QG . . 3.850 3.369 2.673 3.830 . 0 0 "[ . 1 . 2]" 1
545 1 25 MET HG3 1 83 THR HA . . 4.800 3.620 3.106 4.785 . 0 0 "[ . 1 . 2]" 1
546 1 26 PRO HA 1 27 ILE H . . 3.050 2.324 2.248 2.387 . 0 0 "[ . 1 . 2]" 1
547 1 26 PRO HA 1 27 ILE HB . . 4.740 4.566 4.225 4.851 0.111 10 0 "[ . 1 . 2]" 1
548 1 26 PRO HA 1 59 PHE H . . 3.530 2.449 2.182 2.974 . 0 0 "[ . 1 . 2]" 1
549 1 26 PRO HA 1 59 PHE HA . . 4.550 4.254 4.103 4.562 0.012 20 0 "[ . 1 . 2]" 1
550 1 26 PRO HA 1 59 PHE HB2 . . 3.810 3.748 3.566 3.903 0.093 20 0 "[ . 1 . 2]" 1
551 1 26 PRO HA 1 59 PHE HB3 . . 3.410 2.239 2.087 2.408 . 0 0 "[ . 1 . 2]" 1
552 1 26 PRO HA 1 59 PHE QD . . 3.980 3.660 3.225 4.102 0.122 5 0 "[ . 1 . 2]" 1
553 1 26 PRO HA 1 61 TYR QE . . 4.730 4.288 3.863 4.590 . 0 0 "[ . 1 . 2]" 1
554 1 26 PRO HA 1 74 LEU QD . . 5.300 4.383 3.983 4.932 . 0 0 "[ . 1 . 2]" 1
555 1 26 PRO HB2 1 61 TYR QE . . 4.070 2.326 2.146 2.804 . 0 0 "[ . 1 . 2]" 1
556 1 26 PRO HB2 1 74 LEU QD . . 5.100 3.536 3.023 4.197 . 0 0 "[ . 1 . 2]" 1
557 1 26 PRO HB2 1 83 THR HB . . 4.970 4.873 3.899 5.088 0.118 20 0 "[ . 1 . 2]" 1
558 1 26 PRO HB2 1 86 ILE MD . . 4.360 2.738 2.254 3.355 . 0 0 "[ . 1 . 2]" 1
559 1 26 PRO HB3 1 27 ILE H . . 4.470 3.693 3.149 3.868 . 0 0 "[ . 1 . 2]" 1
560 1 26 PRO HB3 1 59 PHE QD . . 5.020 2.420 2.173 2.910 . 0 0 "[ . 1 . 2]" 1
561 1 26 PRO HB3 1 61 TYR QE . . 3.890 3.923 2.942 4.175 0.285 13 0 "[ . 1 . 2]" 1
562 1 26 PRO HB3 1 74 LEU QD . . 4.700 2.733 2.267 3.388 . 0 0 "[ . 1 . 2]" 1
563 1 26 PRO HB3 1 86 ILE MD . . 4.690 3.783 3.259 4.183 . 0 0 "[ . 1 . 2]" 1
564 1 26 PRO QD 1 74 LEU QD . . 5.400 3.180 2.725 3.639 . 0 0 "[ . 1 . 2]" 1
565 1 26 PRO QD 1 81 LEU HA . . 4.870 4.025 3.621 4.430 . 0 0 "[ . 1 . 2]" 1
566 1 26 PRO QD 1 81 LEU HB2 . . 4.420 4.224 3.739 4.546 0.126 15 0 "[ . 1 . 2]" 1
567 1 26 PRO QD 1 81 LEU HB3 . . 4.400 2.794 2.433 3.216 . 0 0 "[ . 1 . 2]" 1
568 1 26 PRO QD 1 81 LEU MD1 . . 4.280 3.402 2.020 4.304 0.024 6 0 "[ . 1 . 2]" 1
569 1 26 PRO QD 1 81 LEU MD2 . . 3.750 2.393 1.985 4.053 0.303 3 0 "[ . 1 . 2]" 1
570 1 26 PRO QD 1 82 VAL H . . 4.210 3.260 2.937 3.648 . 0 0 "[ . 1 . 2]" 1
571 1 26 PRO QD 1 83 THR H . . 5.450 4.843 4.429 5.249 . 0 0 "[ . 1 . 2]" 1
572 1 26 PRO QD 1 83 THR HB . . 3.310 2.107 1.958 2.292 . 0 0 "[ . 1 . 2]" 1
573 1 26 PRO QD 1 83 THR MG . . 4.080 2.846 2.533 3.146 . 0 0 "[ . 1 . 2]" 1
574 1 26 PRO QD 1 86 ILE MD . . 4.660 3.929 3.715 4.128 . 0 0 "[ . 1 . 2]" 1
575 1 26 PRO HG2 1 74 LEU QD . . 4.280 3.594 3.032 4.060 . 0 0 "[ . 1 . 2]" 1
576 1 26 PRO HG2 1 83 THR HB . . 3.980 2.791 2.368 3.211 . 0 0 "[ . 1 . 2]" 1
577 1 26 PRO HG2 1 86 ILE MD . . 4.270 2.344 2.086 2.886 . 0 0 "[ . 1 . 2]" 1
578 1 26 PRO HG3 1 59 PHE HB3 . . 4.780 4.425 3.277 4.887 0.107 20 0 "[ . 1 . 2]" 1
579 1 26 PRO HG3 1 59 PHE QD . . 4.320 4.199 3.584 4.443 0.123 13 0 "[ . 1 . 2]" 1
580 1 26 PRO HG3 1 74 LEU QD . . 3.730 2.421 2.126 2.781 . 0 0 "[ . 1 . 2]" 1
581 1 26 PRO HG3 1 81 LEU MD2 . . 4.860 3.088 2.156 4.682 . 0 0 "[ . 1 . 2]" 1
582 1 26 PRO HG3 1 83 THR HB . . 4.270 3.964 3.479 4.392 0.122 4 0 "[ . 1 . 2]" 1
583 1 26 PRO HG3 1 83 THR MG . . 4.780 3.012 2.563 3.757 . 0 0 "[ . 1 . 2]" 1
584 1 27 ILE H 1 27 ILE HB . . 3.630 2.793 2.530 2.979 . 0 0 "[ . 1 . 2]" 1
585 1 27 ILE H 1 27 ILE MD . . 5.120 2.605 2.259 3.185 . 0 0 "[ . 1 . 2]" 1
586 1 27 ILE H 1 27 ILE HG12 . . 4.630 4.583 4.411 4.713 0.083 14 0 "[ . 1 . 2]" 1
587 1 27 ILE H 1 27 ILE MG . . 4.560 3.922 3.709 4.020 . 0 0 "[ . 1 . 2]" 1
588 1 27 ILE H 1 28 CYS H . . 5.200 4.306 4.183 4.388 . 0 0 "[ . 1 . 2]" 1
589 1 27 ILE H 1 59 PHE H . . 4.300 3.511 3.257 3.620 . 0 0 "[ . 1 . 2]" 1
590 1 27 ILE H 1 59 PHE HB3 . . 4.380 3.985 3.824 4.112 . 0 0 "[ . 1 . 2]" 1
591 1 27 ILE H 1 59 PHE QD . . 5.190 4.627 3.944 5.198 0.008 5 0 "[ . 1 . 2]" 1
592 1 27 ILE H 1 60 PHE H . . 4.530 4.523 4.300 4.570 0.040 20 0 "[ . 1 . 2]" 1
593 1 27 ILE H 1 60 PHE HA . . 3.830 2.642 2.494 2.773 . 0 0 "[ . 1 . 2]" 1
594 1 27 ILE H 1 60 PHE HB2 . . 5.500 5.538 5.421 5.630 0.130 14 0 "[ . 1 . 2]" 1
595 1 27 ILE H 1 61 TYR H . . 4.810 3.614 3.336 3.953 . 0 0 "[ . 1 . 2]" 1
596 1 27 ILE H 1 61 TYR QD . . 3.960 2.624 2.443 2.850 . 0 0 "[ . 1 . 2]" 1
597 1 27 ILE H 1 61 TYR QE . . 3.990 3.224 2.930 3.571 . 0 0 "[ . 1 . 2]" 1
598 1 27 ILE HA 1 27 ILE MD . . 3.360 3.437 2.984 3.524 0.164 15 0 "[ . 1 . 2]" 1
599 1 27 ILE HA 1 27 ILE HG12 . . 4.020 3.539 3.083 3.808 . 0 0 "[ . 1 . 2]" 1
600 1 27 ILE HA 1 27 ILE MG . . 3.370 2.435 2.300 2.614 . 0 0 "[ . 1 . 2]" 1
601 1 27 ILE HA 1 28 CYS H . . 2.860 2.221 2.111 2.306 . 0 0 "[ . 1 . 2]" 1
602 1 27 ILE HA 1 28 CYS HB2 . . 4.670 4.431 4.257 4.595 . 0 0 "[ . 1 . 2]" 1
603 1 27 ILE HA 1 34 ILE MD . . 4.840 4.589 3.945 4.979 0.139 5 0 "[ . 1 . 2]" 1
604 1 27 ILE HA 1 61 TYR QE . . 4.810 3.380 3.156 3.736 . 0 0 "[ . 1 . 2]" 1
605 1 27 ILE HB 1 28 CYS H . . 4.800 4.210 4.026 4.366 . 0 0 "[ . 1 . 2]" 1
606 1 27 ILE HB 1 60 PHE HA . . 4.490 2.738 2.392 3.230 . 0 0 "[ . 1 . 2]" 1
607 1 27 ILE HB 1 60 PHE QD . . 2.950 2.236 2.048 2.544 . 0 0 "[ . 1 . 2]" 1
608 1 27 ILE HB 1 60 PHE QE . . 3.320 3.096 2.506 3.390 0.070 6 0 "[ . 1 . 2]" 1
609 1 27 ILE MD 1 27 ILE MG . . 2.960 3.044 2.622 3.225 0.265 18 0 "[ . 1 . 2]" 1
610 1 27 ILE MD 1 58 PHE QD . . 3.090 1.920 1.827 2.049 . 0 0 "[ . 1 . 2]" 1
611 1 27 ILE MD 1 60 PHE QE . . 5.240 2.886 2.186 3.956 . 0 0 "[ . 1 . 2]" 1
612 1 27 ILE HG13 1 28 CYS H . . 4.790 4.504 4.215 4.870 0.080 10 0 "[ . 1 . 2]" 1
613 1 27 ILE HG13 1 58 PHE QD . . 4.000 3.993 2.903 4.267 0.267 18 0 "[ . 1 . 2]" 1
614 1 27 ILE HG13 1 60 PHE QE . . 5.250 4.755 4.336 5.174 . 0 0 "[ . 1 . 2]" 1
615 1 27 ILE MG 1 28 CYS H . . 3.450 2.676 2.445 2.901 . 0 0 "[ . 1 . 2]" 1
616 1 27 ILE MG 1 28 CYS HA . . 4.880 3.964 3.732 4.165 . 0 0 "[ . 1 . 2]" 1
617 1 27 ILE MG 1 28 CYS HB2 . . 5.220 4.521 4.070 4.741 . 0 0 "[ . 1 . 2]" 1
618 1 27 ILE MG 1 29 MET H . . 4.990 3.973 3.469 4.467 . 0 0 "[ . 1 . 2]" 1
619 1 27 ILE MG 1 29 MET HA . . 3.980 3.399 2.857 3.977 . 0 0 "[ . 1 . 2]" 1
620 1 27 ILE MG 1 34 ILE MG . . 3.060 2.156 1.989 2.963 . 0 0 "[ . 1 . 2]" 1
621 1 27 ILE MG 1 60 PHE HA . . 4.950 3.906 3.263 4.357 . 0 0 "[ . 1 . 2]" 1
622 1 27 ILE MG 1 60 PHE QD . . 2.920 2.648 2.066 3.044 0.124 10 0 "[ . 1 . 2]" 1
623 1 27 ILE MG 1 60 PHE QE . . 2.890 2.644 2.282 3.026 0.136 17 0 "[ . 1 . 2]" 1
624 1 27 ILE MG 1 60 PHE HZ . . 5.130 4.777 4.384 5.173 0.043 12 0 "[ . 1 . 2]" 1
625 1 27 ILE MG 1 61 TYR H . . 5.500 4.411 3.731 4.878 . 0 0 "[ . 1 . 2]" 1
626 1 28 CYS H 1 28 CYS HB2 . . 3.360 2.408 2.058 2.607 . 0 0 "[ . 1 . 2]" 1
627 1 28 CYS H 1 28 CYS HB3 . . 3.370 2.838 2.622 3.260 . 0 0 "[ . 1 . 2]" 1
628 1 28 CYS H 1 28 CYS HG . . 5.220 4.464 4.038 4.746 . 0 0 "[ . 1 . 2]" 1
629 1 28 CYS H 1 29 MET H . . 5.170 4.421 4.252 4.552 . 0 0 "[ . 1 . 2]" 1
630 1 28 CYS H 1 34 ILE MD . . 4.710 4.067 3.271 4.602 . 0 0 "[ . 1 . 2]" 1
631 1 28 CYS H 1 34 ILE MG . . 4.800 4.167 3.378 4.613 . 0 0 "[ . 1 . 2]" 1
632 1 28 CYS H 1 61 TYR QE . . 4.780 3.494 3.118 3.729 . 0 0 "[ . 1 . 2]" 1
633 1 28 CYS H 1 90 THR MG . . 4.990 4.390 3.935 4.910 . 0 0 "[ . 1 . 2]" 1
634 1 28 CYS HA 1 28 CYS HG . . 3.560 2.266 1.874 2.842 . 0 0 "[ . 1 . 2]" 1
635 1 28 CYS HA 1 29 MET H . . 2.890 2.208 2.136 2.287 . 0 0 "[ . 1 . 2]" 1
636 1 28 CYS HA 1 29 MET QB . . 4.840 4.394 4.249 4.676 . 0 0 "[ . 1 . 2]" 1
637 1 28 CYS HA 1 30 ASP H . . 3.940 3.568 3.245 3.893 . 0 0 "[ . 1 . 2]" 1
638 1 28 CYS HA 1 60 PHE HA . . 4.870 4.657 4.375 4.970 0.100 10 0 "[ . 1 . 2]" 1
639 1 28 CYS HA 1 61 TYR H . . 3.790 3.053 2.709 3.358 . 0 0 "[ . 1 . 2]" 1
640 1 28 CYS HA 1 61 TYR QE . . 4.600 3.437 3.215 3.692 . 0 0 "[ . 1 . 2]" 1
641 1 28 CYS HB2 1 29 MET H . . 4.970 4.574 4.454 4.712 . 0 0 "[ . 1 . 2]" 1
642 1 28 CYS HB2 1 31 VAL QG . . 4.020 3.549 2.909 4.048 0.028 17 0 "[ . 1 . 2]" 1
643 1 28 CYS HB2 1 61 TYR QD . . 5.030 4.719 4.212 5.164 0.134 15 0 "[ . 1 . 2]" 1
644 1 28 CYS HB2 1 61 TYR QE . . 4.120 3.308 2.938 3.898 . 0 0 "[ . 1 . 2]" 1
645 1 28 CYS HB2 1 90 THR MG . . 4.070 2.884 2.331 3.567 . 0 0 "[ . 1 . 2]" 1
646 1 28 CYS HB3 1 29 MET H . . 4.870 4.155 3.908 4.452 . 0 0 "[ . 1 . 2]" 1
647 1 28 CYS HB3 1 31 VAL H . . 4.970 3.042 2.480 3.746 . 0 0 "[ . 1 . 2]" 1
648 1 28 CYS HB3 1 31 VAL QG . . 3.360 2.380 2.031 3.070 . 0 0 "[ . 1 . 2]" 1
649 1 28 CYS HB3 1 34 ILE MD . . 5.210 4.296 2.280 5.311 0.101 14 0 "[ . 1 . 2]" 1
650 1 28 CYS HB3 1 61 TYR QE . . 4.600 4.509 4.317 4.735 0.135 18 0 "[ . 1 . 2]" 1
651 1 28 CYS HB3 1 90 THR MG . . 3.490 2.954 2.471 3.499 0.009 13 0 "[ . 1 . 2]" 1
652 1 28 CYS HG 1 29 MET H . . 4.080 3.535 3.357 4.105 0.025 20 0 "[ . 1 . 2]" 1
653 1 28 CYS HG 1 30 ASP H . . 3.960 3.512 2.074 3.991 0.031 1 0 "[ . 1 . 2]" 1
654 1 28 CYS HG 1 30 ASP HB3 . . 4.210 3.888 2.313 4.322 0.112 14 0 "[ . 1 . 2]" 1
655 1 28 CYS HG 1 61 TYR QD . . 4.270 3.248 2.596 4.375 0.105 10 0 "[ . 1 . 2]" 1
656 1 28 CYS HG 1 61 TYR QE . . 3.880 2.579 2.101 3.783 . 0 0 "[ . 1 . 2]" 1
657 1 28 CYS HG 1 63 SER H . . 4.420 3.440 2.808 4.035 . 0 0 "[ . 1 . 2]" 1
658 1 28 CYS HG 1 63 SER QB . . 5.160 3.262 2.069 4.060 . 0 0 "[ . 1 . 2]" 1
659 1 29 MET H 1 29 MET ME . . 4.650 4.551 4.371 4.771 0.121 20 0 "[ . 1 . 2]" 1
660 1 29 MET H 1 29 MET HG2 . . 3.810 2.838 2.256 3.197 . 0 0 "[ . 1 . 2]" 1
661 1 29 MET H 1 29 MET HG3 . . 4.070 2.617 1.862 3.446 . 0 0 "[ . 1 . 2]" 1
662 1 29 MET H 1 30 ASP H . . 3.560 2.686 2.495 2.817 . 0 0 "[ . 1 . 2]" 1
663 1 29 MET H 1 31 VAL H . . 5.400 4.566 4.354 4.891 . 0 0 "[ . 1 . 2]" 1
664 1 29 MET H 1 60 PHE HA . . 5.220 4.444 3.783 4.686 . 0 0 "[ . 1 . 2]" 1
665 1 29 MET H 1 61 TYR H . . 3.860 2.924 2.581 3.199 . 0 0 "[ . 1 . 2]" 1
666 1 29 MET H 1 62 THR MG . . 5.500 4.469 3.873 4.922 . 0 0 "[ . 1 . 2]" 1
667 1 29 MET HA 1 29 MET ME . . 3.990 4.466 4.219 4.682 0.692 10 6 "[ * *. * + . - *2]" 1
668 1 29 MET HA 1 29 MET HG2 . . 3.270 2.663 2.195 4.095 0.825 20 3 "[ * . 1 . - +]" 1
669 1 29 MET HA 1 29 MET HG3 . . 4.160 3.463 2.988 3.800 . 0 0 "[ . 1 . 2]" 1
670 1 29 MET HA 1 35 MET ME . . 3.580 3.392 2.764 3.709 0.129 13 0 "[ . 1 . 2]" 1
671 1 29 MET HA 1 35 MET HG2 . . 4.190 3.099 2.548 3.635 . 0 0 "[ . 1 . 2]" 1
672 1 29 MET HA 1 35 MET HG3 . . 3.940 2.994 2.453 3.430 . 0 0 "[ . 1 . 2]" 1
673 1 29 MET QB 1 30 ASP H . . 4.100 3.017 2.442 3.833 . 0 0 "[ . 1 . 2]" 1
674 1 29 MET QB 1 47 ILE MG . . 4.950 3.757 2.426 4.266 . 0 0 "[ . 1 . 2]" 1
675 1 29 MET QB 1 61 TYR H . . 5.500 4.384 3.344 4.748 . 0 0 "[ . 1 . 2]" 1
676 1 29 MET QB 1 62 THR MG . . 5.470 3.472 2.525 4.937 . 0 0 "[ . 1 . 2]" 1
677 1 29 MET ME 1 29 MET HG2 . . 3.450 2.635 2.326 3.418 . 0 0 "[ . 1 . 2]" 1
678 1 29 MET ME 1 29 MET HG3 . . 3.020 2.579 2.201 3.440 0.420 18 0 "[ . 1 . 2]" 1
679 1 29 MET ME 1 47 ILE HA . . 4.590 4.099 3.513 4.638 0.048 6 0 "[ . 1 . 2]" 1
680 1 29 MET ME 1 47 ILE HB . . 3.140 3.956 3.029 4.343 1.203 6 18 "[*-***+*********** *2]" 1
681 1 29 MET ME 1 47 ILE MD . . 4.680 4.279 3.889 4.834 0.154 6 0 "[ . 1 . 2]" 1
682 1 29 MET ME 1 47 ILE MG . . 2.990 1.980 1.832 2.366 . 0 0 "[ . 1 . 2]" 1
683 1 29 MET ME 1 48 GLN H . . 3.990 3.229 2.538 3.881 . 0 0 "[ . 1 . 2]" 1
684 1 29 MET ME 1 48 GLN HA . . 3.150 3.160 2.909 3.290 0.140 1 0 "[ . 1 . 2]" 1
685 1 29 MET ME 1 49 GLU H . . 3.400 3.086 2.804 3.337 . 0 0 "[ . 1 . 2]" 1
686 1 29 MET ME 1 49 GLU HA . . 3.590 2.366 1.996 3.521 . 0 0 "[ . 1 . 2]" 1
687 1 29 MET ME 1 49 GLU QG . . 3.830 2.018 1.884 2.219 . 0 0 "[ . 1 . 2]" 1
688 1 29 MET ME 1 60 PHE HB2 . . 4.400 2.620 2.156 4.407 0.007 6 0 "[ . 1 . 2]" 1
689 1 29 MET ME 1 60 PHE HB3 . . 3.620 2.355 2.036 3.533 . 0 0 "[ . 1 . 2]" 1
690 1 29 MET ME 1 60 PHE QD . . 4.170 3.486 3.136 4.337 0.167 6 0 "[ . 1 . 2]" 1
691 1 29 MET HG2 1 30 ASP H . . 4.770 4.681 4.013 4.952 0.182 14 0 "[ . 1 . 2]" 1
692 1 29 MET HG2 1 47 ILE MG . . 5.130 3.467 2.660 4.318 . 0 0 "[ . 1 . 2]" 1
693 1 29 MET HG2 1 61 TYR H . . 4.460 3.660 2.770 4.331 . 0 0 "[ . 1 . 2]" 1
694 1 29 MET HG2 1 62 THR MG . . 5.060 4.637 2.988 5.193 0.133 4 0 "[ . 1 . 2]" 1
695 1 29 MET HG3 1 30 ASP H . . 4.860 4.388 2.513 4.979 0.119 5 0 "[ . 1 . 2]" 1
696 1 29 MET HG3 1 47 ILE MG . . 5.060 4.251 3.839 4.743 . 0 0 "[ . 1 . 2]" 1
697 1 29 MET HG3 1 60 PHE HB2 . . 5.140 4.346 3.847 5.660 0.520 2 2 "[ + . 1 . - 2]" 1
698 1 29 MET HG3 1 60 PHE HB3 . . 4.370 2.999 2.498 4.228 . 0 0 "[ . 1 . 2]" 1
699 1 29 MET HG3 1 61 TYR H . . 4.800 3.471 2.336 4.558 . 0 0 "[ . 1 . 2]" 1
700 1 29 MET HG3 1 62 THR MG . . 4.490 3.503 2.771 4.452 . 0 0 "[ . 1 . 2]" 1
701 1 30 ASP H 1 30 ASP HB2 . . 3.600 2.460 1.994 2.903 . 0 0 "[ . 1 . 2]" 1
702 1 30 ASP H 1 30 ASP HB3 . . 3.240 2.535 2.143 3.293 0.053 2 0 "[ . 1 . 2]" 1
703 1 30 ASP H 1 31 VAL HA . . 5.500 5.355 5.062 5.516 0.016 1 0 "[ . 1 . 2]" 1
704 1 30 ASP H 1 31 VAL QG . . 4.710 3.889 3.231 4.224 . 0 0 "[ . 1 . 2]" 1
705 1 30 ASP H 1 63 SER H . . 4.700 3.863 3.516 4.352 . 0 0 "[ . 1 . 2]" 1
706 1 30 ASP H 1 63 SER QB . . 5.480 4.067 3.639 5.266 . 0 0 "[ . 1 . 2]" 1
707 1 30 ASP HB2 1 31 VAL H . . 4.930 4.059 3.131 4.361 . 0 0 "[ . 1 . 2]" 1
708 1 30 ASP HB2 1 63 SER H . . 4.760 2.984 2.080 3.533 . 0 0 "[ . 1 . 2]" 1
709 1 30 ASP HB3 1 31 VAL QG . . 5.180 2.793 2.464 3.255 . 0 0 "[ . 1 . 2]" 1
710 1 30 ASP HB3 1 63 SER H . . 4.500 4.053 2.749 4.515 0.015 12 0 "[ . 1 . 2]" 1
711 1 30 ASP HB3 1 63 SER QB . . 4.240 2.828 2.373 3.855 . 0 0 "[ . 1 . 2]" 1
712 1 31 VAL H 1 31 VAL HB . . 3.140 2.640 2.483 3.208 0.068 6 0 "[ . 1 . 2]" 1
713 1 31 VAL H 1 31 VAL QG . . 3.100 2.305 1.731 2.817 . 0 0 "[ . 1 . 2]" 1
714 1 31 VAL H 1 32 ARG H . . 4.830 3.852 3.667 4.116 . 0 0 "[ . 1 . 2]" 1
715 1 31 VAL H 1 34 ILE H . . 5.500 5.162 4.590 5.534 0.034 5 0 "[ . 1 . 2]" 1
716 1 31 VAL H 1 34 ILE HB . . 5.480 4.626 4.247 4.907 . 0 0 "[ . 1 . 2]" 1
717 1 31 VAL H 1 35 MET HG2 . . 4.600 4.107 3.055 4.608 0.008 1 0 "[ . 1 . 2]" 1
718 1 31 VAL H 1 35 MET HG3 . . 4.860 4.230 3.616 4.951 0.091 19 0 "[ . 1 . 2]" 1
719 1 31 VAL HA 1 31 VAL QG . . 3.080 2.108 2.053 2.182 . 0 0 "[ . 1 . 2]" 1
720 1 31 VAL HA 1 32 ARG H . . 2.840 2.159 1.987 2.223 . 0 0 "[ . 1 . 2]" 1
721 1 31 VAL HA 1 32 ARG HA . . 4.360 4.460 4.429 4.477 0.117 8 0 "[ . 1 . 2]" 1
722 1 31 VAL HA 1 32 ARG QB . . 4.520 4.389 3.847 4.617 0.097 6 0 "[ . 1 . 2]" 1
723 1 31 VAL HA 1 32 ARG HG2 . . 5.390 4.825 3.681 5.706 0.316 6 0 "[ . 1 . 2]" 1
724 1 31 VAL HA 1 33 ALA H . . 4.850 3.518 3.308 3.890 . 0 0 "[ . 1 . 2]" 1
725 1 31 VAL HA 1 34 ILE H . . 4.820 4.401 4.124 4.796 . 0 0 "[ . 1 . 2]" 1
726 1 31 VAL HA 1 34 ILE HB . . 5.500 5.129 4.795 5.459 . 0 0 "[ . 1 . 2]" 1
727 1 31 VAL HB 1 32 ARG H . . 5.370 4.405 3.565 4.524 . 0 0 "[ . 1 . 2]" 1
728 1 31 VAL HB 1 34 ILE H . . 4.410 3.478 2.218 4.063 . 0 0 "[ . 1 . 2]" 1
729 1 31 VAL HB 1 34 ILE HB . . 3.540 2.834 2.466 3.309 . 0 0 "[ . 1 . 2]" 1
730 1 31 VAL HB 1 34 ILE HG13 . . 4.500 3.660 3.190 4.096 . 0 0 "[ . 1 . 2]" 1
731 1 31 VAL HB 1 34 ILE MG . . 4.380 4.110 3.763 4.520 0.140 18 0 "[ . 1 . 2]" 1
732 1 31 VAL HB 1 35 MET H . . 4.680 4.245 3.724 4.777 0.097 5 0 "[ . 1 . 2]" 1
733 1 31 VAL QG 1 32 ARG H . . 4.010 3.433 3.132 3.519 . 0 0 "[ . 1 . 2]" 1
734 1 31 VAL QG 1 32 ARG HA . . 5.370 4.515 4.342 4.666 . 0 0 "[ . 1 . 2]" 1
735 1 31 VAL QG 1 33 ALA H . . 4.110 2.875 2.329 3.596 . 0 0 "[ . 1 . 2]" 1
736 1 31 VAL QG 1 33 ALA HA . . 5.390 4.529 4.117 5.170 . 0 0 "[ . 1 . 2]" 1
737 1 31 VAL QG 1 33 ALA MB . . 3.470 2.498 2.177 3.173 . 0 0 "[ . 1 . 2]" 1
738 1 31 VAL QG 1 34 ILE H . . 3.060 2.233 1.892 2.820 . 0 0 "[ . 1 . 2]" 1
739 1 31 VAL QG 1 34 ILE HB . . 4.880 2.816 1.944 3.379 . 0 0 "[ . 1 . 2]" 1
740 1 31 VAL QG 1 34 ILE HG13 . . 3.450 2.330 2.067 3.402 . 0 0 "[ . 1 . 2]" 1
741 1 31 VAL QG 1 35 MET H . . 4.780 3.789 2.937 4.401 . 0 0 "[ . 1 . 2]" 1
742 1 31 VAL QG 1 89 VAL HB . . 5.440 5.192 4.795 5.393 . 0 0 "[ . 1 . 2]" 1
743 1 31 VAL QG 1 90 THR H . . 5.050 4.678 4.441 4.953 . 0 0 "[ . 1 . 2]" 1
744 1 31 VAL QG 1 90 THR HA . . 4.770 3.658 3.133 4.352 . 0 0 "[ . 1 . 2]" 1
745 1 31 VAL QG 1 90 THR HB . . 5.330 3.851 3.194 4.284 . 0 0 "[ . 1 . 2]" 1
746 1 31 VAL QG 1 90 THR MG . . 3.110 2.113 1.914 2.589 . 0 0 "[ . 1 . 2]" 1
747 1 32 ARG H 1 32 ARG QB . . 3.140 2.508 2.325 2.895 . 0 0 "[ . 1 . 2]" 1
748 1 32 ARG H 1 32 ARG QD . . 4.720 3.899 1.966 4.445 . 0 0 "[ . 1 . 2]" 1
749 1 32 ARG H 1 32 ARG HG2 . . 3.760 2.972 2.171 3.830 0.070 6 0 "[ . 1 . 2]" 1
750 1 32 ARG H 1 32 ARG HG3 . . 3.970 2.845 2.156 3.905 . 0 0 "[ . 1 . 2]" 1
751 1 32 ARG H 1 33 ALA H . . 4.300 2.924 2.694 3.236 . 0 0 "[ . 1 . 2]" 1
752 1 32 ARG H 1 34 ILE H . . 5.370 4.528 4.202 4.821 . 0 0 "[ . 1 . 2]" 1
753 1 32 ARG HA 1 32 ARG QB . . 2.780 2.303 2.088 2.490 . 0 0 "[ . 1 . 2]" 1
754 1 32 ARG HA 1 32 ARG QD . . 3.930 3.657 2.200 4.062 0.132 9 0 "[ . 1 . 2]" 1
755 1 32 ARG HA 1 32 ARG HG2 . . 3.870 2.990 2.162 4.063 0.193 7 0 "[ . 1 . 2]" 1
756 1 32 ARG HA 1 35 MET H . . 3.850 3.246 2.746 3.844 . 0 0 "[ . 1 . 2]" 1
757 1 32 ARG HA 1 35 MET HB2 . . 3.330 2.216 2.021 2.545 . 0 0 "[ . 1 . 2]" 1
758 1 32 ARG HA 1 35 MET HG2 . . 4.370 3.596 2.464 4.513 0.143 6 0 "[ . 1 . 2]" 1
759 1 32 ARG HA 1 35 MET HG3 . . 4.420 2.851 2.150 4.391 . 0 0 "[ . 1 . 2]" 1
760 1 32 ARG HA 1 36 ALA H . . 4.140 3.756 3.414 4.161 0.021 12 0 "[ . 1 . 2]" 1
761 1 32 ARG QB 1 33 ALA H . . 3.990 3.159 2.447 3.717 . 0 0 "[ . 1 . 2]" 1
762 1 32 ARG QB 1 33 ALA HA . . 4.350 4.229 3.717 4.478 0.128 12 0 "[ . 1 . 2]" 1
763 1 33 ALA H 1 33 ALA MB . . 3.500 2.220 2.143 2.265 . 0 0 "[ . 1 . 2]" 1
764 1 33 ALA H 1 34 ILE H . . 3.950 2.822 2.638 3.129 . 0 0 "[ . 1 . 2]" 1
765 1 33 ALA HA 1 36 ALA H . . 4.640 3.799 3.390 4.168 . 0 0 "[ . 1 . 2]" 1
766 1 33 ALA MB 1 34 ILE H . . 3.520 2.643 2.149 3.126 . 0 0 "[ . 1 . 2]" 1
767 1 34 ILE H 1 34 ILE HB . . 3.110 2.386 2.108 2.548 . 0 0 "[ . 1 . 2]" 1
768 1 34 ILE H 1 34 ILE MD . . 4.070 3.708 3.498 3.976 . 0 0 "[ . 1 . 2]" 1
769 1 34 ILE H 1 34 ILE HG12 . . 4.210 3.755 3.287 4.051 . 0 0 "[ . 1 . 2]" 1
770 1 34 ILE H 1 34 ILE HG13 . . 3.620 2.533 2.069 2.887 . 0 0 "[ . 1 . 2]" 1
771 1 34 ILE H 1 34 ILE MG . . 3.960 3.746 3.567 3.836 . 0 0 "[ . 1 . 2]" 1
772 1 34 ILE H 1 35 MET H . . 3.090 2.399 2.132 2.619 . 0 0 "[ . 1 . 2]" 1
773 1 34 ILE H 1 35 MET HG2 . . 5.130 4.389 4.100 4.768 . 0 0 "[ . 1 . 2]" 1
774 1 34 ILE H 1 36 ALA H . . 4.330 4.088 3.815 4.335 0.005 19 0 "[ . 1 . 2]" 1
775 1 34 ILE H 1 36 ALA MB . . 5.200 4.892 4.526 5.158 . 0 0 "[ . 1 . 2]" 1
776 1 34 ILE H 1 37 THR H . . 5.500 4.786 4.635 5.231 . 0 0 "[ . 1 . 2]" 1
777 1 34 ILE HA 1 34 ILE MD . . 3.850 3.858 3.755 3.938 0.088 16 0 "[ . 1 . 2]" 1
778 1 34 ILE HA 1 34 ILE HG12 . . 3.660 2.510 2.374 2.654 . 0 0 "[ . 1 . 2]" 1
779 1 34 ILE HA 1 34 ILE HG13 . . 3.530 2.909 2.559 3.167 . 0 0 "[ . 1 . 2]" 1
780 1 34 ILE HA 1 34 ILE MG . . 3.190 2.511 2.378 2.731 . 0 0 "[ . 1 . 2]" 1
781 1 34 ILE HA 1 36 ALA H . . 4.600 4.506 4.218 4.699 0.099 19 0 "[ . 1 . 2]" 1
782 1 34 ILE HA 1 37 THR H . . 3.790 3.404 3.064 3.701 . 0 0 "[ . 1 . 2]" 1
783 1 34 ILE HA 1 37 THR MG . . 3.420 3.453 2.860 3.557 0.137 14 0 "[ . 1 . 2]" 1
784 1 34 ILE HA 1 38 ILE H . . 4.770 4.166 3.955 4.692 . 0 0 "[ . 1 . 2]" 1
785 1 34 ILE HB 1 34 ILE MD . . 2.890 2.409 2.369 2.468 . 0 0 "[ . 1 . 2]" 1
786 1 34 ILE HB 1 35 MET H . . 3.130 2.686 2.429 3.015 . 0 0 "[ . 1 . 2]" 1
787 1 34 ILE MD 1 35 MET H . . 4.820 4.668 4.437 4.948 0.128 6 0 "[ . 1 . 2]" 1
788 1 34 ILE HG13 1 35 MET H . . 5.050 4.408 4.105 4.722 . 0 0 "[ . 1 . 2]" 1
789 1 34 ILE MG 1 35 MET H . . 4.020 3.357 3.117 3.720 . 0 0 "[ . 1 . 2]" 1
790 1 34 ILE MG 1 35 MET HA . . 3.840 3.519 3.278 3.852 0.012 9 0 "[ . 1 . 2]" 1
791 1 34 ILE MG 1 35 MET HG2 . . 5.210 3.926 3.690 4.148 . 0 0 "[ . 1 . 2]" 1
792 1 34 ILE MG 1 35 MET HG3 . . 5.270 5.283 5.103 5.392 0.122 19 0 "[ . 1 . 2]" 1
793 1 34 ILE MG 1 37 THR H . . 4.850 4.686 4.418 4.943 0.093 5 0 "[ . 1 . 2]" 1
794 1 34 ILE MG 1 37 THR HB . . 5.420 3.759 3.185 4.340 . 0 0 "[ . 1 . 2]" 1
795 1 34 ILE MG 1 38 ILE H . . 4.830 3.945 3.742 4.483 . 0 0 "[ . 1 . 2]" 1
796 1 34 ILE MG 1 38 ILE MD . . 3.100 2.180 1.988 2.695 . 0 0 "[ . 1 . 2]" 1
797 1 34 ILE MG 1 38 ILE QG . . 4.360 2.876 2.305 3.730 . 0 0 "[ . 1 . 2]" 1
798 1 35 MET H 1 35 MET HB2 . . 3.340 2.494 2.284 2.649 . 0 0 "[ . 1 . 2]" 1
799 1 35 MET H 1 35 MET ME . . 4.370 4.111 3.818 4.423 0.053 2 0 "[ . 1 . 2]" 1
800 1 35 MET H 1 35 MET HG2 . . 3.430 2.353 2.069 2.586 . 0 0 "[ . 1 . 2]" 1
801 1 35 MET H 1 35 MET HG3 . . 3.770 3.276 2.822 3.762 . 0 0 "[ . 1 . 2]" 1
802 1 35 MET H 1 36 ALA H . . 3.350 2.946 2.822 3.085 . 0 0 "[ . 1 . 2]" 1
803 1 35 MET H 1 36 ALA MB . . 4.810 4.561 4.440 4.711 . 0 0 "[ . 1 . 2]" 1
804 1 35 MET H 1 37 THR H . . 5.020 4.352 4.100 4.488 . 0 0 "[ . 1 . 2]" 1
805 1 35 MET HA 1 35 MET ME . . 3.380 2.227 1.994 2.746 . 0 0 "[ . 1 . 2]" 1
806 1 35 MET HA 1 35 MET HG2 . . 3.980 2.745 2.400 3.247 . 0 0 "[ . 1 . 2]" 1
807 1 35 MET HA 1 37 THR H . . 4.620 4.537 3.977 4.724 0.104 7 0 "[ . 1 . 2]" 1
808 1 35 MET HA 1 38 ILE H . . 3.850 3.534 3.295 3.717 . 0 0 "[ . 1 . 2]" 1
809 1 35 MET HA 1 38 ILE HB . . 2.960 2.925 2.650 3.072 0.112 14 0 "[ . 1 . 2]" 1
810 1 35 MET HA 1 38 ILE MD . . 3.720 3.298 2.480 3.867 0.147 14 0 "[ . 1 . 2]" 1
811 1 35 MET HA 1 38 ILE QG . . 4.400 4.072 3.379 4.346 . 0 0 "[ . 1 . 2]" 1
812 1 35 MET HA 1 38 ILE MG . . 4.320 4.264 4.039 4.438 0.118 9 0 "[ . 1 . 2]" 1
813 1 35 MET HA 1 39 GLN H . . 4.540 3.815 3.491 4.050 . 0 0 "[ . 1 . 2]" 1
814 1 35 MET HA 1 47 ILE MD . . 4.460 4.439 4.123 4.590 0.130 10 0 "[ . 1 . 2]" 1
815 1 35 MET HB2 1 35 MET ME . . 4.410 3.626 3.435 3.863 . 0 0 "[ . 1 . 2]" 1
816 1 35 MET HB2 1 36 ALA H . . 3.660 2.612 2.398 2.971 . 0 0 "[ . 1 . 2]" 1
817 1 35 MET HB3 1 35 MET ME . . 3.060 2.404 2.163 2.899 . 0 0 "[ . 1 . 2]" 1
818 1 35 MET HB3 1 36 ALA H . . 3.880 3.529 3.259 3.898 0.018 12 0 "[ . 1 . 2]" 1
819 1 35 MET HB3 1 39 GLN QE . . 4.860 3.030 2.011 4.435 . 0 0 "[ . 1 . 2]" 1
820 1 35 MET ME 1 35 MET HG2 . . 3.700 2.776 2.376 3.437 . 0 0 "[ . 1 . 2]" 1
821 1 35 MET ME 1 35 MET HG3 . . 3.480 3.145 2.380 3.472 . 0 0 "[ . 1 . 2]" 1
822 1 35 MET ME 1 38 ILE H . . 5.140 4.807 4.478 5.083 . 0 0 "[ . 1 . 2]" 1
823 1 35 MET ME 1 38 ILE HB . . 4.180 3.431 3.200 3.515 . 0 0 "[ . 1 . 2]" 1
824 1 35 MET ME 1 38 ILE MG . . 3.740 3.622 3.323 3.825 0.085 2 0 "[ . 1 . 2]" 1
825 1 35 MET ME 1 39 GLN H . . 4.790 4.157 3.847 4.377 . 0 0 "[ . 1 . 2]" 1
826 1 35 MET ME 1 39 GLN QE . . 4.900 3.210 1.936 4.338 . 0 0 "[ . 1 . 2]" 1
827 1 35 MET ME 1 47 ILE HA . . 4.540 4.206 3.874 4.463 . 0 0 "[ . 1 . 2]" 1
828 1 35 MET ME 1 47 ILE MD . . 3.180 2.081 1.988 2.183 . 0 0 "[ . 1 . 2]" 1
829 1 35 MET ME 1 47 ILE HG12 . . 3.780 3.778 3.358 4.625 0.845 17 1 "[ . 1 . + 2]" 1
830 1 35 MET ME 1 47 ILE MG . . 3.190 2.096 1.897 2.326 . 0 0 "[ . 1 . 2]" 1
831 1 35 MET ME 1 60 PHE QD . . 4.060 2.676 2.402 3.114 . 0 0 "[ . 1 . 2]" 1
832 1 35 MET ME 1 60 PHE QE . . 3.500 2.317 2.044 3.047 . 0 0 "[ . 1 . 2]" 1
833 1 35 MET ME 1 60 PHE HZ . . 3.790 3.608 3.203 3.899 0.109 17 0 "[ . 1 . 2]" 1
834 1 35 MET HG2 1 36 ALA H . . 4.840 4.570 4.322 4.677 . 0 0 "[ . 1 . 2]" 1
835 1 36 ALA H 1 36 ALA MB . . 2.790 2.223 2.170 2.271 . 0 0 "[ . 1 . 2]" 1
836 1 36 ALA H 1 37 THR H . . 3.290 2.791 2.492 2.934 . 0 0 "[ . 1 . 2]" 1
837 1 36 ALA H 1 38 ILE H . . 4.450 4.324 4.198 4.460 0.010 1 0 "[ . 1 . 2]" 1
838 1 36 ALA HA 1 39 GLN H . . 4.030 3.586 3.135 3.858 . 0 0 "[ . 1 . 2]" 1
839 1 36 ALA HA 1 39 GLN QB . . 3.300 2.706 2.329 3.282 . 0 0 "[ . 1 . 2]" 1
840 1 36 ALA HA 1 40 ARG QG . . 3.520 4.807 3.622 6.603 3.083 13 14 "[ *-**** *** +** **]" 1
841 1 36 ALA MB 1 37 THR H . . 3.250 2.532 2.338 2.941 . 0 0 "[ . 1 . 2]" 1
842 1 36 ALA MB 1 37 THR HA . . 5.220 3.896 3.741 4.132 . 0 0 "[ . 1 . 2]" 1
843 1 36 ALA MB 1 39 GLN QB . . 5.400 4.188 3.833 4.662 . 0 0 "[ . 1 . 2]" 1
844 1 36 ALA MB 1 40 ARG H . . 4.850 4.602 4.091 4.905 0.055 10 0 "[ . 1 . 2]" 1
845 1 36 ALA MB 1 40 ARG QD . . 4.730 4.037 2.472 4.890 0.160 5 0 "[ . 1 . 2]" 1
846 1 37 THR H 1 37 THR HB . . 3.870 2.141 1.930 2.507 . 0 0 "[ . 1 . 2]" 1
847 1 37 THR H 1 37 THR MG . . 3.990 3.581 3.150 3.722 . 0 0 "[ . 1 . 2]" 1
848 1 37 THR H 1 38 ILE H . . 3.260 2.818 2.416 2.963 . 0 0 "[ . 1 . 2]" 1
849 1 37 THR H 1 38 ILE HB . . 4.880 4.932 4.667 4.989 0.109 18 0 "[ . 1 . 2]" 1
850 1 37 THR H 1 38 ILE QG . . 5.500 4.514 3.950 5.790 0.290 8 0 "[ . 1 . 2]" 1
851 1 37 THR HA 1 37 THR MG . . 3.260 2.753 2.452 3.057 . 0 0 "[ . 1 . 2]" 1
852 1 37 THR HA 1 40 ARG QB . . 3.360 2.981 2.253 3.488 0.128 6 0 "[ . 1 . 2]" 1
853 1 37 THR HA 1 40 ARG QD . . 4.850 2.755 2.110 3.522 . 0 0 "[ . 1 . 2]" 1
854 1 37 THR HA 1 41 LYS H . . 4.550 4.603 4.110 4.686 0.136 9 0 "[ . 1 . 2]" 1
855 1 37 THR MG 1 38 ILE H . . 3.940 2.988 2.438 3.452 . 0 0 "[ . 1 . 2]" 1
856 1 37 THR MG 1 38 ILE HA . . 3.760 3.362 3.206 3.810 0.050 8 0 "[ . 1 . 2]" 1
857 1 37 THR MG 1 38 ILE MD . . 3.780 3.846 3.163 3.943 0.163 5 0 "[ . 1 . 2]" 1
858 1 37 THR MG 1 38 ILE QG . . 4.300 2.641 2.183 4.251 . 0 0 "[ . 1 . 2]" 1
859 1 37 THR MG 1 40 ARG H . . 5.500 5.069 4.785 5.299 . 0 0 "[ . 1 . 2]" 1
860 1 37 THR MG 1 41 LYS H . . 4.910 4.852 4.307 4.989 0.079 14 0 "[ . 1 . 2]" 1
861 1 38 ILE H 1 38 ILE HB . . 3.120 2.367 2.268 2.571 . 0 0 "[ . 1 . 2]" 1
862 1 38 ILE H 1 38 ILE MD . . 3.990 3.473 2.057 3.940 . 0 0 "[ . 1 . 2]" 1
863 1 38 ILE H 1 38 ILE QG . . 3.380 2.313 2.066 3.238 . 0 0 "[ . 1 . 2]" 1
864 1 38 ILE H 1 38 ILE MG . . 3.990 3.763 3.713 3.828 . 0 0 "[ . 1 . 2]" 1
865 1 38 ILE H 1 39 GLN H . . 3.380 2.725 2.355 2.938 . 0 0 "[ . 1 . 2]" 1
866 1 38 ILE H 1 41 LYS H . . 5.480 5.089 4.902 5.296 . 0 0 "[ . 1 . 2]" 1
867 1 38 ILE HA 1 38 ILE MD . . 3.890 3.745 3.002 3.920 0.030 2 0 "[ . 1 . 2]" 1
868 1 38 ILE HA 1 38 ILE QG . . 3.270 2.288 2.142 2.488 . 0 0 "[ . 1 . 2]" 1
869 1 38 ILE HA 1 38 ILE MG . . 3.320 2.536 2.430 2.626 . 0 0 "[ . 1 . 2]" 1
870 1 38 ILE HA 1 41 LYS H . . 4.120 3.551 3.369 3.780 . 0 0 "[ . 1 . 2]" 1
871 1 38 ILE HA 1 41 LYS HB2 . . 4.690 4.167 3.236 4.291 . 0 0 "[ . 1 . 2]" 1
872 1 38 ILE HA 1 41 LYS HB3 . . 3.990 3.534 3.104 4.111 0.121 14 0 "[ . 1 . 2]" 1
873 1 38 ILE HA 1 42 TYR H . . 4.380 3.802 3.514 4.141 . 0 0 "[ . 1 . 2]" 1
874 1 38 ILE HA 1 42 TYR QD . . 2.800 2.566 2.283 2.901 0.101 10 0 "[ . 1 . 2]" 1
875 1 38 ILE HA 1 42 TYR QE . . 3.670 3.642 3.121 3.791 0.121 1 0 "[ . 1 . 2]" 1
876 1 38 ILE HB 1 38 ILE MD . . 3.380 2.431 2.286 2.645 . 0 0 "[ . 1 . 2]" 1
877 1 38 ILE HB 1 39 GLN H . . 2.850 2.619 2.399 2.752 . 0 0 "[ . 1 . 2]" 1
878 1 38 ILE HB 1 42 TYR QD . . 3.830 4.675 4.536 4.878 1.048 18 20 [******-**********+**] 1
879 1 38 ILE MD 1 39 GLN H . . 4.740 4.617 4.111 4.866 0.126 14 0 "[ . 1 . 2]" 1
880 1 38 ILE MD 1 47 ILE MG . . 5.500 5.627 4.963 6.015 0.515 5 1 "[ + 1 . 2]" 1
881 1 38 ILE MD 1 58 PHE QE . . 4.300 3.146 2.069 4.125 . 0 0 "[ . 1 . 2]" 1
882 1 38 ILE MD 1 60 PHE QE . . 3.650 2.811 2.253 3.343 . 0 0 "[ . 1 . 2]" 1
883 1 38 ILE MD 1 60 PHE HZ . . 4.130 3.900 3.367 4.259 0.129 8 0 "[ . 1 . 2]" 1
884 1 38 ILE QG 1 42 TYR QD . . 5.290 3.708 3.293 4.091 . 0 0 "[ . 1 . 2]" 1
885 1 38 ILE QG 1 58 PHE QE . . 4.440 3.797 2.789 4.426 . 0 0 "[ . 1 . 2]" 1
886 1 38 ILE QG 1 58 PHE HZ . . 4.620 3.767 2.647 4.607 . 0 0 "[ . 1 . 2]" 1
887 1 38 ILE MG 1 39 GLN H . . 3.980 3.265 2.947 3.453 . 0 0 "[ . 1 . 2]" 1
888 1 38 ILE MG 1 39 GLN HG3 . . 5.140 3.631 2.962 4.152 . 0 0 "[ . 1 . 2]" 1
889 1 38 ILE MG 1 41 LYS H . . 5.500 4.744 4.555 4.952 . 0 0 "[ . 1 . 2]" 1
890 1 38 ILE MG 1 42 TYR H . . 4.850 3.722 3.356 3.906 . 0 0 "[ . 1 . 2]" 1
891 1 38 ILE MG 1 42 TYR QB . . 4.450 2.451 2.189 2.649 . 0 0 "[ . 1 . 2]" 1
892 1 38 ILE MG 1 42 TYR QD . . 2.680 2.390 2.192 2.776 0.096 12 0 "[ . 1 . 2]" 1
893 1 38 ILE MG 1 47 ILE MD . . 4.100 3.180 2.442 3.841 . 0 0 "[ . 1 . 2]" 1
894 1 38 ILE MG 1 47 ILE MG . . 5.360 5.206 4.708 5.515 0.155 13 0 "[ . 1 . 2]" 1
895 1 38 ILE MG 1 58 PHE QE . . 2.930 3.021 2.873 3.076 0.146 7 0 "[ . 1 . 2]" 1
896 1 38 ILE MG 1 58 PHE HZ . . 3.210 2.881 2.477 3.310 0.100 8 0 "[ . 1 . 2]" 1
897 1 38 ILE MG 1 60 PHE HZ . . 3.780 2.642 2.055 3.306 . 0 0 "[ . 1 . 2]" 1
898 1 39 GLN H 1 39 GLN QB . . 3.260 2.340 2.250 2.391 . 0 0 "[ . 1 . 2]" 1
899 1 39 GLN H 1 39 GLN HG2 . . 3.750 3.545 3.373 3.741 . 0 0 "[ . 1 . 2]" 1
900 1 39 GLN H 1 39 GLN HG3 . . 3.400 2.471 2.122 2.989 . 0 0 "[ . 1 . 2]" 1
901 1 39 GLN H 1 40 ARG H . . 3.320 2.801 2.697 2.909 . 0 0 "[ . 1 . 2]" 1
902 1 39 GLN H 1 40 ARG QB . . 4.700 4.698 4.291 4.832 0.132 14 0 "[ . 1 . 2]" 1
903 1 39 GLN H 1 41 LYS H . . 5.070 4.582 4.388 4.909 . 0 0 "[ . 1 . 2]" 1
904 1 39 GLN H 1 47 ILE MD . . 5.450 4.368 4.067 4.794 . 0 0 "[ . 1 . 2]" 1
905 1 39 GLN HA 1 39 GLN QB . . 2.780 2.429 2.399 2.484 . 0 0 "[ . 1 . 2]" 1
906 1 39 GLN HA 1 39 GLN HG2 . . 3.610 2.329 2.173 2.543 . 0 0 "[ . 1 . 2]" 1
907 1 39 GLN HA 1 39 GLN HG3 . . 3.780 2.952 2.741 3.153 . 0 0 "[ . 1 . 2]" 1
908 1 39 GLN HA 1 42 TYR H . . 4.440 3.394 2.937 3.906 . 0 0 "[ . 1 . 2]" 1
909 1 39 GLN HA 1 43 LYS HA . . 4.480 3.088 2.693 3.506 . 0 0 "[ . 1 . 2]" 1
910 1 39 GLN HA 1 47 ILE MD . . 4.810 4.010 3.644 4.313 . 0 0 "[ . 1 . 2]" 1
911 1 39 GLN QB 1 39 GLN QE . . 4.000 2.786 2.173 3.286 . 0 0 "[ . 1 . 2]" 1
912 1 39 GLN QB 1 40 ARG H . . 3.540 3.040 2.725 3.352 . 0 0 "[ . 1 . 2]" 1
913 1 39 GLN QE 1 40 ARG H . . 5.500 5.803 5.063 6.480 0.980 19 9 "[* . *** *-* * +2]" 1
914 1 39 GLN QE 1 47 ILE MD . . 4.700 3.563 2.734 4.294 . 0 0 "[ . 1 . 2]" 1
915 1 39 GLN HG2 1 40 ARG H . . 5.500 5.164 5.136 5.181 . 0 0 "[ . 1 . 2]" 1
916 1 39 GLN HG2 1 45 ILE MD . . 4.150 4.222 4.005 4.282 0.132 19 0 "[ . 1 . 2]" 1
917 1 39 GLN HG2 1 47 ILE MD . . 4.360 2.578 2.282 3.046 . 0 0 "[ . 1 . 2]" 1
918 1 39 GLN HG3 1 40 ARG H . . 5.500 4.783 4.526 5.086 . 0 0 "[ . 1 . 2]" 1
919 1 39 GLN HG3 1 45 ILE MD . . 4.870 4.949 4.646 5.026 0.156 4 0 "[ . 1 . 2]" 1
920 1 39 GLN HG3 1 47 ILE MD . . 4.360 2.618 2.383 3.176 . 0 0 "[ . 1 . 2]" 1
921 1 40 ARG H 1 40 ARG QB . . 2.850 2.272 1.949 2.431 . 0 0 "[ . 1 . 2]" 1
922 1 40 ARG H 1 40 ARG QD . . 4.330 3.985 3.503 4.452 0.122 6 0 "[ . 1 . 2]" 1
923 1 40 ARG H 1 40 ARG QG . . 3.730 2.888 2.374 3.579 . 0 0 "[ . 1 . 2]" 1
924 1 40 ARG H 1 41 LYS H . . 3.090 2.762 2.558 3.074 . 0 0 "[ . 1 . 2]" 1
925 1 40 ARG HA 1 40 ARG QB . . 2.800 2.342 2.113 2.492 . 0 0 "[ . 1 . 2]" 1
926 1 40 ARG HA 1 40 ARG QD . . 4.120 4.102 3.863 4.251 0.131 14 0 "[ . 1 . 2]" 1
927 1 40 ARG HA 1 40 ARG QG . . 3.780 2.626 2.142 3.462 . 0 0 "[ . 1 . 2]" 1
928 1 40 ARG QB 1 40 ARG QD . . 3.230 2.148 2.028 2.271 . 0 0 "[ . 1 . 2]" 1
929 1 40 ARG QB 1 40 ARG QG . . 2.420 2.098 2.026 2.125 . 0 0 "[ . 1 . 2]" 1
930 1 40 ARG QB 1 41 LYS H . . 3.360 2.709 2.172 3.465 0.105 6 0 "[ . 1 . 2]" 1
931 1 40 ARG QG 1 41 LYS H . . 4.790 3.493 1.970 4.411 . 0 0 "[ . 1 . 2]" 1
932 1 41 LYS H 1 41 LYS HB2 . . 3.170 2.369 2.059 2.674 . 0 0 "[ . 1 . 2]" 1
933 1 41 LYS H 1 41 LYS HB3 . . 3.230 2.689 2.412 3.241 0.011 14 0 "[ . 1 . 2]" 1
934 1 41 LYS H 1 41 LYS HG2 . . 4.420 4.416 4.274 4.619 0.199 10 0 "[ . 1 . 2]" 1
935 1 41 LYS H 1 41 LYS HG3 . . 4.790 4.384 3.477 4.590 . 0 0 "[ . 1 . 2]" 1
936 1 41 LYS H 1 42 TYR H . . 3.110 2.530 2.228 2.791 . 0 0 "[ . 1 . 2]" 1
937 1 41 LYS HA 1 41 LYS HB2 . . 2.990 2.627 2.470 2.962 . 0 0 "[ . 1 . 2]" 1
938 1 41 LYS HA 1 41 LYS HD2 . . 4.560 4.152 3.687 4.659 0.099 12 0 "[ . 1 . 2]" 1
939 1 41 LYS HA 1 41 LYS HD3 . . 4.450 4.107 3.075 4.612 0.162 11 0 "[ . 1 . 2]" 1
940 1 41 LYS HA 1 41 LYS HG2 . . 3.430 2.657 2.205 3.311 . 0 0 "[ . 1 . 2]" 1
941 1 41 LYS HA 1 41 LYS HG3 . . 3.990 2.946 2.296 3.700 . 0 0 "[ . 1 . 2]" 1
942 1 41 LYS HA 1 43 LYS H . . 4.710 4.730 4.549 4.757 0.047 8 0 "[ . 1 . 2]" 1
943 1 41 LYS HB2 1 41 LYS QE . . 4.980 4.036 3.152 4.435 . 0 0 "[ . 1 . 2]" 1
944 1 41 LYS HB2 1 42 TYR H . . 3.970 3.749 2.850 4.086 0.116 20 0 "[ . 1 . 2]" 1
945 1 41 LYS HB2 1 42 TYR QD . . 5.340 3.985 3.273 4.377 . 0 0 "[ . 1 . 2]" 1
946 1 41 LYS HB2 1 42 TYR QE . . 4.870 4.180 3.718 4.588 . 0 0 "[ . 1 . 2]" 1
947 1 41 LYS HB3 1 41 LYS QE . . 4.920 3.634 2.095 4.076 . 0 0 "[ . 1 . 2]" 1
948 1 41 LYS HB3 1 42 TYR H . . 3.510 2.777 2.065 3.246 . 0 0 "[ . 1 . 2]" 1
949 1 41 LYS HB3 1 42 TYR QD . . 3.550 2.522 2.107 2.852 . 0 0 "[ . 1 . 2]" 1
950 1 41 LYS HB3 1 42 TYR QE . . 4.410 2.977 2.580 3.403 . 0 0 "[ . 1 . 2]" 1
951 1 41 LYS HD2 1 42 TYR QE . . 4.740 3.623 2.441 4.851 0.111 10 0 "[ . 1 . 2]" 1
952 1 41 LYS HD3 1 42 TYR QE . . 4.480 3.395 2.320 4.579 0.099 6 0 "[ . 1 . 2]" 1
953 1 41 LYS QE 1 41 LYS HG2 . . 3.730 2.765 2.105 3.415 . 0 0 "[ . 1 . 2]" 1
954 1 41 LYS QE 1 41 LYS HG3 . . 3.830 2.709 2.102 3.536 . 0 0 "[ . 1 . 2]" 1
955 1 41 LYS QE 1 42 TYR QE . . 3.640 3.226 2.510 3.786 0.146 7 0 "[ . 1 . 2]" 1
956 1 41 LYS HG2 1 42 TYR H . . 4.860 4.478 3.440 4.998 0.138 16 0 "[ . 1 . 2]" 1
957 1 41 LYS HG2 1 42 TYR QD . . 5.270 4.532 3.352 5.311 0.041 2 0 "[ . 1 . 2]" 1
958 1 41 LYS HG2 1 42 TYR QE . . 5.170 4.402 3.029 5.171 0.001 1 0 "[ . 1 . 2]" 1
959 1 41 LYS HG3 1 42 TYR H . . 4.970 5.027 4.474 5.615 0.645 3 4 "[ + . - *1 .* 2]" 1
960 1 41 LYS HG3 1 42 TYR QD . . 5.290 4.969 4.507 5.421 0.131 14 0 "[ . 1 . 2]" 1
961 1 41 LYS HG3 1 42 TYR QE . . 5.180 4.545 3.601 5.258 0.078 14 0 "[ . 1 . 2]" 1
962 1 42 TYR H 1 42 TYR QB . . 3.380 2.589 2.423 2.782 . 0 0 "[ . 1 . 2]" 1
963 1 42 TYR H 1 42 TYR QD . . 2.930 2.612 2.100 3.021 0.091 9 0 "[ . 1 . 2]" 1
964 1 42 TYR H 1 42 TYR QE . . 5.020 4.620 4.261 4.976 . 0 0 "[ . 1 . 2]" 1
965 1 42 TYR H 1 43 LYS H . . 3.910 3.590 3.276 3.898 . 0 0 "[ . 1 . 2]" 1
966 1 42 TYR HA 1 42 TYR QD . . 3.090 3.154 2.959 3.368 0.278 20 0 "[ . 1 . 2]" 1
967 1 42 TYR HA 1 43 LYS H . . 2.970 2.528 2.404 2.704 . 0 0 "[ . 1 . 2]" 1
968 1 42 TYR QB 1 45 ILE HB . . 4.330 4.076 3.825 4.282 . 0 0 "[ . 1 . 2]" 1
969 1 42 TYR QB 1 45 ILE MD . . 4.430 3.864 3.601 4.023 . 0 0 "[ . 1 . 2]" 1
970 1 42 TYR QB 1 45 ILE MG . . 4.600 2.137 1.993 2.305 . 0 0 "[ . 1 . 2]" 1
971 1 42 TYR QB 1 54 TYR QD . . 2.660 2.283 2.079 2.547 . 0 0 "[ . 1 . 2]" 1
972 1 42 TYR QB 1 54 TYR QE . . 2.930 2.386 2.119 2.810 . 0 0 "[ . 1 . 2]" 1
973 1 42 TYR QB 1 58 PHE QE . . 4.020 3.121 2.717 3.675 . 0 0 "[ . 1 . 2]" 1
974 1 42 TYR QD 1 43 LYS H . . 4.970 5.159 5.020 5.258 0.288 6 0 "[ . 1 . 2]" 1
975 1 42 TYR QD 1 45 ILE MD . . 5.430 5.392 5.104 5.565 0.135 5 0 "[ . 1 . 2]" 1
976 1 42 TYR QD 1 54 TYR QD . . 3.560 2.808 2.191 3.298 . 0 0 "[ . 1 . 2]" 1
977 1 42 TYR QD 1 54 TYR QE . . 4.000 3.039 2.426 3.535 . 0 0 "[ . 1 . 2]" 1
978 1 42 TYR QD 1 55 GLY HA3 . . 3.400 2.927 2.493 3.264 . 0 0 "[ . 1 . 2]" 1
979 1 42 TYR QD 1 58 PHE QE . . 4.200 3.120 2.711 3.687 . 0 0 "[ . 1 . 2]" 1
980 1 42 TYR QD 1 58 PHE HZ . . 4.060 3.393 3.060 3.849 . 0 0 "[ . 1 . 2]" 1
981 1 42 TYR QE 1 55 GLY HA2 . . 4.650 3.905 3.311 4.747 0.097 7 0 "[ . 1 . 2]" 1
982 1 42 TYR QE 1 55 GLY HA3 . . 3.500 2.493 2.161 3.346 . 0 0 "[ . 1 . 2]" 1
983 1 42 TYR QE 1 56 VAL H . . 4.190 3.337 2.789 3.860 . 0 0 "[ . 1 . 2]" 1
984 1 42 TYR QE 1 56 VAL QG . . 3.210 2.561 1.987 3.217 0.007 17 0 "[ . 1 . 2]" 1
985 1 43 LYS H 1 43 LYS HB2 . . 2.770 2.569 2.334 3.021 0.251 20 0 "[ . 1 . 2]" 1
986 1 43 LYS H 1 43 LYS HB3 . . 3.140 2.468 2.219 3.031 . 0 0 "[ . 1 . 2]" 1
987 1 43 LYS H 1 43 LYS QE . . 5.290 5.371 4.275 6.298 1.008 10 11 "[ **. ***+ *-*.* *2]" 1
988 1 43 LYS H 1 43 LYS QG . . 4.220 3.890 3.835 3.948 . 0 0 "[ . 1 . 2]" 1
989 1 43 LYS H 1 44 GLY H . . 5.200 2.505 2.279 2.627 . 0 0 "[ . 1 . 2]" 1
990 1 43 LYS H 1 45 ILE H . . 4.420 4.322 4.075 4.447 0.027 16 0 "[ . 1 . 2]" 1
991 1 43 LYS H 1 54 TYR QE . . 5.280 3.786 3.272 4.312 . 0 0 "[ . 1 . 2]" 1
992 1 43 LYS HA 1 43 LYS HB2 . . 3.030 2.552 2.331 2.715 . 0 0 "[ . 1 . 2]" 1
993 1 43 LYS HA 1 43 LYS QE . . 4.680 4.218 3.404 4.644 . 0 0 "[ . 1 . 2]" 1
994 1 43 LYS HA 1 43 LYS QG . . 3.740 2.465 1.998 3.118 . 0 0 "[ . 1 . 2]" 1
995 1 43 LYS HA 1 45 ILE H . . 4.070 3.865 2.964 4.108 0.038 4 0 "[ . 1 . 2]" 1
996 1 43 LYS HA 1 45 ILE MD . . 5.100 5.232 5.040 5.257 0.157 8 0 "[ . 1 . 2]" 1
997 1 43 LYS QG 1 44 GLY HA2 . . 5.050 3.848 3.280 4.860 . 0 0 "[ . 1 . 2]" 1
998 1 44 GLY H 1 45 ILE H . . 4.010 2.751 2.442 2.976 . 0 0 "[ . 1 . 2]" 1
999 1 44 GLY HA3 1 54 TYR QE . . 4.010 3.550 2.924 4.105 0.095 19 0 "[ . 1 . 2]" 1
1000 1 45 ILE H 1 45 ILE HB . . 3.420 2.704 2.467 3.096 . 0 0 "[ . 1 . 2]" 1
1001 1 45 ILE H 1 45 ILE HG12 . . 4.840 4.456 4.399 4.552 . 0 0 "[ . 1 . 2]" 1
1002 1 45 ILE H 1 54 TYR QE . . 3.270 3.158 2.835 3.394 0.124 20 0 "[ . 1 . 2]" 1
1003 1 45 ILE HA 1 45 ILE MD . . 4.040 3.579 3.472 3.650 . 0 0 "[ . 1 . 2]" 1
1004 1 45 ILE HA 1 45 ILE HG12 . . 3.610 2.520 2.354 2.609 . 0 0 "[ . 1 . 2]" 1
1005 1 45 ILE HA 1 45 ILE HG13 . . 3.430 3.500 3.381 3.590 0.160 17 0 "[ . 1 . 2]" 1
1006 1 45 ILE HA 1 46 LYS H . . 2.730 2.317 2.120 2.468 . 0 0 "[ . 1 . 2]" 1
1007 1 45 ILE HA 1 46 LYS HA . . 4.560 4.484 4.402 4.557 . 0 0 "[ . 1 . 2]" 1
1008 1 45 ILE HA 1 46 LYS QE . . 3.360 3.162 2.424 3.483 0.123 9 0 "[ . 1 . 2]" 1
1009 1 45 ILE HA 1 54 TYR QD . . 4.310 4.345 4.129 4.433 0.123 9 0 "[ . 1 . 2]" 1
1010 1 45 ILE HA 1 54 TYR QE . . 4.710 4.619 4.162 4.849 0.139 12 0 "[ . 1 . 2]" 1
1011 1 45 ILE HB 1 46 LYS H . . 4.420 3.793 3.594 3.949 . 0 0 "[ . 1 . 2]" 1
1012 1 45 ILE HB 1 54 TYR HB3 . . 4.950 2.893 2.437 3.652 . 0 0 "[ . 1 . 2]" 1
1013 1 45 ILE HB 1 54 TYR QD . . 2.860 2.714 2.323 2.969 0.109 10 0 "[ . 1 . 2]" 1
1014 1 45 ILE MD 1 45 ILE MG . . 2.930 1.876 1.848 1.914 . 0 0 "[ . 1 . 2]" 1
1015 1 45 ILE MD 1 46 LYS H . . 4.400 2.822 2.330 3.352 . 0 0 "[ . 1 . 2]" 1
1016 1 45 ILE MD 1 46 LYS HA . . 4.900 3.449 3.051 3.661 . 0 0 "[ . 1 . 2]" 1
1017 1 45 ILE MD 1 47 ILE H . . 4.860 3.424 1.811 3.970 . 0 0 "[ . 1 . 2]" 1
1018 1 45 ILE MD 1 47 ILE MD . . 3.370 1.978 1.875 2.084 . 0 0 "[ . 1 . 2]" 1
1019 1 45 ILE MD 1 47 ILE MG . . 5.170 3.919 3.487 4.217 . 0 0 "[ . 1 . 2]" 1
1020 1 45 ILE MD 1 48 GLN H . . 4.710 3.663 3.266 4.137 . 0 0 "[ . 1 . 2]" 1
1021 1 45 ILE MD 1 48 GLN HE21 . . 5.420 2.945 2.503 3.686 . 0 0 "[ . 1 . 2]" 1
1022 1 45 ILE MD 1 48 GLN HE22 . . 5.500 3.584 2.540 4.912 . 0 0 "[ . 1 . 2]" 1
1023 1 45 ILE MD 1 52 VAL QG . . 3.980 2.030 1.909 2.145 . 0 0 "[ . 1 . 2]" 1
1024 1 45 ILE MD 1 54 TYR QD . . 3.860 4.020 3.982 4.034 0.174 7 0 "[ . 1 . 2]" 1
1025 1 45 ILE HG12 1 45 ILE MG . . 3.590 3.210 3.171 3.245 . 0 0 "[ . 1 . 2]" 1
1026 1 45 ILE HG12 1 46 LYS H . . 4.010 2.008 1.761 2.431 . 0 0 "[ . 1 . 2]" 1
1027 1 45 ILE HG12 1 47 ILE MD . . 5.500 4.336 4.188 4.476 . 0 0 "[ . 1 . 2]" 1
1028 1 45 ILE HG12 1 54 TYR HB3 . . 4.760 4.138 3.796 4.553 . 0 0 "[ . 1 . 2]" 1
1029 1 45 ILE HG13 1 45 ILE MG . . 3.630 2.524 2.419 2.623 . 0 0 "[ . 1 . 2]" 1
1030 1 45 ILE HG13 1 46 LYS H . . 3.680 3.689 3.399 4.105 0.425 1 0 "[ . 1 . 2]" 1
1031 1 45 ILE HG13 1 47 ILE MD . . 5.500 4.424 4.073 4.668 . 0 0 "[ . 1 . 2]" 1
1032 1 45 ILE MG 1 46 LYS H . . 4.210 3.911 3.605 4.216 0.006 1 0 "[ . 1 . 2]" 1
1033 1 45 ILE MG 1 47 ILE MD . . 4.280 3.099 2.662 3.443 . 0 0 "[ . 1 . 2]" 1
1034 1 45 ILE MG 1 54 TYR HB2 . . 4.360 4.160 3.618 4.487 0.127 9 0 "[ . 1 . 2]" 1
1035 1 45 ILE MG 1 54 TYR HB3 . . 3.670 3.161 2.698 3.543 . 0 0 "[ . 1 . 2]" 1
1036 1 45 ILE MG 1 54 TYR QD . . 3.020 2.228 2.107 2.506 . 0 0 "[ . 1 . 2]" 1
1037 1 45 ILE MG 1 54 TYR QE . . 4.010 2.497 2.274 2.785 . 0 0 "[ . 1 . 2]" 1
1038 1 46 LYS H 1 46 LYS HB3 . . 3.340 3.608 3.116 3.930 0.590 13 2 "[ . 1 -+ . 2]" 1
1039 1 46 LYS H 1 46 LYS QG . . 3.450 3.147 2.226 3.910 0.460 10 0 "[ . 1 . 2]" 1
1040 1 46 LYS H 1 47 ILE H . . 4.610 4.261 2.760 4.526 . 0 0 "[ . 1 . 2]" 1
1041 1 46 LYS H 1 47 ILE MD . . 5.500 4.585 4.110 5.110 . 0 0 "[ . 1 . 2]" 1
1042 1 46 LYS H 1 52 VAL QG . . 4.220 4.081 3.740 4.232 0.012 7 0 "[ . 1 . 2]" 1
1043 1 46 LYS HA 1 46 LYS HB3 . . 3.020 2.458 2.178 2.663 . 0 0 "[ . 1 . 2]" 1
1044 1 46 LYS HA 1 46 LYS QD . . 4.040 3.644 2.507 4.179 0.139 14 0 "[ . 1 . 2]" 1
1045 1 46 LYS HA 1 46 LYS QE . . 4.930 3.960 2.016 5.059 0.129 7 0 "[ . 1 . 2]" 1
1046 1 46 LYS HA 1 46 LYS QG . . 3.880 2.820 2.247 3.569 . 0 0 "[ . 1 . 2]" 1
1047 1 46 LYS HA 1 47 ILE H . . 2.610 2.300 2.192 2.527 . 0 0 "[ . 1 . 2]" 1
1048 1 46 LYS HA 1 47 ILE HA . . 4.690 4.422 4.274 4.663 . 0 0 "[ . 1 . 2]" 1
1049 1 46 LYS HA 1 47 ILE HB . . 4.690 4.602 3.766 4.803 0.113 18 0 "[ . 1 . 2]" 1
1050 1 46 LYS HA 1 47 ILE HG12 . . 4.720 3.694 2.961 4.197 . 0 0 "[ . 1 . 2]" 1
1051 1 46 LYS HB2 1 47 ILE H . . 4.340 3.978 2.872 4.417 0.077 12 0 "[ . 1 . 2]" 1
1052 1 46 LYS HB3 1 46 LYS QE . . 4.800 3.822 3.283 4.543 . 0 0 "[ . 1 . 2]" 1
1053 1 46 LYS HB3 1 47 ILE H . . 4.370 3.542 2.750 4.421 0.051 7 0 "[ . 1 . 2]" 1
1054 1 46 LYS QG 1 47 ILE H . . 4.950 4.322 3.511 4.979 0.029 19 0 "[ . 1 . 2]" 1
1055 1 47 ILE H 1 47 ILE HB . . 3.030 2.451 2.242 3.089 0.059 12 0 "[ . 1 . 2]" 1
1056 1 47 ILE H 1 47 ILE MD . . 4.020 3.107 2.008 3.868 . 0 0 "[ . 1 . 2]" 1
1057 1 47 ILE H 1 47 ILE HG12 . . 3.600 2.244 1.856 2.520 . 0 0 "[ . 1 . 2]" 1
1058 1 47 ILE H 1 47 ILE HG13 . . 3.680 3.648 3.401 3.731 0.051 6 0 "[ . 1 . 2]" 1
1059 1 47 ILE H 1 47 ILE MG . . 4.000 3.735 3.655 3.812 . 0 0 "[ . 1 . 2]" 1
1060 1 47 ILE H 1 48 GLN H . . 4.560 4.490 3.911 4.600 0.040 16 0 "[ . 1 . 2]" 1
1061 1 47 ILE H 1 48 GLN QG . . 5.500 5.403 4.432 6.280 0.780 7 2 "[ . + 1 . -2]" 1
1062 1 47 ILE HA 1 47 ILE MD . . 3.490 2.109 2.007 2.343 . 0 0 "[ . 1 . 2]" 1
1063 1 47 ILE HA 1 47 ILE HG12 . . 3.830 3.264 2.750 3.573 . 0 0 "[ . 1 . 2]" 1
1064 1 47 ILE HA 1 47 ILE HG13 . . 3.730 3.752 3.671 3.836 0.106 13 0 "[ . 1 . 2]" 1
1065 1 47 ILE HA 1 47 ILE MG . . 3.260 2.452 2.346 2.545 . 0 0 "[ . 1 . 2]" 1
1066 1 47 ILE HA 1 48 GLN H . . 2.660 2.137 1.984 2.271 . 0 0 "[ . 1 . 2]" 1
1067 1 47 ILE HA 1 48 GLN HA . . 4.640 4.462 4.407 4.584 . 0 0 "[ . 1 . 2]" 1
1068 1 47 ILE HA 1 48 GLN QG . . 4.630 3.942 3.516 4.459 . 0 0 "[ . 1 . 2]" 1
1069 1 47 ILE HA 1 52 VAL QG . . 3.680 3.461 3.022 3.685 0.005 17 0 "[ . 1 . 2]" 1
1070 1 47 ILE HA 1 60 PHE QD . . 3.820 3.725 2.932 3.956 0.136 6 0 "[ . 1 . 2]" 1
1071 1 47 ILE HA 1 60 PHE QE . . 3.690 3.340 2.292 3.783 0.093 15 0 "[ . 1 . 2]" 1
1072 1 47 ILE HB 1 47 ILE MD . . 3.570 3.272 3.250 3.304 . 0 0 "[ . 1 . 2]" 1
1073 1 47 ILE HB 1 48 GLN H . . 4.230 4.186 3.769 4.416 0.186 17 0 "[ . 1 . 2]" 1
1074 1 47 ILE MD 1 47 ILE MG . . 3.220 2.207 2.066 2.364 . 0 0 "[ . 1 . 2]" 1
1075 1 47 ILE MD 1 48 GLN H . . 5.050 3.730 3.542 4.074 . 0 0 "[ . 1 . 2]" 1
1076 1 47 ILE MD 1 48 GLN HE21 . . 4.950 4.529 4.344 4.827 . 0 0 "[ . 1 . 2]" 1
1077 1 47 ILE MD 1 48 GLN HE22 . . 5.500 5.527 4.830 5.617 0.117 19 0 "[ . 1 . 2]" 1
1078 1 47 ILE MD 1 52 VAL QG . . 5.500 3.519 3.097 3.820 . 0 0 "[ . 1 . 2]" 1
1079 1 47 ILE MD 1 60 PHE QD . . 5.160 3.596 3.401 3.952 . 0 0 "[ . 1 . 2]" 1
1080 1 47 ILE MD 1 60 PHE QE . . 3.790 2.646 2.212 2.905 . 0 0 "[ . 1 . 2]" 1
1081 1 47 ILE MD 1 60 PHE HZ . . 3.540 2.555 2.123 2.725 . 0 0 "[ . 1 . 2]" 1
1082 1 47 ILE HG13 1 47 ILE MG . . 3.660 2.290 2.161 2.667 . 0 0 "[ . 1 . 2]" 1
1083 1 47 ILE HG13 1 48 GLN H . . 5.480 5.378 5.089 5.632 0.152 17 0 "[ . 1 . 2]" 1
1084 1 47 ILE HG13 1 60 PHE QE . . 4.620 4.715 4.507 5.115 0.495 17 0 "[ . 1 . 2]" 1
1085 1 47 ILE HG13 1 60 PHE HZ . . 5.080 5.150 4.686 5.592 0.512 17 1 "[ . 1 . + 2]" 1
1086 1 47 ILE MG 1 48 GLN H . . 3.310 2.743 2.266 3.453 0.143 17 0 "[ . 1 . 2]" 1
1087 1 47 ILE MG 1 48 GLN HA . . 4.120 3.813 3.382 4.220 0.100 17 0 "[ . 1 . 2]" 1
1088 1 47 ILE MG 1 49 GLU H . . 5.500 4.821 4.164 5.382 . 0 0 "[ . 1 . 2]" 1
1089 1 47 ILE MG 1 52 VAL QG . . 4.820 4.155 3.555 4.714 . 0 0 "[ . 1 . 2]" 1
1090 1 47 ILE MG 1 60 PHE QD . . 3.530 3.126 2.775 3.350 . 0 0 "[ . 1 . 2]" 1
1091 1 47 ILE MG 1 60 PHE QE . . 3.750 3.503 2.987 3.720 . 0 0 "[ . 1 . 2]" 1
1092 1 47 ILE MG 1 60 PHE HZ . . 4.340 4.212 3.573 4.456 0.116 8 0 "[ . 1 . 2]" 1
1093 1 48 GLN H 1 48 GLN QG . . 3.660 2.690 1.856 3.559 . 0 0 "[ . 1 . 2]" 1
1094 1 48 GLN H 1 49 GLU H . . 4.660 4.315 4.166 4.448 . 0 0 "[ . 1 . 2]" 1
1095 1 48 GLN H 1 52 VAL QG . . 3.560 3.014 2.233 3.565 0.005 13 0 "[ . 1 . 2]" 1
1096 1 48 GLN H 1 60 PHE QD . . 3.930 2.787 2.006 3.207 . 0 0 "[ . 1 . 2]" 1
1097 1 48 GLN HA 1 48 GLN HB2 . . 2.840 2.654 2.408 3.026 0.186 18 0 "[ . 1 . 2]" 1
1098 1 48 GLN HA 1 48 GLN HB3 . . 2.910 2.498 2.379 2.599 . 0 0 "[ . 1 . 2]" 1
1099 1 48 GLN HA 1 48 GLN QG . . 4.000 3.102 2.347 3.500 . 0 0 "[ . 1 . 2]" 1
1100 1 48 GLN HA 1 49 GLU H . . 2.690 2.314 2.098 2.536 . 0 0 "[ . 1 . 2]" 1
1101 1 48 GLN HA 1 49 GLU HA . . 4.280 4.393 4.376 4.405 0.125 19 0 "[ . 1 . 2]" 1
1102 1 48 GLN HB2 1 49 GLU H . . 3.910 3.353 2.265 4.350 0.440 3 0 "[ . 1 . 2]" 1
1103 1 48 GLN HB3 1 52 VAL QG . . 4.820 4.106 3.193 5.310 0.490 17 0 "[ . 1 . 2]" 1
1104 1 48 GLN HE21 1 52 VAL HA . . 4.880 4.828 4.190 5.568 0.688 12 1 "[ . 1 + . 2]" 1
1105 1 48 GLN HE22 1 52 VAL HA . . 5.500 4.194 3.469 5.190 . 0 0 "[ . 1 . 2]" 1
1106 1 48 GLN QG 1 52 VAL QG . . 3.340 2.788 1.925 3.641 0.301 3 0 "[ . 1 . 2]" 1
1107 1 49 GLU H 1 49 GLU HB2 . . 3.220 2.022 1.950 2.100 . 0 0 "[ . 1 . 2]" 1
1108 1 49 GLU H 1 49 GLU HB3 . . 3.410 3.278 3.269 3.286 . 0 0 "[ . 1 . 2]" 1
1109 1 49 GLU H 1 49 GLU QG . . 3.290 3.132 2.882 3.331 0.041 20 0 "[ . 1 . 2]" 1
1110 1 49 GLU H 1 50 GLY H . . 4.820 4.143 3.747 4.540 . 0 0 "[ . 1 . 2]" 1
1111 1 49 GLU HA 1 49 GLU QG . . 3.250 2.286 2.102 2.430 . 0 0 "[ . 1 . 2]" 1
1112 1 49 GLU HA 1 50 GLY H . . 2.760 2.322 2.213 2.492 . 0 0 "[ . 1 . 2]" 1
1113 1 49 GLU HA 1 50 GLY HA2 . . 4.710 4.478 4.393 4.537 . 0 0 "[ . 1 . 2]" 1
1114 1 49 GLU HA 1 50 GLY HA3 . . 4.820 4.542 4.483 4.603 . 0 0 "[ . 1 . 2]" 1
1115 1 49 GLU HA 1 60 PHE H . . 4.790 4.423 4.006 4.809 0.019 1 0 "[ . 1 . 2]" 1
1116 1 49 GLU HA 1 60 PHE HB2 . . 3.350 2.731 2.485 2.922 . 0 0 "[ . 1 . 2]" 1
1117 1 49 GLU HA 1 60 PHE HB3 . . 3.600 3.584 2.863 3.710 0.110 15 0 "[ . 1 . 2]" 1
1118 1 49 GLU HA 1 60 PHE QD . . 4.590 4.453 4.298 4.655 0.065 15 0 "[ . 1 . 2]" 1
1119 1 49 GLU HA 1 61 TYR HA . . 4.650 3.931 3.435 4.206 . 0 0 "[ . 1 . 2]" 1
1120 1 49 GLU HA 1 62 THR MG . . 4.810 4.702 4.374 4.944 0.134 6 0 "[ . 1 . 2]" 1
1121 1 49 GLU HB2 1 49 GLU QG . . 2.440 2.387 2.246 2.466 0.026 15 0 "[ . 1 . 2]" 1
1122 1 49 GLU HB2 1 62 THR MG . . 5.070 4.701 4.516 5.018 . 0 0 "[ . 1 . 2]" 1
1123 1 49 GLU HB3 1 50 GLY H . . 4.500 4.074 3.582 4.379 . 0 0 "[ . 1 . 2]" 1
1124 1 49 GLU QG 1 50 GLY H . . 4.380 4.177 3.714 4.427 0.047 3 0 "[ . 1 . 2]" 1
1125 1 49 GLU QG 1 60 PHE HB2 . . 5.010 4.129 3.595 4.521 . 0 0 "[ . 1 . 2]" 1
1126 1 49 GLU QG 1 61 TYR HA . . 3.900 3.148 2.191 3.818 . 0 0 "[ . 1 . 2]" 1
1127 1 49 GLU QG 1 62 THR H . . 4.810 4.231 3.777 4.678 . 0 0 "[ . 1 . 2]" 1
1128 1 49 GLU QG 1 62 THR HA . . 5.100 4.642 4.163 5.059 . 0 0 "[ . 1 . 2]" 1
1129 1 49 GLU QG 1 62 THR MG . . 3.360 2.515 2.208 2.817 . 0 0 "[ . 1 . 2]" 1
1130 1 50 GLY H 1 51 ILE H . . 4.870 4.375 4.264 4.560 . 0 0 "[ . 1 . 2]" 1
1131 1 50 GLY H 1 59 PHE HA . . 5.500 4.281 3.897 4.589 . 0 0 "[ . 1 . 2]" 1
1132 1 50 GLY H 1 60 PHE HA . . 5.500 4.832 4.516 5.125 . 0 0 "[ . 1 . 2]" 1
1133 1 50 GLY H 1 60 PHE HB2 . . 3.880 2.762 2.307 3.338 . 0 0 "[ . 1 . 2]" 1
1134 1 50 GLY H 1 61 TYR HA . . 5.470 4.651 3.695 4.999 . 0 0 "[ . 1 . 2]" 1
1135 1 50 GLY HA2 1 51 ILE H . . 3.260 2.693 2.523 2.872 . 0 0 "[ . 1 . 2]" 1
1136 1 50 GLY HA2 1 51 ILE HB . . 5.010 4.916 4.705 5.134 0.124 4 0 "[ . 1 . 2]" 1
1137 1 50 GLY HA3 1 51 ILE H . . 3.050 2.433 2.314 2.735 . 0 0 "[ . 1 . 2]" 1
1138 1 50 GLY HA3 1 51 ILE HB . . 4.840 4.601 4.326 4.898 0.058 19 0 "[ . 1 . 2]" 1
1139 1 50 GLY HA3 1 51 ILE QG . . 5.070 4.492 4.235 4.776 . 0 0 "[ . 1 . 2]" 1
1140 1 50 GLY HA3 1 60 PHE H . . 5.490 5.161 4.901 5.599 0.109 3 0 "[ . 1 . 2]" 1
1141 1 51 ILE H 1 51 ILE HB . . 2.900 2.281 2.123 2.413 . 0 0 "[ . 1 . 2]" 1
1142 1 51 ILE H 1 51 ILE MD . . 3.950 3.827 3.674 3.944 . 0 0 "[ . 1 . 2]" 1
1143 1 51 ILE H 1 51 ILE QG . . 3.360 2.469 2.260 2.593 . 0 0 "[ . 1 . 2]" 1
1144 1 51 ILE H 1 51 ILE MG . . 4.360 3.729 3.628 3.803 . 0 0 "[ . 1 . 2]" 1
1145 1 51 ILE H 1 52 VAL H . . 4.920 4.533 4.481 4.581 . 0 0 "[ . 1 . 2]" 1
1146 1 51 ILE H 1 59 PHE HA . . 5.270 4.637 4.378 4.925 . 0 0 "[ . 1 . 2]" 1
1147 1 51 ILE H 1 59 PHE QD . . 3.870 3.287 2.980 3.611 . 0 0 "[ . 1 . 2]" 1
1148 1 51 ILE H 1 59 PHE QE . . 4.940 3.418 2.908 3.954 . 0 0 "[ . 1 . 2]" 1
1149 1 51 ILE HA 1 51 ILE MD . . 3.820 2.276 2.078 3.747 . 0 0 "[ . 1 . 2]" 1
1150 1 51 ILE HA 1 51 ILE QG . . 3.710 2.749 2.235 2.857 . 0 0 "[ . 1 . 2]" 1
1151 1 51 ILE HA 1 51 ILE MG . . 3.190 2.636 2.539 2.796 . 0 0 "[ . 1 . 2]" 1
1152 1 51 ILE HA 1 52 VAL H . . 2.700 2.106 1.963 2.220 . 0 0 "[ . 1 . 2]" 1
1153 1 51 ILE HA 1 52 VAL HA . . 4.450 4.429 4.321 4.519 0.069 20 0 "[ . 1 . 2]" 1
1154 1 51 ILE HA 1 52 VAL HB . . 4.860 4.502 4.002 4.988 0.128 12 0 "[ . 1 . 2]" 1
1155 1 51 ILE HA 1 52 VAL QG . . 4.470 3.525 2.974 3.943 . 0 0 "[ . 1 . 2]" 1
1156 1 51 ILE HA 1 58 PHE HB2 . . 5.170 5.325 5.026 5.716 0.546 8 3 "[ * . + 1 - 2]" 1
1157 1 51 ILE HA 1 59 PHE HA . . 3.360 2.607 2.369 2.816 . 0 0 "[ . 1 . 2]" 1
1158 1 51 ILE HA 1 59 PHE QD . . 3.890 2.421 2.235 2.595 . 0 0 "[ . 1 . 2]" 1
1159 1 51 ILE HA 1 60 PHE H . . 4.480 4.159 3.854 4.516 0.036 10 0 "[ . 1 . 2]" 1
1160 1 51 ILE HA 1 60 PHE QD . . 5.420 5.381 4.846 5.546 0.126 3 0 "[ . 1 . 2]" 1
1161 1 51 ILE HB 1 52 VAL H . . 4.610 4.199 3.951 4.398 . 0 0 "[ . 1 . 2]" 1
1162 1 51 ILE HB 1 52 VAL HA . . 5.310 5.014 4.674 5.276 . 0 0 "[ . 1 . 2]" 1
1163 1 51 ILE MD 1 51 ILE MG . . 2.750 2.101 2.002 2.146 . 0 0 "[ . 1 . 2]" 1
1164 1 51 ILE MD 1 52 VAL H . . 5.400 3.490 3.162 4.691 . 0 0 "[ . 1 . 2]" 1
1165 1 51 ILE MD 1 59 PHE HA . . 4.770 3.322 2.805 4.907 0.137 19 0 "[ . 1 . 2]" 1
1166 1 51 ILE MD 1 59 PHE HB2 . . 4.870 2.494 2.149 4.224 . 0 0 "[ . 1 . 2]" 1
1167 1 51 ILE MD 1 59 PHE HB3 . . 5.420 3.960 3.536 5.543 0.123 19 0 "[ . 1 . 2]" 1
1168 1 51 ILE MD 1 59 PHE QD . . 3.710 2.401 2.171 3.465 . 0 0 "[ . 1 . 2]" 1
1169 1 51 ILE MD 1 59 PHE QE . . 5.090 3.551 3.283 3.895 . 0 0 "[ . 1 . 2]" 1
1170 1 51 ILE MD 1 77 LEU QD . . 3.080 2.377 1.994 2.968 . 0 0 "[ . 1 . 2]" 1
1171 1 51 ILE QG 1 52 VAL H . . 5.110 4.430 3.680 4.563 . 0 0 "[ . 1 . 2]" 1
1172 1 51 ILE QG 1 59 PHE HA . . 5.500 4.312 3.310 4.739 . 0 0 "[ . 1 . 2]" 1
1173 1 51 ILE QG 1 59 PHE QD . . 3.260 2.418 1.981 2.774 . 0 0 "[ . 1 . 2]" 1
1174 1 51 ILE QG 1 59 PHE QE . . 4.240 2.678 2.406 2.830 . 0 0 "[ . 1 . 2]" 1
1175 1 51 ILE QG 1 77 LEU QD . . 4.350 3.099 2.230 3.670 . 0 0 "[ . 1 . 2]" 1
1176 1 51 ILE MG 1 52 VAL H . . 3.400 2.643 2.236 3.033 . 0 0 "[ . 1 . 2]" 1
1177 1 51 ILE MG 1 52 VAL HA . . 4.010 3.508 3.225 3.846 . 0 0 "[ . 1 . 2]" 1
1178 1 51 ILE MG 1 53 ASP H . . 4.210 3.471 2.415 4.304 0.094 8 0 "[ . 1 . 2]" 1
1179 1 51 ILE MG 1 53 ASP QB . . 4.090 3.373 2.853 3.899 . 0 0 "[ . 1 . 2]" 1
1180 1 51 ILE MG 1 57 ARG HA . . 5.200 4.480 3.709 5.224 0.024 8 0 "[ . 1 . 2]" 1
1181 1 51 ILE MG 1 57 ARG HG2 . . 5.500 4.182 3.000 5.579 0.079 17 0 "[ . 1 . 2]" 1
1182 1 51 ILE MG 1 59 PHE HA . . 4.830 4.608 4.221 4.943 0.113 10 0 "[ . 1 . 2]" 1
1183 1 52 VAL H 1 52 VAL HB . . 3.580 2.867 2.444 3.678 0.098 17 0 "[ . 1 . 2]" 1
1184 1 52 VAL H 1 52 VAL QG . . 3.700 2.749 2.059 3.063 . 0 0 "[ . 1 . 2]" 1
1185 1 52 VAL H 1 53 ASP H . . 4.210 3.985 3.492 4.247 0.037 2 0 "[ . 1 . 2]" 1
1186 1 52 VAL H 1 58 PHE H . . 4.100 3.230 2.867 3.789 . 0 0 "[ . 1 . 2]" 1
1187 1 52 VAL H 1 58 PHE HB2 . . 4.550 3.700 3.284 4.099 . 0 0 "[ . 1 . 2]" 1
1188 1 52 VAL H 1 59 PHE HA . . 4.140 3.430 3.213 3.710 . 0 0 "[ . 1 . 2]" 1
1189 1 52 VAL H 1 59 PHE QD . . 5.480 4.325 4.061 4.563 . 0 0 "[ . 1 . 2]" 1
1190 1 52 VAL H 1 60 PHE QE . . 5.300 5.219 4.698 5.637 0.337 14 0 "[ . 1 . 2]" 1
1191 1 52 VAL HA 1 52 VAL QG . . 3.140 2.229 2.051 2.608 . 0 0 "[ . 1 . 2]" 1
1192 1 52 VAL HA 1 53 ASP H . . 2.720 2.199 2.033 2.351 . 0 0 "[ . 1 . 2]" 1
1193 1 52 VAL HA 1 53 ASP QB . . 4.940 4.185 3.917 4.612 . 0 0 "[ . 1 . 2]" 1
1194 1 52 VAL HA 1 60 PHE QD . . 5.500 5.438 5.228 5.608 0.108 17 0 "[ . 1 . 2]" 1
1195 1 52 VAL HB 1 58 PHE H . . 4.690 3.783 2.635 4.835 0.145 13 0 "[ . 1 . 2]" 1
1196 1 52 VAL HB 1 58 PHE HB3 . . 5.040 3.783 2.834 5.176 0.136 17 0 "[ . 1 . 2]" 1
1197 1 52 VAL HB 1 58 PHE QD . . 5.110 3.999 3.242 5.060 . 0 0 "[ . 1 . 2]" 1
1198 1 52 VAL HB 1 60 PHE QD . . 3.850 3.484 2.912 3.979 0.129 13 0 "[ . 1 . 2]" 1
1199 1 52 VAL HB 1 60 PHE QE . . 2.780 2.800 2.353 3.328 0.548 17 1 "[ . 1 . + 2]" 1
1200 1 52 VAL HB 1 60 PHE HZ . . 4.950 4.781 4.459 5.097 0.147 17 0 "[ . 1 . 2]" 1
1201 1 52 VAL QG 1 53 ASP H . . 3.670 3.072 2.565 3.494 . 0 0 "[ . 1 . 2]" 1
1202 1 52 VAL QG 1 53 ASP HA . . 4.910 3.860 3.187 4.333 . 0 0 "[ . 1 . 2]" 1
1203 1 52 VAL QG 1 53 ASP QB . . 5.350 4.365 4.121 4.655 . 0 0 "[ . 1 . 2]" 1
1204 1 52 VAL QG 1 54 TYR H . . 4.780 3.109 2.768 3.705 . 0 0 "[ . 1 . 2]" 1
1205 1 52 VAL QG 1 54 TYR HA . . 5.110 4.418 4.081 4.748 . 0 0 "[ . 1 . 2]" 1
1206 1 52 VAL QG 1 54 TYR HB2 . . 3.560 2.998 2.350 3.644 0.084 2 0 "[ . 1 . 2]" 1
1207 1 52 VAL QG 1 54 TYR HB3 . . 3.740 2.508 2.181 2.887 . 0 0 "[ . 1 . 2]" 1
1208 1 52 VAL QG 1 58 PHE H . . 5.000 3.295 2.407 4.196 . 0 0 "[ . 1 . 2]" 1
1209 1 52 VAL QG 1 58 PHE QD . . 4.760 2.617 2.075 3.198 . 0 0 "[ . 1 . 2]" 1
1210 1 52 VAL QG 1 60 PHE H . . 5.320 3.311 2.741 4.113 . 0 0 "[ . 1 . 2]" 1
1211 1 52 VAL QG 1 60 PHE HB2 . . 5.170 3.876 3.539 4.245 . 0 0 "[ . 1 . 2]" 1
1212 1 52 VAL QG 1 60 PHE QD . . 2.570 2.187 1.995 2.514 . 0 0 "[ . 1 . 2]" 1
1213 1 52 VAL QG 1 60 PHE QE . . 3.120 2.009 1.901 2.390 . 0 0 "[ . 1 . 2]" 1
1214 1 53 ASP H 1 53 ASP QB . . 3.330 2.389 2.084 2.804 . 0 0 "[ . 1 . 2]" 1
1215 1 53 ASP H 1 58 PHE H . . 4.840 4.777 4.479 4.888 0.048 6 0 "[ . 1 . 2]" 1
1216 1 53 ASP HA 1 54 TYR H . . 2.900 2.274 2.119 2.465 . 0 0 "[ . 1 . 2]" 1
1217 1 53 ASP HA 1 54 TYR HA . . 5.000 4.360 4.250 4.468 . 0 0 "[ . 1 . 2]" 1
1218 1 53 ASP HA 1 54 TYR HB2 . . 5.050 4.875 4.687 5.057 0.007 13 0 "[ . 1 . 2]" 1
1219 1 53 ASP HA 1 56 VAL H . . 5.500 5.238 4.336 5.588 0.088 19 0 "[ . 1 . 2]" 1
1220 1 53 ASP HA 1 57 ARG HA . . 3.000 2.513 2.168 3.026 0.026 6 0 "[ . 1 . 2]" 1
1221 1 53 ASP HA 1 57 ARG HG2 . . 4.690 3.604 2.762 4.804 0.114 20 0 "[ . 1 . 2]" 1
1222 1 53 ASP HA 1 57 ARG HG3 . . 4.500 3.645 2.164 4.610 0.110 17 0 "[ . 1 . 2]" 1
1223 1 53 ASP HA 1 58 PHE H . . 3.760 3.480 3.034 3.803 0.043 16 0 "[ . 1 . 2]" 1
1224 1 53 ASP QB 1 54 TYR H . . 4.650 4.020 3.828 4.116 . 0 0 "[ . 1 . 2]" 1
1225 1 53 ASP QB 1 57 ARG HA . . 4.500 4.092 3.266 4.440 . 0 0 "[ . 1 . 2]" 1
1226 1 53 ASP QB 1 57 ARG HG2 . . 5.080 3.791 2.519 5.015 . 0 0 "[ . 1 . 2]" 1
1227 1 53 ASP QB 1 57 ARG HG3 . . 4.890 4.063 2.905 4.974 0.084 10 0 "[ . 1 . 2]" 1
1228 1 54 TYR H 1 54 TYR HB2 . . 4.090 3.458 3.226 3.610 . 0 0 "[ . 1 . 2]" 1
1229 1 54 TYR H 1 54 TYR HB3 . . 3.980 2.971 2.832 3.118 . 0 0 "[ . 1 . 2]" 1
1230 1 54 TYR H 1 55 GLY H . . 3.880 3.623 3.372 3.908 0.028 9 0 "[ . 1 . 2]" 1
1231 1 54 TYR H 1 56 VAL H . . 4.020 3.442 2.713 4.047 0.027 5 0 "[ . 1 . 2]" 1
1232 1 54 TYR H 1 57 ARG HA . . 3.660 3.347 2.888 3.724 0.064 6 0 "[ . 1 . 2]" 1
1233 1 54 TYR H 1 58 PHE H . . 3.860 3.650 3.258 3.912 0.052 2 0 "[ . 1 . 2]" 1
1234 1 54 TYR H 1 58 PHE QD . . 5.360 3.676 3.254 4.136 . 0 0 "[ . 1 . 2]" 1
1235 1 54 TYR HA 1 54 TYR QD . . 3.040 2.818 2.648 3.016 . 0 0 "[ . 1 . 2]" 1
1236 1 54 TYR HA 1 54 TYR QE . . 4.530 4.671 4.450 4.858 0.328 13 0 "[ . 1 . 2]" 1
1237 1 54 TYR HA 1 55 GLY H . . 2.900 2.218 2.159 2.286 . 0 0 "[ . 1 . 2]" 1
1238 1 54 TYR HB2 1 55 GLY H . . 4.840 4.525 4.356 4.630 . 0 0 "[ . 1 . 2]" 1
1239 1 54 TYR HB3 1 55 GLY H . . 4.920 4.521 4.462 4.590 . 0 0 "[ . 1 . 2]" 1
1240 1 54 TYR HB3 1 56 VAL H . . 5.500 4.513 4.224 4.902 . 0 0 "[ . 1 . 2]" 1
1241 1 54 TYR QD 1 58 PHE QE . . 4.030 3.622 2.792 4.173 0.143 13 0 "[ . 1 . 2]" 1
1242 1 55 GLY H 1 56 VAL H . . 4.000 3.641 3.360 3.945 . 0 0 "[ . 1 . 2]" 1
1243 1 55 GLY H 1 56 VAL QG . . 5.500 5.045 4.532 5.261 . 0 0 "[ . 1 . 2]" 1
1244 1 55 GLY HA2 1 56 VAL H . . 3.580 3.577 3.434 3.667 0.087 15 0 "[ . 1 . 2]" 1
1245 1 55 GLY HA3 1 56 VAL H . . 3.230 2.559 2.235 2.859 . 0 0 "[ . 1 . 2]" 1
1246 1 55 GLY HA3 1 56 VAL QG . . 4.770 3.492 2.757 4.003 . 0 0 "[ . 1 . 2]" 1
1247 1 56 VAL H 1 56 VAL HB . . 3.660 2.703 2.094 3.185 . 0 0 "[ . 1 . 2]" 1
1248 1 56 VAL H 1 56 VAL QG . . 3.620 2.633 1.712 3.163 . 0 0 "[ . 1 . 2]" 1
1249 1 56 VAL H 1 57 ARG H . . 4.860 4.209 2.375 4.390 . 0 0 "[ . 1 . 2]" 1
1250 1 56 VAL H 1 58 PHE QD . . 3.840 3.875 3.790 3.913 0.073 20 0 "[ . 1 . 2]" 1
1251 1 56 VAL H 1 58 PHE QE . . 4.080 3.291 2.402 3.710 . 0 0 "[ . 1 . 2]" 1
1252 1 56 VAL HA 1 56 VAL QG . . 3.170 2.274 2.019 2.594 . 0 0 "[ . 1 . 2]" 1
1253 1 56 VAL HA 1 57 ARG H . . 2.880 2.305 2.158 2.966 0.086 5 0 "[ . 1 . 2]" 1
1254 1 56 VAL HA 1 57 ARG HA . . 4.820 4.460 4.255 4.953 0.133 5 0 "[ . 1 . 2]" 1
1255 1 56 VAL HA 1 57 ARG HB2 . . 4.750 4.359 4.020 4.417 . 0 0 "[ . 1 . 2]" 1
1256 1 56 VAL HB 1 57 ARG H . . 4.580 3.984 3.509 4.513 . 0 0 "[ . 1 . 2]" 1
1257 1 56 VAL QG 1 57 ARG H . . 3.440 2.469 2.114 3.413 . 0 0 "[ . 1 . 2]" 1
1258 1 56 VAL QG 1 57 ARG HA . . 5.240 3.953 3.596 4.416 . 0 0 "[ . 1 . 2]" 1
1259 1 56 VAL QG 1 58 PHE H . . 5.160 3.908 3.273 4.625 . 0 0 "[ . 1 . 2]" 1
1260 1 56 VAL QG 1 58 PHE HA . . 3.720 3.378 2.841 3.797 0.077 4 0 "[ . 1 . 2]" 1
1261 1 56 VAL QG 1 58 PHE QD . . 3.530 2.810 2.285 3.168 . 0 0 "[ . 1 . 2]" 1
1262 1 56 VAL QG 1 58 PHE QE . . 3.350 2.383 1.730 2.862 . 0 0 "[ . 1 . 2]" 1
1263 1 56 VAL QG 1 58 PHE HZ . . 3.760 2.747 1.905 3.211 . 0 0 "[ . 1 . 2]" 1
1264 1 57 ARG H 1 57 ARG HB2 . . 3.370 2.315 2.136 3.431 0.061 5 0 "[ . 1 . 2]" 1
1265 1 57 ARG H 1 57 ARG HB3 . . 4.020 3.375 2.310 4.099 0.079 5 0 "[ . 1 . 2]" 1
1266 1 57 ARG H 1 57 ARG HD2 . . 5.500 4.344 2.633 5.300 . 0 0 "[ . 1 . 2]" 1
1267 1 57 ARG H 1 57 ARG HG2 . . 4.560 4.098 3.121 4.641 0.081 5 0 "[ . 1 . 2]" 1
1268 1 57 ARG H 1 57 ARG HG3 . . 4.330 3.352 2.326 4.362 0.032 2 0 "[ . 1 . 2]" 1
1269 1 57 ARG H 1 58 PHE H . . 4.810 4.285 3.702 4.493 . 0 0 "[ . 1 . 2]" 1
1270 1 57 ARG HA 1 57 ARG HG3 . . 4.200 2.696 2.151 3.641 . 0 0 "[ . 1 . 2]" 1
1271 1 57 ARG HA 1 58 PHE H . . 2.980 2.216 2.170 2.374 . 0 0 "[ . 1 . 2]" 1
1272 1 57 ARG HA 1 58 PHE HB2 . . 4.900 4.547 4.374 4.783 . 0 0 "[ . 1 . 2]" 1
1273 1 57 ARG HB2 1 57 ARG HD3 . . 3.570 2.901 2.096 3.884 0.314 19 0 "[ . 1 . 2]" 1
1274 1 57 ARG HB2 1 58 PHE H . . 4.920 4.583 4.458 4.742 . 0 0 "[ . 1 . 2]" 1
1275 1 58 PHE H 1 58 PHE HB2 . . 3.490 2.426 2.250 2.757 . 0 0 "[ . 1 . 2]" 1
1276 1 58 PHE H 1 58 PHE HB3 . . 3.890 3.644 3.528 3.854 . 0 0 "[ . 1 . 2]" 1
1277 1 58 PHE H 1 58 PHE QD . . 3.150 3.305 2.902 3.629 0.479 6 0 "[ . 1 . 2]" 1
1278 1 58 PHE H 1 59 PHE H . . 5.000 4.559 4.498 4.635 . 0 0 "[ . 1 . 2]" 1
1279 1 58 PHE HA 1 58 PHE QD . . 2.970 2.372 2.066 2.875 . 0 0 "[ . 1 . 2]" 1
1280 1 58 PHE HA 1 59 PHE H . . 3.120 2.358 2.259 2.487 . 0 0 "[ . 1 . 2]" 1
1281 1 58 PHE HB2 1 59 PHE H . . 4.440 3.891 3.668 4.189 . 0 0 "[ . 1 . 2]" 1
1282 1 58 PHE HB2 1 60 PHE QE . . 4.570 3.358 2.788 4.228 . 0 0 "[ . 1 . 2]" 1
1283 1 58 PHE HB3 1 59 PHE H . . 3.910 2.714 2.521 3.076 . 0 0 "[ . 1 . 2]" 1
1284 1 58 PHE HB3 1 60 PHE QE . . 4.940 3.398 2.886 3.928 . 0 0 "[ . 1 . 2]" 1
1285 1 58 PHE QD 1 59 PHE H . . 3.660 3.613 3.082 3.785 0.125 16 0 "[ . 1 . 2]" 1
1286 1 59 PHE H 1 59 PHE HB2 . . 4.000 3.298 3.154 3.490 . 0 0 "[ . 1 . 2]" 1
1287 1 59 PHE H 1 59 PHE HB3 . . 3.790 2.892 2.775 3.020 . 0 0 "[ . 1 . 2]" 1
1288 1 59 PHE H 1 60 PHE H . . 4.910 3.725 3.546 3.859 . 0 0 "[ . 1 . 2]" 1
1289 1 59 PHE HA 1 59 PHE QD . . 3.570 2.388 2.140 2.860 . 0 0 "[ . 1 . 2]" 1
1290 1 59 PHE HA 1 60 PHE H . . 3.060 2.261 2.151 2.333 . 0 0 "[ . 1 . 2]" 1
1291 1 59 PHE HA 1 60 PHE HA . . 4.840 4.507 4.437 4.580 . 0 0 "[ . 1 . 2]" 1
1292 1 59 PHE HB2 1 60 PHE H . . 5.230 4.570 4.430 4.671 . 0 0 "[ . 1 . 2]" 1
1293 1 59 PHE HB2 1 74 LEU QD . . 4.940 4.193 3.481 4.865 . 0 0 "[ . 1 . 2]" 1
1294 1 59 PHE HB3 1 74 LEU QD . . 4.560 3.630 2.996 4.335 . 0 0 "[ . 1 . 2]" 1
1295 1 59 PHE QD 1 60 PHE H . . 5.330 3.879 3.218 4.410 . 0 0 "[ . 1 . 2]" 1
1296 1 59 PHE QD 1 70 ILE MD . . 3.780 3.649 2.743 4.458 0.678 11 1 "[ . 1+ . 2]" 1
1297 1 59 PHE QD 1 74 LEU QD . . 3.640 2.636 2.054 3.355 . 0 0 "[ . 1 . 2]" 1
1298 1 59 PHE QD 1 77 LEU QD . . 4.460 3.868 3.449 4.307 . 0 0 "[ . 1 . 2]" 1
1299 1 59 PHE QE 1 70 ILE HA . . 4.990 4.525 3.394 5.137 0.147 11 0 "[ . 1 . 2]" 1
1300 1 59 PHE QE 1 70 ILE MD . . 3.630 2.536 1.964 3.612 . 0 0 "[ . 1 . 2]" 1
1301 1 59 PHE QE 1 73 LYS QD . . 4.520 3.881 3.463 4.237 . 0 0 "[ . 1 . 2]" 1
1302 1 59 PHE QE 1 74 LEU QD . . 3.800 3.069 2.213 3.840 0.040 2 0 "[ . 1 . 2]" 1
1303 1 59 PHE QE 1 77 LEU QD . . 3.480 3.614 2.935 4.224 0.744 15 6 "[ * . ** * + - 2]" 1
1304 1 60 PHE H 1 60 PHE HB2 . . 3.450 2.479 2.226 2.628 . 0 0 "[ . 1 . 2]" 1
1305 1 60 PHE H 1 60 PHE HB3 . . 3.920 3.631 3.484 3.703 . 0 0 "[ . 1 . 2]" 1
1306 1 60 PHE H 1 60 PHE QD . . 3.290 2.709 2.390 3.117 . 0 0 "[ . 1 . 2]" 1
1307 1 60 PHE H 1 60 PHE QE . . 4.480 4.472 4.267 4.595 0.115 13 0 "[ . 1 . 2]" 1
1308 1 60 PHE H 1 61 TYR H . . 4.900 4.607 4.545 4.700 . 0 0 "[ . 1 . 2]" 1
1309 1 60 PHE HA 1 60 PHE QD . . 2.730 2.695 2.181 2.838 0.108 4 0 "[ . 1 . 2]" 1
1310 1 60 PHE HA 1 60 PHE QE . . 5.020 4.584 4.253 4.710 . 0 0 "[ . 1 . 2]" 1
1311 1 60 PHE HA 1 61 TYR H . . 2.930 2.250 2.181 2.405 . 0 0 "[ . 1 . 2]" 1
1312 1 60 PHE HA 1 61 TYR HA . . 4.890 4.516 4.469 4.587 . 0 0 "[ . 1 . 2]" 1
1313 1 60 PHE HB2 1 61 TYR H . . 4.950 4.027 3.779 4.235 . 0 0 "[ . 1 . 2]" 1
1314 1 60 PHE HB3 1 61 TYR H . . 4.000 3.050 2.714 3.379 . 0 0 "[ . 1 . 2]" 1
1315 1 60 PHE QD 1 61 TYR H . . 3.980 3.999 3.719 4.106 0.126 5 0 "[ . 1 . 2]" 1
1316 1 61 TYR H 1 61 TYR QD . . 3.770 2.905 2.732 3.186 . 0 0 "[ . 1 . 2]" 1
1317 1 61 TYR H 1 61 TYR QE . . 5.220 4.396 4.199 4.584 . 0 0 "[ . 1 . 2]" 1
1318 1 61 TYR H 1 62 THR H . . 4.890 4.432 4.329 4.509 . 0 0 "[ . 1 . 2]" 1
1319 1 61 TYR HA 1 61 TYR QD . . 4.310 3.773 3.721 3.801 . 0 0 "[ . 1 . 2]" 1
1320 1 61 TYR HA 1 62 THR H . . 3.020 2.532 2.299 2.682 . 0 0 "[ . 1 . 2]" 1
1321 1 61 TYR HA 1 62 THR HA . . 4.350 4.392 4.295 4.457 0.107 3 0 "[ . 1 . 2]" 1
1322 1 61 TYR HA 1 62 THR MG . . 4.230 3.556 3.206 4.016 . 0 0 "[ . 1 . 2]" 1
1323 1 61 TYR HB2 1 62 THR H . . 3.440 2.302 2.071 2.473 . 0 0 "[ . 1 . 2]" 1
1324 1 61 TYR HB2 1 70 ILE MD . . 5.180 2.239 2.083 2.661 . 0 0 "[ . 1 . 2]" 1
1325 1 61 TYR HB2 1 70 ILE MG . . 4.630 4.156 3.837 4.440 . 0 0 "[ . 1 . 2]" 1
1326 1 61 TYR HB3 1 62 THR H . . 3.880 3.763 3.565 3.883 0.003 16 0 "[ . 1 . 2]" 1
1327 1 61 TYR HB3 1 70 ILE MD . . 4.640 2.347 2.068 2.550 . 0 0 "[ . 1 . 2]" 1
1328 1 61 TYR HB3 1 70 ILE HG13 . . 5.420 3.933 3.477 4.469 . 0 0 "[ . 1 . 2]" 1
1329 1 61 TYR HB3 1 70 ILE MG . . 4.860 4.629 4.242 4.994 0.134 15 0 "[ . 1 . 2]" 1
1330 1 61 TYR QD 1 62 THR H . . 4.470 2.799 2.368 3.164 . 0 0 "[ . 1 . 2]" 1
1331 1 61 TYR QD 1 62 THR HA . . 4.400 4.036 3.679 4.316 . 0 0 "[ . 1 . 2]" 1
1332 1 61 TYR QD 1 70 ILE MD . . 4.330 3.063 2.912 3.318 . 0 0 "[ . 1 . 2]" 1
1333 1 61 TYR QD 1 70 ILE HG13 . . 5.320 2.749 2.337 3.276 . 0 0 "[ . 1 . 2]" 1
1334 1 61 TYR QD 1 70 ILE MG . . 3.710 3.455 3.113 3.833 0.123 15 0 "[ . 1 . 2]" 1
1335 1 61 TYR QE 1 63 SER HA . . 3.030 3.112 2.730 3.164 0.134 7 0 "[ . 1 . 2]" 1
1336 1 61 TYR QE 1 70 ILE MD . . 4.070 4.109 3.836 4.232 0.162 7 0 "[ . 1 . 2]" 1
1337 1 61 TYR QE 1 70 ILE MG . . 4.400 3.573 3.107 3.996 . 0 0 "[ . 1 . 2]" 1
1338 1 61 TYR QE 1 86 ILE MD . . 3.960 2.659 2.149 4.075 0.115 19 0 "[ . 1 . 2]" 1
1339 1 61 TYR QE 1 86 ILE MG . . 4.730 3.203 2.725 4.167 . 0 0 "[ . 1 . 2]" 1
1340 1 62 THR H 1 62 THR MG . . 3.230 2.877 2.281 3.336 0.106 9 0 "[ . 1 . 2]" 1
1341 1 62 THR H 1 64 LYS H . . 5.190 5.073 4.635 5.216 0.026 4 0 "[ . 1 . 2]" 1
1342 1 62 THR H 1 65 GLU H . . 4.740 4.250 3.764 4.504 . 0 0 "[ . 1 . 2]" 1
1343 1 62 THR H 1 65 GLU QB . . 4.120 3.337 2.667 3.767 . 0 0 "[ . 1 . 2]" 1
1344 1 62 THR H 1 70 ILE MG . . 5.360 5.388 5.320 5.414 0.054 9 0 "[ . 1 . 2]" 1
1345 1 62 THR HA 1 62 THR MG . . 2.670 2.277 2.116 2.525 . 0 0 "[ . 1 . 2]" 1
1346 1 62 THR HB 1 63 SER H . . 3.580 3.237 2.731 3.843 0.263 17 0 "[ . 1 . 2]" 1
1347 1 62 THR HB 1 64 LYS H . . 3.450 2.764 2.405 3.159 . 0 0 "[ . 1 . 2]" 1
1348 1 62 THR HB 1 65 GLU H . . 3.940 3.400 2.895 4.028 0.088 7 0 "[ . 1 . 2]" 1
1349 1 62 THR MG 1 63 SER H . . 4.230 3.753 3.295 4.278 0.048 13 0 "[ . 1 . 2]" 1
1350 1 62 THR MG 1 64 LYS H . . 4.280 4.129 3.774 4.410 0.130 3 0 "[ . 1 . 2]" 1
1351 1 62 THR MG 1 65 GLU H . . 4.780 4.615 4.179 4.913 0.133 10 0 "[ . 1 . 2]" 1
1352 1 63 SER H 1 63 SER QB . . 3.590 2.513 2.084 2.909 . 0 0 "[ . 1 . 2]" 1
1353 1 63 SER H 1 64 LYS H . . 3.420 2.592 2.286 2.761 . 0 0 "[ . 1 . 2]" 1
1354 1 63 SER H 1 64 LYS HG3 . . 5.500 4.682 3.820 5.941 0.441 3 0 "[ . 1 . 2]" 1
1355 1 63 SER H 1 65 GLU H . . 4.630 4.366 4.108 4.640 0.010 7 0 "[ . 1 . 2]" 1
1356 1 63 SER QB 1 64 LYS H . . 4.170 3.562 3.115 3.762 . 0 0 "[ . 1 . 2]" 1
1357 1 63 SER QB 1 90 THR HB . . 4.340 3.418 2.392 3.992 . 0 0 "[ . 1 . 2]" 1
1358 1 63 SER QB 1 90 THR MG . . 5.380 4.190 3.504 4.719 . 0 0 "[ . 1 . 2]" 1
1359 1 64 LYS H 1 64 LYS HB2 . . 3.250 2.497 2.288 3.608 0.358 5 0 "[ . 1 . 2]" 1
1360 1 64 LYS H 1 64 LYS HB3 . . 3.630 3.539 2.393 3.656 0.026 20 0 "[ . 1 . 2]" 1
1361 1 64 LYS H 1 64 LYS QD . . 4.560 3.916 1.821 4.565 0.005 10 0 "[ . 1 . 2]" 1
1362 1 64 LYS H 1 64 LYS QE . . 4.540 3.953 3.330 4.624 0.084 8 0 "[ . 1 . 2]" 1
1363 1 64 LYS H 1 64 LYS HG2 . . 4.010 3.262 2.266 3.964 . 0 0 "[ . 1 . 2]" 1
1364 1 64 LYS H 1 64 LYS HG3 . . 3.750 2.841 2.141 3.761 0.011 8 0 "[ . 1 . 2]" 1
1365 1 64 LYS H 1 65 GLU H . . 2.980 2.661 2.437 2.816 . 0 0 "[ . 1 . 2]" 1
1366 1 64 LYS H 1 65 GLU QB . . 4.810 4.384 4.056 4.755 . 0 0 "[ . 1 . 2]" 1
1367 1 64 LYS HA 1 64 LYS HB3 . . 2.980 2.490 2.250 2.621 . 0 0 "[ . 1 . 2]" 1
1368 1 64 LYS HA 1 64 LYS QD . . 3.740 3.596 2.050 3.871 0.131 5 0 "[ . 1 . 2]" 1
1369 1 64 LYS HA 1 64 LYS QE . . 4.860 4.084 1.869 4.985 0.125 2 0 "[ . 1 . 2]" 1
1370 1 64 LYS HA 1 64 LYS HG2 . . 3.630 2.713 2.183 3.765 0.135 5 0 "[ . 1 . 2]" 1
1371 1 64 LYS HA 1 64 LYS HG3 . . 3.770 3.172 2.308 3.745 . 0 0 "[ . 1 . 2]" 1
1372 1 64 LYS HB2 1 65 GLU H . . 3.910 3.184 2.694 4.002 0.092 5 0 "[ . 1 . 2]" 1
1373 1 64 LYS HB3 1 65 GLU H . . 4.180 3.967 3.776 4.192 0.012 11 0 "[ . 1 . 2]" 1
1374 1 64 LYS HB3 1 65 GLU HA . . 5.040 4.512 4.200 5.498 0.458 5 0 "[ . 1 . 2]" 1
1375 1 64 LYS HG3 1 65 GLU H . . 4.910 4.739 2.124 5.473 0.563 8 1 "[ . + 1 . 2]" 1
1376 1 65 GLU H 1 65 GLU QB . . 2.950 2.138 1.967 2.252 . 0 0 "[ . 1 . 2]" 1
1377 1 65 GLU H 1 65 GLU QG . . 4.790 3.904 3.683 4.050 . 0 0 "[ . 1 . 2]" 1
1378 1 65 GLU H 1 66 PRO HD3 . . 5.000 4.826 4.716 4.930 . 0 0 "[ . 1 . 2]" 1
1379 1 65 GLU HA 1 66 PRO HD2 . . 3.220 2.946 2.612 3.202 . 0 0 "[ . 1 . 2]" 1
1380 1 65 GLU HA 1 66 PRO HD3 . . 2.990 2.103 1.997 2.219 . 0 0 "[ . 1 . 2]" 1
1381 1 65 GLU QB 1 66 PRO HD2 . . 5.240 3.308 2.524 4.048 . 0 0 "[ . 1 . 2]" 1
1382 1 65 GLU QB 1 69 SER H . . 5.400 5.353 4.652 6.142 0.742 3 3 "[ *+ . 1 . -2]" 1
1383 1 65 GLU QB 1 70 ILE HG12 . . 5.330 2.734 2.398 3.464 . 0 0 "[ . 1 . 2]" 1
1384 1 65 GLU QB 1 70 ILE MG . . 4.250 3.740 3.530 3.890 . 0 0 "[ . 1 . 2]" 1
1385 1 65 GLU QG 1 66 PRO HD2 . . 3.820 2.249 2.041 2.902 . 0 0 "[ . 1 . 2]" 1
1386 1 65 GLU QG 1 66 PRO HD3 . . 4.050 2.667 2.473 3.285 . 0 0 "[ . 1 . 2]" 1
1387 1 65 GLU QG 1 69 SER HA . . 5.060 5.499 4.741 6.335 1.275 14 10 "[ * .- **** +*** 2]" 1
1388 1 65 GLU QG 1 69 SER QB . . 3.740 2.938 2.282 3.663 . 0 0 "[ . 1 . 2]" 1
1389 1 65 GLU QG 1 70 ILE H . . 4.580 3.733 2.999 4.464 . 0 0 "[ . 1 . 2]" 1
1390 1 65 GLU QG 1 70 ILE HG12 . . 4.250 2.587 2.126 3.137 . 0 0 "[ . 1 . 2]" 1
1391 1 65 GLU QG 1 70 ILE HG13 . . 5.180 3.564 2.723 4.064 . 0 0 "[ . 1 . 2]" 1
1392 1 65 GLU QG 1 70 ILE MG . . 5.500 4.603 4.045 5.075 . 0 0 "[ . 1 . 2]" 1
1393 1 66 PRO HA 1 67 VAL H . . 2.730 2.232 2.148 2.293 . 0 0 "[ . 1 . 2]" 1
1394 1 66 PRO HA 1 67 VAL HA . . 4.170 4.479 4.427 4.534 0.364 5 0 "[ . 1 . 2]" 1
1395 1 66 PRO HA 1 67 VAL HB . . 4.770 4.759 4.526 4.881 0.111 18 0 "[ . 1 . 2]" 1
1396 1 66 PRO HA 1 67 VAL QG . . 4.240 3.701 3.274 3.875 . 0 0 "[ . 1 . 2]" 1
1397 1 66 PRO HA 1 68 ALA H . . 3.830 3.922 3.765 3.951 0.121 20 0 "[ . 1 . 2]" 1
1398 1 66 PRO HA 1 91 HIS HD2 . . 3.050 3.937 3.195 4.156 1.106 13 19 "[**-**** ****+*******]" 1
1399 1 66 PRO HB2 1 67 VAL H . . 3.870 3.864 3.705 3.945 0.075 12 0 "[ . 1 . 2]" 1
1400 1 66 PRO HB2 1 68 ALA H . . 4.030 3.113 2.840 3.524 . 0 0 "[ . 1 . 2]" 1
1401 1 66 PRO HB2 1 68 ALA MB . . 4.750 2.704 2.382 3.176 . 0 0 "[ . 1 . 2]" 1
1402 1 66 PRO HB2 1 69 SER H . . 4.050 1.914 1.753 2.243 . 0 0 "[ . 1 . 2]" 1
1403 1 66 PRO HB3 1 67 VAL H . . 4.160 3.702 3.463 3.953 . 0 0 "[ . 1 . 2]" 1
1404 1 66 PRO HB3 1 67 VAL QG . . 5.500 4.887 3.361 5.174 . 0 0 "[ . 1 . 2]" 1
1405 1 66 PRO HB3 1 68 ALA H . . 4.070 3.613 3.240 4.064 . 0 0 "[ . 1 . 2]" 1
1406 1 66 PRO HB3 1 68 ALA MB . . 4.450 3.358 2.877 4.136 . 0 0 "[ . 1 . 2]" 1
1407 1 66 PRO HB3 1 69 SER H . . 4.360 3.606 3.307 4.000 . 0 0 "[ . 1 . 2]" 1
1408 1 66 PRO HD2 1 69 SER QB . . 4.350 2.157 1.944 2.515 . 0 0 "[ . 1 . 2]" 1
1409 1 66 PRO HD3 1 69 SER QB . . 4.770 3.665 3.372 3.984 . 0 0 "[ . 1 . 2]" 1
1410 1 66 PRO HG2 1 69 SER H . . 4.990 3.591 2.874 3.828 . 0 0 "[ . 1 . 2]" 1
1411 1 66 PRO HG3 1 69 SER H . . 4.620 4.708 4.366 4.740 0.120 3 0 "[ . 1 . 2]" 1
1412 1 66 PRO HG3 1 69 SER QB . . 5.130 3.945 3.515 4.259 . 0 0 "[ . 1 . 2]" 1
1413 1 67 VAL H 1 67 VAL HB . . 3.160 2.668 2.466 2.792 . 0 0 "[ . 1 . 2]" 1
1414 1 67 VAL H 1 67 VAL QG . . 3.060 1.976 1.858 2.085 . 0 0 "[ . 1 . 2]" 1
1415 1 67 VAL H 1 68 ALA H . . 3.250 2.875 2.702 2.970 . 0 0 "[ . 1 . 2]" 1
1416 1 67 VAL H 1 68 ALA MB . . 5.270 4.456 4.260 4.625 . 0 0 "[ . 1 . 2]" 1
1417 1 67 VAL H 1 69 SER H . . 4.990 4.542 4.375 4.708 . 0 0 "[ . 1 . 2]" 1
1418 1 67 VAL H 1 70 ILE MG . . 5.030 4.681 4.299 4.965 . 0 0 "[ . 1 . 2]" 1
1419 1 67 VAL H 1 91 HIS HD2 . . 3.170 3.226 2.281 3.283 0.113 5 0 "[ . 1 . 2]" 1
1420 1 67 VAL H 1 93 PHE QE . . 5.250 4.701 4.067 5.209 . 0 0 "[ . 1 . 2]" 1
1421 1 67 VAL HA 1 67 VAL QG . . 2.980 2.186 2.131 2.518 . 0 0 "[ . 1 . 2]" 1
1422 1 67 VAL HA 1 69 SER H . . 4.590 4.592 4.292 4.697 0.107 8 0 "[ . 1 . 2]" 1
1423 1 67 VAL HA 1 70 ILE H . . 3.860 3.668 3.439 3.810 . 0 0 "[ . 1 . 2]" 1
1424 1 67 VAL HA 1 70 ILE HA . . 5.500 5.590 5.374 5.739 0.239 17 0 "[ . 1 . 2]" 1
1425 1 67 VAL HA 1 70 ILE HB . . 3.190 3.248 3.060 3.303 0.113 8 0 "[ . 1 . 2]" 1
1426 1 67 VAL HA 1 70 ILE MG . . 3.180 2.383 2.067 2.631 . 0 0 "[ . 1 . 2]" 1
1427 1 67 VAL HA 1 86 ILE MG . . 4.210 3.353 2.931 3.908 . 0 0 "[ . 1 . 2]" 1
1428 1 67 VAL HB 1 68 ALA H . . 3.300 2.691 2.480 3.377 0.077 8 0 "[ . 1 . 2]" 1
1429 1 67 VAL HB 1 93 PHE QE . . 3.390 3.347 2.945 3.539 0.149 8 0 "[ . 1 . 2]" 1
1430 1 67 VAL HB 1 93 PHE HZ . . 3.570 3.134 2.553 3.698 0.128 8 0 "[ . 1 . 2]" 1
1431 1 67 VAL QG 1 68 ALA H . . 4.060 3.214 1.580 3.377 . 0 0 "[ . 1 . 2]" 1
1432 1 67 VAL QG 1 68 ALA HA . . 4.130 3.661 2.888 3.946 . 0 0 "[ . 1 . 2]" 1
1433 1 67 VAL QG 1 69 SER H . . 5.500 4.826 4.064 4.983 . 0 0 "[ . 1 . 2]" 1
1434 1 67 VAL QG 1 71 ILE H . . 4.330 3.881 3.651 4.068 . 0 0 "[ . 1 . 2]" 1
1435 1 67 VAL QG 1 71 ILE HG13 . . 4.680 2.713 2.323 2.987 . 0 0 "[ . 1 . 2]" 1
1436 1 67 VAL QG 1 87 GLY H . . 3.730 2.911 2.667 3.233 . 0 0 "[ . 1 . 2]" 1
1437 1 67 VAL QG 1 87 GLY HA2 . . 3.810 2.226 2.055 2.681 . 0 0 "[ . 1 . 2]" 1
1438 1 67 VAL QG 1 87 GLY HA3 . . 3.390 1.960 1.861 2.174 . 0 0 "[ . 1 . 2]" 1
1439 1 67 VAL QG 1 88 TYR H . . 5.500 4.001 3.815 4.431 . 0 0 "[ . 1 . 2]" 1
1440 1 67 VAL QG 1 91 HIS H . . 5.500 4.623 4.120 5.111 . 0 0 "[ . 1 . 2]" 1
1441 1 67 VAL QG 1 91 HIS HA . . 4.210 4.206 4.005 4.295 0.085 1 0 "[ . 1 . 2]" 1
1442 1 67 VAL QG 1 91 HIS HB2 . . 4.080 2.825 2.293 3.458 . 0 0 "[ . 1 . 2]" 1
1443 1 67 VAL QG 1 91 HIS HB3 . . 4.470 2.558 2.227 2.894 . 0 0 "[ . 1 . 2]" 1
1444 1 67 VAL QG 1 91 HIS HD2 . . 2.970 2.494 2.251 3.079 0.109 8 0 "[ . 1 . 2]" 1
1445 1 67 VAL QG 1 93 PHE QD . . 3.370 3.214 3.015 3.438 0.068 8 0 "[ . 1 . 2]" 1
1446 1 67 VAL QG 1 93 PHE QE . . 2.960 2.480 1.997 2.629 . 0 0 "[ . 1 . 2]" 1
1447 1 67 VAL QG 1 93 PHE HZ . . 3.290 2.790 1.845 3.285 . 0 0 "[ . 1 . 2]" 1
1448 1 67 VAL QG 1 101 CYS H . . 5.500 4.935 4.475 5.283 . 0 0 "[ . 1 . 2]" 1
1449 1 67 VAL QG 1 101 CYS HB2 . . 3.660 3.325 2.102 3.647 . 0 0 "[ . 1 . 2]" 1
1450 1 67 VAL QG 1 101 CYS HB3 . . 3.470 2.754 2.154 3.324 . 0 0 "[ . 1 . 2]" 1
1451 1 67 VAL QG 1 102 MET QG . . 4.950 4.502 3.662 4.970 0.020 1 0 "[ . 1 . 2]" 1
1452 1 68 ALA H 1 68 ALA MB . . 2.840 2.224 2.176 2.352 . 0 0 "[ . 1 . 2]" 1
1453 1 68 ALA H 1 69 SER H . . 3.350 2.992 2.754 3.291 . 0 0 "[ . 1 . 2]" 1
1454 1 68 ALA H 1 70 ILE H . . 4.710 4.459 4.316 4.617 . 0 0 "[ . 1 . 2]" 1
1455 1 68 ALA H 1 71 ILE HB . . 4.890 4.913 4.607 5.013 0.123 3 0 "[ . 1 . 2]" 1
1456 1 68 ALA HA 1 70 ILE H . . 5.500 4.868 4.694 5.079 . 0 0 "[ . 1 . 2]" 1
1457 1 68 ALA HA 1 71 ILE H . . 3.860 3.839 3.584 3.955 0.095 18 0 "[ . 1 . 2]" 1
1458 1 68 ALA HA 1 71 ILE HB . . 3.260 2.892 2.495 3.202 . 0 0 "[ . 1 . 2]" 1
1459 1 68 ALA HA 1 71 ILE MD . . 3.760 3.477 2.905 4.157 0.397 18 0 "[ . 1 . 2]" 1
1460 1 68 ALA HA 1 71 ILE HG13 . . 4.910 4.551 4.097 4.995 0.085 18 0 "[ . 1 . 2]" 1
1461 1 68 ALA HA 1 72 THR H . . 4.570 4.092 3.928 4.424 . 0 0 "[ . 1 . 2]" 1
1462 1 68 ALA MB 1 69 SER H . . 3.540 2.465 2.280 2.735 . 0 0 "[ . 1 . 2]" 1
1463 1 68 ALA MB 1 69 SER HA . . 4.780 3.831 3.645 3.959 . 0 0 "[ . 1 . 2]" 1
1464 1 68 ALA MB 1 69 SER QB . . 5.410 3.658 3.469 3.897 . 0 0 "[ . 1 . 2]" 1
1465 1 68 ALA MB 1 70 ILE H . . 5.060 4.624 4.473 4.759 . 0 0 "[ . 1 . 2]" 1
1466 1 68 ALA MB 1 71 ILE H . . 5.320 4.806 4.665 4.899 . 0 0 "[ . 1 . 2]" 1
1467 1 69 SER H 1 69 SER QB . . 3.140 2.229 2.074 2.305 . 0 0 "[ . 1 . 2]" 1
1468 1 69 SER H 1 70 ILE H . . 3.140 2.699 2.484 2.783 . 0 0 "[ . 1 . 2]" 1
1469 1 69 SER H 1 70 ILE HB . . 4.670 4.389 4.199 4.451 . 0 0 "[ . 1 . 2]" 1
1470 1 69 SER H 1 70 ILE MG . . 5.090 4.910 4.654 5.121 0.031 11 0 "[ . 1 . 2]" 1
1471 1 69 SER H 1 71 ILE H . . 4.640 4.139 3.749 4.315 . 0 0 "[ . 1 . 2]" 1
1472 1 69 SER H 1 72 THR H . . 5.330 4.787 4.525 5.126 . 0 0 "[ . 1 . 2]" 1
1473 1 69 SER HA 1 72 THR H . . 3.880 3.471 3.054 3.887 0.007 15 0 "[ . 1 . 2]" 1
1474 1 69 SER HA 1 72 THR HB . . 2.750 2.621 2.164 2.842 0.092 9 0 "[ . 1 . 2]" 1
1475 1 69 SER HA 1 72 THR MG . . 4.800 3.820 3.456 4.057 . 0 0 "[ . 1 . 2]" 1
1476 1 69 SER QB 1 70 ILE H . . 3.830 2.549 2.392 2.856 . 0 0 "[ . 1 . 2]" 1
1477 1 69 SER QB 1 70 ILE HB . . 4.580 3.848 3.507 4.284 . 0 0 "[ . 1 . 2]" 1
1478 1 70 ILE H 1 70 ILE HB . . 2.910 1.919 1.827 1.979 . 0 0 "[ . 1 . 2]" 1
1479 1 70 ILE H 1 70 ILE MD . . 4.580 4.133 4.122 4.141 . 0 0 "[ . 1 . 2]" 1
1480 1 70 ILE H 1 70 ILE HG12 . . 3.580 3.493 3.368 3.659 0.079 5 0 "[ . 1 . 2]" 1
1481 1 70 ILE H 1 70 ILE HG13 . . 3.980 4.160 4.065 4.255 0.275 20 0 "[ . 1 . 2]" 1
1482 1 70 ILE H 1 70 ILE MG . . 3.500 3.047 2.837 3.198 . 0 0 "[ . 1 . 2]" 1
1483 1 70 ILE H 1 71 ILE H . . 3.470 2.790 2.652 2.926 . 0 0 "[ . 1 . 2]" 1
1484 1 70 ILE H 1 72 THR H . . 4.870 4.478 4.168 4.879 0.009 9 0 "[ . 1 . 2]" 1
1485 1 70 ILE HA 1 70 ILE MD . . 3.250 2.148 2.033 2.351 . 0 0 "[ . 1 . 2]" 1
1486 1 70 ILE HA 1 70 ILE HG12 . . 3.410 2.295 2.214 2.363 . 0 0 "[ . 1 . 2]" 1
1487 1 70 ILE HA 1 70 ILE HG13 . . 3.640 3.516 3.459 3.562 . 0 0 "[ . 1 . 2]" 1
1488 1 70 ILE HA 1 73 LYS H . . 4.000 3.296 3.053 3.622 . 0 0 "[ . 1 . 2]" 1
1489 1 70 ILE HA 1 73 LYS QB . . 3.860 3.131 2.495 3.780 . 0 0 "[ . 1 . 2]" 1
1490 1 70 ILE HA 1 73 LYS QD . . 3.820 2.421 1.840 3.635 . 0 0 "[ . 1 . 2]" 1
1491 1 70 ILE HB 1 70 ILE MD . . 3.560 3.216 3.168 3.245 . 0 0 "[ . 1 . 2]" 1
1492 1 70 ILE HB 1 71 ILE H . . 3.490 3.545 3.352 3.612 0.122 3 0 "[ . 1 . 2]" 1
1493 1 70 ILE MD 1 70 ILE MG . . 2.790 2.132 2.036 2.231 . 0 0 "[ . 1 . 2]" 1
1494 1 70 ILE MD 1 71 ILE H . . 4.400 4.356 4.252 4.449 0.049 18 0 "[ . 1 . 2]" 1
1495 1 70 ILE MD 1 71 ILE HA . . 4.490 4.569 4.341 4.629 0.139 14 0 "[ . 1 . 2]" 1
1496 1 70 ILE MD 1 73 LYS H . . 5.160 4.194 3.739 4.858 . 0 0 "[ . 1 . 2]" 1
1497 1 70 ILE MD 1 73 LYS QB . . 5.260 2.960 2.575 4.476 . 0 0 "[ . 1 . 2]" 1
1498 1 70 ILE MD 1 74 LEU H . . 5.070 4.269 3.560 4.595 . 0 0 "[ . 1 . 2]" 1
1499 1 70 ILE MD 1 74 LEU QD . . 4.090 3.312 2.537 4.153 0.063 16 0 "[ . 1 . 2]" 1
1500 1 70 ILE HG12 1 70 ILE MG . . 3.600 3.231 3.203 3.262 . 0 0 "[ . 1 . 2]" 1
1501 1 70 ILE HG13 1 70 ILE MG . . 3.210 2.356 2.292 2.427 . 0 0 "[ . 1 . 2]" 1
1502 1 70 ILE MG 1 71 ILE H . . 4.410 2.572 2.357 2.788 . 0 0 "[ . 1 . 2]" 1
1503 1 71 ILE H 1 71 ILE HB . . 3.030 2.242 2.155 2.330 . 0 0 "[ . 1 . 2]" 1
1504 1 71 ILE H 1 71 ILE MD . . 3.770 3.769 3.440 3.936 0.166 14 0 "[ . 1 . 2]" 1
1505 1 71 ILE H 1 71 ILE HG13 . . 3.500 2.567 2.428 2.747 . 0 0 "[ . 1 . 2]" 1
1506 1 71 ILE H 1 71 ILE MG . . 4.010 3.678 3.614 3.748 . 0 0 "[ . 1 . 2]" 1
1507 1 71 ILE H 1 72 THR H . . 3.430 2.883 2.749 3.107 . 0 0 "[ . 1 . 2]" 1
1508 1 71 ILE H 1 72 THR HB . . 5.170 4.934 4.607 5.171 0.001 11 0 "[ . 1 . 2]" 1
1509 1 71 ILE H 1 74 LEU H . . 5.140 5.090 4.758 5.185 0.045 10 0 "[ . 1 . 2]" 1
1510 1 71 ILE HA 1 71 ILE MD . . 3.750 3.754 3.696 3.821 0.071 9 0 "[ . 1 . 2]" 1
1511 1 71 ILE HA 1 71 ILE HG12 . . 3.210 2.311 2.187 2.485 . 0 0 "[ . 1 . 2]" 1
1512 1 71 ILE HA 1 71 ILE HG13 . . 3.510 2.780 2.637 2.925 . 0 0 "[ . 1 . 2]" 1
1513 1 71 ILE HA 1 71 ILE MG . . 3.220 2.654 2.560 2.806 . 0 0 "[ . 1 . 2]" 1
1514 1 71 ILE HA 1 73 LYS H . . 5.000 4.217 3.950 4.529 . 0 0 "[ . 1 . 2]" 1
1515 1 71 ILE HA 1 74 LEU H . . 3.930 3.401 3.112 3.747 . 0 0 "[ . 1 . 2]" 1
1516 1 71 ILE HA 1 74 LEU QB . . 3.360 2.916 2.558 3.391 0.031 10 0 "[ . 1 . 2]" 1
1517 1 71 ILE HA 1 74 LEU QD . . 3.720 2.412 1.980 3.050 . 0 0 "[ . 1 . 2]" 1
1518 1 71 ILE HA 1 74 LEU HG . . 4.810 3.663 2.648 4.936 0.126 3 0 "[ . 1 . 2]" 1
1519 1 71 ILE HA 1 75 ASN H . . 4.460 4.154 3.743 4.550 0.090 9 0 "[ . 1 . 2]" 1
1520 1 71 ILE HA 1 105 LEU QD . . 3.910 3.287 2.865 4.011 0.101 20 0 "[ . 1 . 2]" 1
1521 1 71 ILE HB 1 71 ILE MD . . 3.400 2.474 2.299 2.550 . 0 0 "[ . 1 . 2]" 1
1522 1 71 ILE HB 1 72 THR H . . 3.460 2.745 2.457 3.028 . 0 0 "[ . 1 . 2]" 1
1523 1 71 ILE MD 1 101 CYS HA . . 5.270 4.015 3.539 4.541 . 0 0 "[ . 1 . 2]" 1
1524 1 71 ILE MD 1 101 CYS HB3 . . 3.850 3.171 2.287 4.536 0.686 12 1 "[ . 1 + . 2]" 1
1525 1 71 ILE MD 1 102 MET H . . 5.230 4.034 3.776 4.377 . 0 0 "[ . 1 . 2]" 1
1526 1 71 ILE MD 1 102 MET HA . . 3.610 2.526 1.882 2.966 . 0 0 "[ . 1 . 2]" 1
1527 1 71 ILE MD 1 104 SER H . . 5.150 3.922 3.279 4.653 . 0 0 "[ . 1 . 2]" 1
1528 1 71 ILE MD 1 105 LEU H . . 4.310 3.596 2.513 4.171 . 0 0 "[ . 1 . 2]" 1
1529 1 71 ILE MD 1 105 LEU HB2 . . 4.640 3.026 2.599 3.531 . 0 0 "[ . 1 . 2]" 1
1530 1 71 ILE MD 1 105 LEU HB3 . . 4.500 4.244 3.262 4.670 0.170 10 0 "[ . 1 . 2]" 1
1531 1 71 ILE MG 1 72 THR H . . 4.050 2.842 2.320 3.456 . 0 0 "[ . 1 . 2]" 1
1532 1 71 ILE MG 1 72 THR HA . . 4.450 3.404 3.122 3.739 . 0 0 "[ . 1 . 2]" 1
1533 1 71 ILE MG 1 73 LYS H . . 5.500 4.928 4.797 5.145 . 0 0 "[ . 1 . 2]" 1
1534 1 71 ILE MG 1 75 ASN H . . 4.750 3.924 3.607 4.185 . 0 0 "[ . 1 . 2]" 1
1535 1 71 ILE MG 1 75 ASN HA . . 5.210 4.888 4.590 5.093 . 0 0 "[ . 1 . 2]" 1
1536 1 71 ILE MG 1 75 ASN QD . . 3.500 1.928 1.751 2.176 . 0 0 "[ . 1 . 2]" 1
1537 1 71 ILE MG 1 104 SER H . . 5.280 4.123 3.781 4.639 . 0 0 "[ . 1 . 2]" 1
1538 1 71 ILE MG 1 104 SER HA . . 5.340 4.317 3.964 4.951 . 0 0 "[ . 1 . 2]" 1
1539 1 71 ILE MG 1 104 SER QB . . 3.280 2.590 1.965 3.419 0.139 3 0 "[ . 1 . 2]" 1
1540 1 71 ILE MG 1 105 LEU HA . . 3.220 2.207 1.983 2.485 . 0 0 "[ . 1 . 2]" 1
1541 1 71 ILE MG 1 105 LEU HB2 . . 4.410 2.529 2.168 3.200 . 0 0 "[ . 1 . 2]" 1
1542 1 71 ILE MG 1 105 LEU HB3 . . 5.230 3.796 3.469 4.316 . 0 0 "[ . 1 . 2]" 1
1543 1 71 ILE MG 1 105 LEU QD . . 3.450 2.358 2.054 3.266 . 0 0 "[ . 1 . 2]" 1
1544 1 71 ILE MG 1 105 LEU HG . . 4.700 4.122 3.709 4.585 . 0 0 "[ . 1 . 2]" 1
1545 1 71 ILE MG 1 106 LYS H . . 4.140 3.806 3.503 4.209 0.069 20 0 "[ . 1 . 2]" 1
1546 1 72 THR H 1 72 THR HB . . 2.970 2.734 2.443 3.023 0.053 9 0 "[ . 1 . 2]" 1
1547 1 72 THR H 1 72 THR MG . . 4.320 3.724 3.652 3.774 . 0 0 "[ . 1 . 2]" 1
1548 1 72 THR H 1 74 LEU H . . 5.480 4.661 4.340 4.886 . 0 0 "[ . 1 . 2]" 1
1549 1 72 THR H 1 75 ASN QD . . 3.880 3.656 3.544 3.826 . 0 0 "[ . 1 . 2]" 1
1550 1 72 THR HA 1 72 THR MG . . 3.070 2.366 2.219 2.530 . 0 0 "[ . 1 . 2]" 1
1551 1 72 THR HA 1 75 ASN H . . 3.910 3.311 2.997 3.679 . 0 0 "[ . 1 . 2]" 1
1552 1 72 THR HA 1 75 ASN HB2 . . 3.410 2.426 2.152 2.694 . 0 0 "[ . 1 . 2]" 1
1553 1 72 THR HA 1 75 ASN HB3 . . 3.920 3.882 3.579 4.036 0.116 19 0 "[ . 1 . 2]" 1
1554 1 72 THR HA 1 75 ASN QD . . 3.850 2.365 1.836 2.733 . 0 0 "[ . 1 . 2]" 1
1555 1 72 THR HB 1 73 LYS H . . 3.370 2.911 2.229 3.410 0.040 7 0 "[ . 1 . 2]" 1
1556 1 72 THR HB 1 73 LYS QD . . 4.250 4.146 3.686 4.267 0.017 20 0 "[ . 1 . 2]" 1
1557 1 72 THR MG 1 73 LYS H . . 3.560 3.768 3.395 4.192 0.632 10 2 "[ .- + . 2]" 1
1558 1 72 THR MG 1 73 LYS HA . . 4.420 3.832 3.326 4.275 . 0 0 "[ . 1 . 2]" 1
1559 1 72 THR MG 1 73 LYS QG . . 5.120 4.284 3.463 4.983 . 0 0 "[ . 1 . 2]" 1
1560 1 72 THR MG 1 75 ASN H . . 5.120 4.684 4.353 5.028 . 0 0 "[ . 1 . 2]" 1
1561 1 72 THR MG 1 75 ASN HB2 . . 5.490 3.403 3.037 4.017 . 0 0 "[ . 1 . 2]" 1
1562 1 72 THR MG 1 76 SER H . . 5.380 4.249 3.792 5.362 . 0 0 "[ . 1 . 2]" 1
1563 1 72 THR MG 1 76 SER HB2 . . 5.120 4.955 4.276 5.269 0.149 19 0 "[ . 1 . 2]" 1
1564 1 73 LYS H 1 73 LYS QB . . 3.240 2.320 2.175 2.726 . 0 0 "[ . 1 . 2]" 1
1565 1 73 LYS H 1 73 LYS QD . . 5.110 2.841 2.262 3.428 . 0 0 "[ . 1 . 2]" 1
1566 1 73 LYS H 1 73 LYS HE3 . . 5.500 4.655 3.592 5.295 . 0 0 "[ . 1 . 2]" 1
1567 1 73 LYS H 1 74 LEU H . . 3.360 2.740 2.547 2.938 . 0 0 "[ . 1 . 2]" 1
1568 1 73 LYS H 1 75 ASN H . . 5.500 4.032 3.843 4.248 . 0 0 "[ . 1 . 2]" 1
1569 1 73 LYS HA 1 73 LYS HE2 . . 4.900 4.615 2.136 5.862 0.962 2 2 "[ + . 1- . 2]" 1
1570 1 73 LYS HA 1 73 LYS QG . . 3.310 2.467 2.158 3.209 . 0 0 "[ . 1 . 2]" 1
1571 1 73 LYS HA 1 74 LEU HA . . 5.020 4.797 4.659 4.899 . 0 0 "[ . 1 . 2]" 1
1572 1 73 LYS HA 1 76 SER H . . 4.000 3.602 3.075 4.112 0.112 10 0 "[ . 1 . 2]" 1
1573 1 73 LYS QB 1 74 LEU H . . 3.670 2.619 2.384 3.377 . 0 0 "[ . 1 . 2]" 1
1574 1 73 LYS HE2 1 73 LYS QG . . 3.340 2.583 2.128 3.336 . 0 0 "[ . 1 . 2]" 1
1575 1 74 LEU H 1 74 LEU QB . . 3.250 2.359 1.770 2.601 . 0 0 "[ . 1 . 2]" 1
1576 1 74 LEU H 1 74 LEU QD . . 3.660 2.825 1.916 3.506 . 0 0 "[ . 1 . 2]" 1
1577 1 74 LEU H 1 74 LEU HG . . 3.210 2.815 1.987 3.728 0.518 20 7 "[ - . * * * . * *+]" 1
1578 1 74 LEU H 1 75 ASN H . . 3.360 2.628 2.206 2.924 . 0 0 "[ . 1 . 2]" 1
1579 1 74 LEU H 1 76 SER H . . 4.350 4.235 3.815 4.375 0.025 4 0 "[ . 1 . 2]" 1
1580 1 74 LEU H 1 105 LEU QD . . 5.140 4.235 3.897 4.948 . 0 0 "[ . 1 . 2]" 1
1581 1 74 LEU HA 1 74 LEU QD . . 2.990 2.213 2.044 2.450 . 0 0 "[ . 1 . 2]" 1
1582 1 74 LEU HA 1 76 SER H . . 4.510 4.258 3.711 4.541 0.031 5 0 "[ . 1 . 2]" 1
1583 1 74 LEU HA 1 77 LEU H . . 3.970 3.676 3.318 3.976 0.006 14 0 "[ . 1 . 2]" 1
1584 1 74 LEU HA 1 77 LEU HB2 . . 3.770 3.025 2.484 3.455 . 0 0 "[ . 1 . 2]" 1
1585 1 74 LEU HA 1 77 LEU HB3 . . 4.770 4.573 4.100 4.881 0.111 20 0 "[ . 1 . 2]" 1
1586 1 74 LEU HA 1 77 LEU QD . . 3.470 2.325 2.037 2.715 . 0 0 "[ . 1 . 2]" 1
1587 1 74 LEU HA 1 78 ASN H . . 4.750 4.228 3.808 4.792 0.042 20 0 "[ . 1 . 2]" 1
1588 1 74 LEU HA 1 81 LEU MD2 . . 5.160 4.025 3.463 5.194 0.034 16 0 "[ . 1 . 2]" 1
1589 1 74 LEU HA 1 105 LEU QD . . 5.070 4.346 3.847 4.864 . 0 0 "[ . 1 . 2]" 1
1590 1 74 LEU QB 1 75 ASN H . . 3.610 2.686 2.469 3.056 . 0 0 "[ . 1 . 2]" 1
1591 1 74 LEU QB 1 75 ASN HA . . 5.180 4.076 3.690 4.876 . 0 0 "[ . 1 . 2]" 1
1592 1 74 LEU QD 1 75 ASN H . . 4.970 3.968 3.506 4.314 . 0 0 "[ . 1 . 2]" 1
1593 1 74 LEU QD 1 77 LEU H . . 5.500 4.958 4.459 5.322 . 0 0 "[ . 1 . 2]" 1
1594 1 74 LEU QD 1 77 LEU HB2 . . 5.310 3.925 3.143 4.431 . 0 0 "[ . 1 . 2]" 1
1595 1 74 LEU QD 1 77 LEU QD . . 3.730 2.696 2.134 3.254 . 0 0 "[ . 1 . 2]" 1
1596 1 74 LEU QD 1 78 ASN H . . 5.500 5.061 3.885 5.359 . 0 0 "[ . 1 . 2]" 1
1597 1 74 LEU QD 1 81 LEU MD1 . . 3.500 2.154 1.799 2.892 . 0 0 "[ . 1 . 2]" 1
1598 1 74 LEU QD 1 81 LEU MD2 . . 3.450 2.076 1.846 2.912 . 0 0 "[ . 1 . 2]" 1
1599 1 74 LEU QD 1 105 LEU QD . . 3.590 2.575 1.997 3.352 . 0 0 "[ . 1 . 2]" 1
1600 1 74 LEU HG 1 75 ASN H . . 4.860 4.297 2.888 4.910 0.050 8 0 "[ . 1 . 2]" 1
1601 1 75 ASN H 1 75 ASN HB2 . . 3.210 2.609 2.267 2.865 . 0 0 "[ . 1 . 2]" 1
1602 1 75 ASN H 1 75 ASN HB3 . . 3.580 3.632 3.519 3.690 0.110 8 0 "[ . 1 . 2]" 1
1603 1 75 ASN H 1 75 ASN QD . . 4.960 3.650 2.047 4.067 . 0 0 "[ . 1 . 2]" 1
1604 1 75 ASN H 1 76 SER H . . 3.350 2.745 2.464 2.950 . 0 0 "[ . 1 . 2]" 1
1605 1 75 ASN H 1 77 LEU H . . 5.010 4.388 4.214 4.527 . 0 0 "[ . 1 . 2]" 1
1606 1 75 ASN H 1 105 LEU QD . . 4.560 3.330 2.791 3.644 . 0 0 "[ . 1 . 2]" 1
1607 1 75 ASN H 1 107 ALA MB . . 5.140 4.587 3.992 5.278 0.138 18 0 "[ . 1 . 2]" 1
1608 1 75 ASN HA 1 77 LEU H . . 5.070 4.605 4.362 4.902 . 0 0 "[ . 1 . 2]" 1
1609 1 75 ASN HA 1 78 ASN H . . 4.280 3.522 3.268 3.876 . 0 0 "[ . 1 . 2]" 1
1610 1 75 ASN HA 1 105 LEU HG . . 4.900 4.679 4.202 5.043 0.143 14 0 "[ . 1 . 2]" 1
1611 1 75 ASN HA 1 107 ALA MB . . 3.860 2.813 2.316 3.511 . 0 0 "[ . 1 . 2]" 1
1612 1 75 ASN HB2 1 76 SER H . . 3.570 2.677 2.193 3.179 . 0 0 "[ . 1 . 2]" 1
1613 1 75 ASN HB2 1 76 SER HA . . 4.910 4.146 3.668 4.500 . 0 0 "[ . 1 . 2]" 1
1614 1 75 ASN HB3 1 76 SER H . . 3.900 3.692 2.742 3.952 0.052 4 0 "[ . 1 . 2]" 1
1615 1 75 ASN HB3 1 76 SER HA . . 4.960 4.314 3.472 4.650 . 0 0 "[ . 1 . 2]" 1
1616 1 75 ASN HB3 1 78 ASN H . . 5.500 5.323 5.038 5.571 0.071 19 0 "[ . 1 . 2]" 1
1617 1 75 ASN QD 1 76 SER H . . 5.500 4.816 4.046 5.276 . 0 0 "[ . 1 . 2]" 1
1618 1 75 ASN QD 1 105 LEU HA . . 3.720 2.520 2.051 2.958 . 0 0 "[ . 1 . 2]" 1
1619 1 75 ASN QD 1 105 LEU QD . . 4.760 3.548 2.393 3.805 . 0 0 "[ . 1 . 2]" 1
1620 1 75 ASN QD 1 106 LYS H . . 4.170 3.255 2.799 3.584 . 0 0 "[ . 1 . 2]" 1
1621 1 75 ASN QD 1 106 LYS HG2 . . 4.570 3.200 2.582 4.309 . 0 0 "[ . 1 . 2]" 1
1622 1 75 ASN QD 1 106 LYS HG3 . . 4.580 3.755 2.651 4.429 . 0 0 "[ . 1 . 2]" 1
1623 1 76 SER H 1 76 SER HB3 . . 2.850 2.328 2.004 2.519 . 0 0 "[ . 1 . 2]" 1
1624 1 76 SER H 1 77 LEU H . . 3.180 2.577 1.966 2.899 . 0 0 "[ . 1 . 2]" 1
1625 1 76 SER H 1 77 LEU HG . . 4.690 4.255 3.764 4.759 0.069 4 0 "[ . 1 . 2]" 1
1626 1 76 SER H 1 78 ASN H . . 4.040 3.975 3.760 4.083 0.043 5 0 "[ . 1 . 2]" 1
1627 1 76 SER HA 1 76 SER HB2 . . 2.480 2.335 2.185 2.544 0.064 10 0 "[ . 1 . 2]" 1
1628 1 76 SER HA 1 76 SER HB3 . . 2.720 2.587 2.426 2.855 0.135 4 0 "[ . 1 . 2]" 1
1629 1 76 SER HA 1 78 ASN QB . . 5.010 4.377 3.839 4.993 . 0 0 "[ . 1 . 2]" 1
1630 1 76 SER HB2 1 77 LEU H . . 3.720 3.761 3.471 3.835 0.115 20 0 "[ . 1 . 2]" 1
1631 1 76 SER HB2 1 77 LEU QD . . 5.090 4.329 3.468 4.758 . 0 0 "[ . 1 . 2]" 1
1632 1 76 SER HB3 1 77 LEU H . . 3.690 3.512 2.494 3.797 0.107 10 0 "[ . 1 . 2]" 1
1633 1 76 SER HB3 1 77 LEU QD . . 5.250 4.465 2.276 4.954 . 0 0 "[ . 1 . 2]" 1
1634 1 76 SER HB3 1 77 LEU HG . . 4.580 4.670 4.148 4.707 0.127 14 0 "[ . 1 . 2]" 1
1635 1 77 LEU H 1 77 LEU HB2 . . 3.160 2.563 2.379 2.814 . 0 0 "[ . 1 . 2]" 1
1636 1 77 LEU H 1 77 LEU HB3 . . 3.650 3.594 3.514 3.645 . 0 0 "[ . 1 . 2]" 1
1637 1 77 LEU H 1 77 LEU QD . . 3.890 2.756 1.630 3.075 . 0 0 "[ . 1 . 2]" 1
1638 1 77 LEU H 1 77 LEU HG . . 3.140 2.181 1.826 3.013 . 0 0 "[ . 1 . 2]" 1
1639 1 77 LEU H 1 78 ASN H . . 3.270 2.685 2.502 2.956 . 0 0 "[ . 1 . 2]" 1
1640 1 77 LEU H 1 79 GLU H . . 5.130 4.666 4.264 4.979 . 0 0 "[ . 1 . 2]" 1
1641 1 77 LEU HA 1 77 LEU QD . . 2.760 2.309 2.105 2.778 0.018 20 0 "[ . 1 . 2]" 1
1642 1 77 LEU HA 1 77 LEU HG . . 3.730 2.969 2.064 3.378 . 0 0 "[ . 1 . 2]" 1
1643 1 77 LEU HB2 1 77 LEU QD . . 3.190 2.218 2.100 2.292 . 0 0 "[ . 1 . 2]" 1
1644 1 77 LEU HB2 1 78 ASN H . . 3.630 2.578 2.261 2.856 . 0 0 "[ . 1 . 2]" 1
1645 1 77 LEU HB2 1 79 GLU H . . 4.810 2.830 2.209 3.316 . 0 0 "[ . 1 . 2]" 1
1646 1 77 LEU HB3 1 78 ASN H . . 4.020 3.670 3.432 4.000 . 0 0 "[ . 1 . 2]" 1
1647 1 77 LEU HB3 1 79 GLU H . . 4.170 3.207 2.764 3.687 . 0 0 "[ . 1 . 2]" 1
1648 1 77 LEU HB3 1 79 GLU HA . . 5.110 5.052 4.714 5.230 0.120 19 0 "[ . 1 . 2]" 1
1649 1 77 LEU HB3 1 79 GLU HB2 . . 4.270 3.290 2.853 4.023 . 0 0 "[ . 1 . 2]" 1
1650 1 77 LEU HB3 1 79 GLU HG2 . . 3.960 2.962 2.363 3.574 . 0 0 "[ . 1 . 2]" 1
1651 1 77 LEU HB3 1 79 GLU HG3 . . 4.110 2.821 2.141 3.947 . 0 0 "[ . 1 . 2]" 1
1652 1 77 LEU QD 1 78 ASN H . . 5.070 3.954 3.628 4.116 . 0 0 "[ . 1 . 2]" 1
1653 1 77 LEU QD 1 79 GLU H . . 5.050 4.077 3.679 4.470 . 0 0 "[ . 1 . 2]" 1
1654 1 77 LEU QD 1 79 GLU HG2 . . 5.340 4.061 3.578 4.512 . 0 0 "[ . 1 . 2]" 1
1655 1 77 LEU HG 1 78 ASN H . . 5.060 4.236 3.863 4.804 . 0 0 "[ . 1 . 2]" 1
1656 1 78 ASN H 1 78 ASN HA . . 2.820 2.233 2.194 2.289 . 0 0 "[ . 1 . 2]" 1
1657 1 78 ASN H 1 78 ASN QB . . 3.790 2.963 2.875 3.082 . 0 0 "[ . 1 . 2]" 1
1658 1 78 ASN H 1 79 GLU H . . 3.600 2.648 2.502 2.738 . 0 0 "[ . 1 . 2]" 1
1659 1 78 ASN H 1 79 GLU HA . . 5.190 5.216 5.166 5.236 0.046 5 0 "[ . 1 . 2]" 1
1660 1 78 ASN H 1 79 GLU HG2 . . 4.640 4.598 4.245 4.763 0.123 17 0 "[ . 1 . 2]" 1
1661 1 78 ASN H 1 107 ALA MB . . 4.300 3.257 2.884 3.929 . 0 0 "[ . 1 . 2]" 1
1662 1 78 ASN HA 1 78 ASN HD22 . . 5.500 4.539 4.264 5.100 . 0 0 "[ . 1 . 2]" 1
1663 1 78 ASN HA 1 79 GLU H . . 3.410 2.968 2.667 3.199 . 0 0 "[ . 1 . 2]" 1
1664 1 78 ASN HA 1 79 GLU HA . . 4.580 4.655 4.517 4.714 0.134 3 0 "[ . 1 . 2]" 1
1665 1 78 ASN HA 1 107 ALA HA . . 4.410 3.334 2.476 4.221 . 0 0 "[ . 1 . 2]" 1
1666 1 78 ASN HA 1 107 ALA MB . . 3.450 2.126 1.995 2.285 . 0 0 "[ . 1 . 2]" 1
1667 1 79 GLU H 1 79 GLU HB2 . . 3.480 2.322 2.160 2.510 . 0 0 "[ . 1 . 2]" 1
1668 1 79 GLU H 1 79 GLU HB3 . . 3.970 3.571 3.455 3.664 . 0 0 "[ . 1 . 2]" 1
1669 1 79 GLU H 1 79 GLU HG2 . . 3.550 2.774 2.472 3.280 . 0 0 "[ . 1 . 2]" 1
1670 1 79 GLU H 1 79 GLU HG3 . . 4.010 3.576 2.931 3.965 . 0 0 "[ . 1 . 2]" 1
1671 1 79 GLU H 1 80 PRO HD3 . . 5.430 4.963 4.808 5.071 . 0 0 "[ . 1 . 2]" 1
1672 1 79 GLU H 1 107 ALA MB . . 4.150 3.209 2.433 3.748 . 0 0 "[ . 1 . 2]" 1
1673 1 79 GLU HA 1 79 GLU HG2 . . 3.470 2.619 2.316 2.867 . 0 0 "[ . 1 . 2]" 1
1674 1 79 GLU HA 1 80 PRO HD2 . . 3.130 2.435 2.159 2.669 . 0 0 "[ . 1 . 2]" 1
1675 1 79 GLU HA 1 80 PRO HD3 . . 3.030 2.332 2.081 2.507 . 0 0 "[ . 1 . 2]" 1
1676 1 79 GLU HB2 1 80 PRO HD2 . . 3.980 3.988 3.804 4.098 0.118 16 0 "[ . 1 . 2]" 1
1677 1 79 GLU HG2 1 80 PRO HD2 . . 4.360 4.288 4.009 4.479 0.119 19 0 "[ . 1 . 2]" 1
1678 1 80 PRO HA 1 81 LEU H . . 2.880 2.172 2.116 2.264 . 0 0 "[ . 1 . 2]" 1
1679 1 80 PRO HA 1 81 LEU HA . . 5.000 4.441 4.291 4.490 . 0 0 "[ . 1 . 2]" 1
1680 1 80 PRO HA 1 81 LEU HG . . 4.200 3.732 2.993 4.339 0.139 3 0 "[ . 1 . 2]" 1
1681 1 80 PRO HA 1 108 PRO QB . . 4.260 2.882 2.110 4.206 . 0 0 "[ . 1 . 2]" 1
1682 1 80 PRO HA 1 108 PRO QD . . 3.830 2.652 2.240 3.113 . 0 0 "[ . 1 . 2]" 1
1683 1 80 PRO HA 1 108 PRO QG . . 3.690 2.703 2.136 3.516 . 0 0 "[ . 1 . 2]" 1
1684 1 80 PRO HB2 1 81 LEU H . . 4.040 3.647 2.789 4.039 . 0 0 "[ . 1 . 2]" 1
1685 1 80 PRO HB3 1 81 LEU H . . 4.110 4.019 3.553 4.227 0.117 12 0 "[ . 1 . 2]" 1
1686 1 80 PRO HG3 1 108 PRO QD . . 5.370 5.055 3.675 5.260 . 0 0 "[ . 1 . 2]" 1
1687 1 81 LEU H 1 81 LEU HB2 . . 3.660 2.742 2.574 3.016 . 0 0 "[ . 1 . 2]" 1
1688 1 81 LEU H 1 81 LEU HB3 . . 3.990 3.745 3.664 3.909 . 0 0 "[ . 1 . 2]" 1
1689 1 81 LEU H 1 81 LEU MD1 . . 4.180 3.437 2.551 4.222 0.042 3 0 "[ . 1 . 2]" 1
1690 1 81 LEU H 1 81 LEU MD2 . . 4.250 3.576 2.403 4.349 0.099 2 0 "[ . 1 . 2]" 1
1691 1 81 LEU H 1 81 LEU HG . . 3.400 2.533 2.087 3.483 0.083 3 0 "[ . 1 . 2]" 1
1692 1 81 LEU H 1 107 ALA MB . . 4.970 4.217 3.653 4.974 0.004 7 0 "[ . 1 . 2]" 1
1693 1 81 LEU H 1 108 PRO QD . . 5.500 4.108 3.528 4.606 . 0 0 "[ . 1 . 2]" 1
1694 1 81 LEU H 1 108 PRO QG . . 4.890 4.426 3.712 5.003 0.113 3 0 "[ . 1 . 2]" 1
1695 1 81 LEU H 1 109 ALA H . . 5.180 4.518 4.277 4.877 . 0 0 "[ . 1 . 2]" 1
1696 1 81 LEU H 1 109 ALA HA . . 3.370 2.433 1.936 2.894 . 0 0 "[ . 1 . 2]" 1
1697 1 81 LEU H 1 109 ALA MB . . 4.040 3.499 2.598 4.149 0.109 10 0 "[ . 1 . 2]" 1
1698 1 81 LEU H 1 110 VAL H . . 4.580 4.060 3.545 4.607 0.027 12 0 "[ . 1 . 2]" 1
1699 1 81 LEU HA 1 81 LEU MD1 . . 4.430 3.900 2.931 4.084 . 0 0 "[ . 1 . 2]" 1
1700 1 81 LEU HA 1 81 LEU MD2 . . 3.290 2.541 2.101 3.014 . 0 0 "[ . 1 . 2]" 1
1701 1 81 LEU HA 1 81 LEU HG . . 4.170 3.163 2.630 3.959 . 0 0 "[ . 1 . 2]" 1
1702 1 81 LEU HA 1 82 VAL H . . 2.900 2.429 2.377 2.586 . 0 0 "[ . 1 . 2]" 1
1703 1 81 LEU HA 1 82 VAL HA . . 4.710 4.599 4.542 4.741 0.031 20 0 "[ . 1 . 2]" 1
1704 1 81 LEU HA 1 82 VAL QG . . 4.510 3.451 3.199 3.676 . 0 0 "[ . 1 . 2]" 1
1705 1 81 LEU HB2 1 81 LEU MD1 . . 3.090 2.262 2.162 2.949 . 0 0 "[ . 1 . 2]" 1
1706 1 81 LEU HB2 1 82 VAL H . . 3.910 3.297 2.962 3.481 . 0 0 "[ . 1 . 2]" 1
1707 1 81 LEU HB2 1 83 THR HB . . 4.880 4.867 4.383 5.000 0.120 2 0 "[ . 1 . 2]" 1
1708 1 81 LEU HB2 1 109 ALA HA . . 3.600 2.490 2.132 3.260 . 0 0 "[ . 1 . 2]" 1
1709 1 81 LEU HB2 1 109 ALA MB . . 3.650 2.450 1.999 3.039 . 0 0 "[ . 1 . 2]" 1
1710 1 81 LEU HB3 1 81 LEU MD2 . . 3.670 2.349 2.130 3.236 . 0 0 "[ . 1 . 2]" 1
1711 1 81 LEU HB3 1 82 VAL H . . 3.740 2.326 1.985 2.696 . 0 0 "[ . 1 . 2]" 1
1712 1 81 LEU HB3 1 83 THR HB . . 4.070 3.786 3.355 4.190 0.120 1 0 "[ . 1 . 2]" 1
1713 1 81 LEU HB3 1 109 ALA HA . . 4.920 4.095 3.724 4.744 . 0 0 "[ . 1 . 2]" 1
1714 1 81 LEU HB3 1 109 ALA MB . . 4.160 3.777 3.411 4.274 0.114 15 0 "[ . 1 . 2]" 1
1715 1 81 LEU MD1 1 82 VAL H . . 5.120 4.457 3.570 4.853 . 0 0 "[ . 1 . 2]" 1
1716 1 81 LEU MD1 1 109 ALA HA . . 3.970 3.614 2.995 4.827 0.857 3 1 "[ + . 1 . 2]" 1
1717 1 81 LEU MD1 1 109 ALA MB . . 2.860 2.417 2.097 3.773 0.913 3 1 "[ + . 1 . 2]" 1
1718 1 81 LEU MD2 1 82 VAL H . . 4.130 3.761 3.408 4.518 0.388 3 0 "[ . 1 . 2]" 1
1719 1 81 LEU MD2 1 109 ALA HA . . 5.030 4.779 3.440 5.161 0.131 17 0 "[ . 1 . 2]" 1
1720 1 81 LEU HG 1 107 ALA MB . . 4.750 3.538 2.756 4.326 . 0 0 "[ . 1 . 2]" 1
1721 1 81 LEU HG 1 109 ALA HA . . 4.320 3.929 3.310 4.436 0.116 20 0 "[ . 1 . 2]" 1
1722 1 81 LEU HG 1 109 ALA MB . . 4.720 3.594 2.235 4.777 0.057 15 0 "[ . 1 . 2]" 1
1723 1 82 VAL H 1 82 VAL HB . . 3.800 3.475 3.269 3.576 . 0 0 "[ . 1 . 2]" 1
1724 1 82 VAL H 1 82 VAL QG . . 3.290 2.434 2.334 2.513 . 0 0 "[ . 1 . 2]" 1
1725 1 82 VAL H 1 83 THR H . . 4.300 3.850 3.386 4.142 . 0 0 "[ . 1 . 2]" 1
1726 1 82 VAL HA 1 82 VAL QG . . 3.160 2.430 2.295 2.485 . 0 0 "[ . 1 . 2]" 1
1727 1 82 VAL HA 1 83 THR H . . 2.800 2.282 2.178 2.457 . 0 0 "[ . 1 . 2]" 1
1728 1 82 VAL HA 1 110 VAL H . . 3.530 2.532 2.005 2.797 . 0 0 "[ . 1 . 2]" 1
1729 1 82 VAL HA 1 110 VAL HA . . 5.060 4.363 4.261 4.386 . 0 0 "[ . 1 . 2]" 1
1730 1 82 VAL HA 1 110 VAL HB . . 3.170 2.141 2.026 2.293 . 0 0 "[ . 1 . 2]" 1
1731 1 82 VAL HA 1 110 VAL MG1 . . 3.830 3.333 2.841 3.774 . 0 0 "[ . 1 . 2]" 1
1732 1 82 VAL HA 1 110 VAL MG2 . . 4.150 3.717 3.396 3.923 . 0 0 "[ . 1 . 2]" 1
1733 1 82 VAL HA 1 111 VAL HA . . 5.230 4.809 4.519 5.254 0.024 18 0 "[ . 1 . 2]" 1
1734 1 82 VAL HB 1 83 THR H . . 4.850 4.407 3.644 4.714 . 0 0 "[ . 1 . 2]" 1
1735 1 82 VAL HB 1 110 VAL H . . 4.770 4.051 3.670 4.822 0.052 9 0 "[ . 1 . 2]" 1
1736 1 82 VAL HB 1 110 VAL HB . . 3.940 2.699 2.305 3.982 0.042 18 0 "[ . 1 . 2]" 1
1737 1 82 VAL HB 1 110 VAL MG1 . . 4.740 3.725 3.069 4.537 . 0 0 "[ . 1 . 2]" 1
1738 1 82 VAL QG 1 83 THR H . . 4.040 3.273 2.947 3.637 . 0 0 "[ . 1 . 2]" 1
1739 1 82 VAL QG 1 110 VAL H . . 5.040 3.989 3.229 4.330 . 0 0 "[ . 1 . 2]" 1
1740 1 82 VAL QG 1 110 VAL HB . . 3.710 2.432 1.907 2.870 . 0 0 "[ . 1 . 2]" 1
1741 1 82 VAL QG 1 110 VAL MG1 . . 3.650 2.381 2.111 2.943 . 0 0 "[ . 1 . 2]" 1
1742 1 83 THR H 1 83 THR MG . . 3.170 2.870 2.361 3.318 0.148 16 0 "[ . 1 . 2]" 1
1743 1 83 THR H 1 84 MET H . . 4.890 4.344 4.236 4.442 . 0 0 "[ . 1 . 2]" 1
1744 1 83 THR H 1 110 VAL H . . 4.190 3.771 2.958 4.221 0.031 1 0 "[ . 1 . 2]" 1
1745 1 83 THR H 1 110 VAL HB . . 4.680 3.833 3.474 4.240 . 0 0 "[ . 1 . 2]" 1
1746 1 83 THR H 1 110 VAL MG1 . . 4.530 3.837 2.963 4.475 . 0 0 "[ . 1 . 2]" 1
1747 1 83 THR H 1 111 VAL HA . . 3.810 3.296 3.001 3.669 . 0 0 "[ . 1 . 2]" 1
1748 1 83 THR H 1 111 VAL QG . . 4.990 4.257 3.965 4.438 . 0 0 "[ . 1 . 2]" 1
1749 1 83 THR HA 1 83 THR MG . . 3.570 3.238 2.959 3.300 . 0 0 "[ . 1 . 2]" 1
1750 1 83 THR HA 1 84 MET H . . 2.870 2.589 2.350 2.861 . 0 0 "[ . 1 . 2]" 1
1751 1 83 THR HA 1 112 SER H . . 5.410 4.986 4.178 5.436 0.026 14 0 "[ . 1 . 2]" 1
1752 1 83 THR HB 1 84 MET H . . 4.380 3.888 3.535 4.260 . 0 0 "[ . 1 . 2]" 1
1753 1 83 THR HB 1 86 ILE MD . . 5.130 3.939 3.498 4.461 . 0 0 "[ . 1 . 2]" 1
1754 1 83 THR MG 1 84 MET H . . 4.070 3.004 2.217 3.607 . 0 0 "[ . 1 . 2]" 1
1755 1 83 THR MG 1 84 MET QB . . 5.400 4.365 2.906 5.005 . 0 0 "[ . 1 . 2]" 1
1756 1 83 THR MG 1 85 PRO HA . . 5.200 4.066 3.726 4.406 . 0 0 "[ . 1 . 2]" 1
1757 1 83 THR MG 1 86 ILE MD . . 4.290 2.179 1.934 2.628 . 0 0 "[ . 1 . 2]" 1
1758 1 83 THR MG 1 111 VAL QG . . 4.310 3.665 3.300 4.298 . 0 0 "[ . 1 . 2]" 1
1759 1 83 THR MG 1 112 SER H . . 5.430 4.759 4.273 5.395 . 0 0 "[ . 1 . 2]" 1
1760 1 84 MET H 1 84 MET QB . . 3.450 2.585 2.239 3.092 . 0 0 "[ . 1 . 2]" 1
1761 1 84 MET H 1 84 MET ME . . 4.130 4.063 3.603 4.268 0.138 17 0 "[ . 1 . 2]" 1
1762 1 84 MET H 1 84 MET QG . . 3.710 2.355 1.853 2.964 . 0 0 "[ . 1 . 2]" 1
1763 1 84 MET H 1 85 PRO HD2 . . 5.360 4.957 4.595 5.300 . 0 0 "[ . 1 . 2]" 1
1764 1 84 MET H 1 85 PRO HD3 . . 4.890 4.905 4.813 4.943 0.053 2 0 "[ . 1 . 2]" 1
1765 1 84 MET H 1 86 ILE MD . . 5.500 4.465 3.542 5.591 0.091 19 0 "[ . 1 . 2]" 1
1766 1 84 MET H 1 111 VAL HA . . 5.500 5.079 4.556 5.556 0.056 4 0 "[ . 1 . 2]" 1
1767 1 84 MET HA 1 84 MET ME . . 5.080 4.479 4.108 5.103 0.023 1 0 "[ . 1 . 2]" 1
1768 1 84 MET HA 1 84 MET QG . . 3.560 2.803 2.195 3.334 . 0 0 "[ . 1 . 2]" 1
1769 1 84 MET HA 1 85 PRO HD2 . . 3.630 3.207 2.412 3.650 0.020 1 0 "[ . 1 . 2]" 1
1770 1 84 MET HA 1 85 PRO HD3 . . 3.180 2.365 2.128 2.639 . 0 0 "[ . 1 . 2]" 1
1771 1 84 MET HA 1 85 PRO HG3 . . 4.790 4.546 4.126 4.909 0.119 13 0 "[ . 1 . 2]" 1
1772 1 84 MET HA 1 111 VAL HA . . 4.470 3.570 2.934 4.376 . 0 0 "[ . 1 . 2]" 1
1773 1 84 MET HA 1 111 VAL QG . . 4.210 3.063 2.461 3.850 . 0 0 "[ . 1 . 2]" 1
1774 1 84 MET HA 1 112 SER H . . 3.580 2.199 1.627 2.703 . 0 0 "[ . 1 . 2]" 1
1775 1 84 MET HA 1 112 SER QB . . 4.320 3.232 2.567 4.095 . 0 0 "[ . 1 . 2]" 1
1776 1 84 MET QB 1 84 MET ME . . 3.030 2.278 2.015 3.034 0.004 13 0 "[ . 1 . 2]" 1
1777 1 84 MET QB 1 85 PRO HD2 . . 3.540 2.091 1.911 2.515 . 0 0 "[ . 1 . 2]" 1
1778 1 84 MET QB 1 85 PRO HD3 . . 3.970 2.627 2.167 3.440 . 0 0 "[ . 1 . 2]" 1
1779 1 84 MET ME 1 89 VAL QG . . 4.890 3.960 2.344 4.680 . 0 0 "[ . 1 . 2]" 1
1780 1 84 MET QG 1 85 PRO HD2 . . 5.070 3.699 2.833 4.165 . 0 0 "[ . 1 . 2]" 1
1781 1 84 MET QG 1 85 PRO HD3 . . 4.930 3.988 3.402 4.503 . 0 0 "[ . 1 . 2]" 1
1782 1 84 MET QG 1 112 SER H . . 4.980 4.206 2.958 4.931 . 0 0 "[ . 1 . 2]" 1
1783 1 84 MET QG 1 112 SER QB . . 4.540 3.428 2.068 4.277 . 0 0 "[ . 1 . 2]" 1
1784 1 85 PRO HA 1 86 ILE H . . 2.830 2.136 2.011 2.351 . 0 0 "[ . 1 . 2]" 1
1785 1 85 PRO HA 1 86 ILE HA . . 4.810 4.334 4.197 4.456 . 0 0 "[ . 1 . 2]" 1
1786 1 85 PRO HA 1 86 ILE HB . . 4.660 4.360 4.031 4.530 . 0 0 "[ . 1 . 2]" 1
1787 1 85 PRO HA 1 86 ILE MD . . 5.500 4.660 4.232 5.106 . 0 0 "[ . 1 . 2]" 1
1788 1 85 PRO HA 1 102 MET ME . . 3.080 2.201 1.959 2.973 . 0 0 "[ . 1 . 2]" 1
1789 1 85 PRO HA 1 102 MET QG . . 3.790 3.552 3.083 3.914 0.124 18 0 "[ . 1 . 2]" 1
1790 1 85 PRO HA 1 111 VAL QG . . 4.180 2.575 2.277 2.922 . 0 0 "[ . 1 . 2]" 1
1791 1 85 PRO HA 1 122 TYR QE . . 5.040 4.742 4.394 5.116 0.076 2 0 "[ . 1 . 2]" 1
1792 1 85 PRO HB2 1 88 TYR H . . 4.670 4.644 4.491 4.713 0.043 16 0 "[ . 1 . 2]" 1
1793 1 85 PRO HB2 1 88 TYR HB2 . . 3.950 2.187 2.020 2.380 . 0 0 "[ . 1 . 2]" 1
1794 1 85 PRO HB2 1 88 TYR HB3 . . 4.390 3.563 3.273 3.813 . 0 0 "[ . 1 . 2]" 1
1795 1 85 PRO HB2 1 88 TYR QD . . 4.460 4.042 3.697 4.291 . 0 0 "[ . 1 . 2]" 1
1796 1 85 PRO HB2 1 98 ALA MB . . 3.560 2.148 1.965 2.551 . 0 0 "[ . 1 . 2]" 1
1797 1 85 PRO HB2 1 122 TYR QE . . 4.810 3.598 3.274 3.665 . 0 0 "[ . 1 . 2]" 1
1798 1 85 PRO HB3 1 86 ILE H . . 4.650 3.778 3.188 4.215 . 0 0 "[ . 1 . 2]" 1
1799 1 85 PRO HB3 1 88 TYR HB2 . . 4.380 3.884 3.538 4.032 . 0 0 "[ . 1 . 2]" 1
1800 1 85 PRO HB3 1 95 LEU QD . . 5.140 4.126 3.547 4.556 . 0 0 "[ . 1 . 2]" 1
1801 1 85 PRO HB3 1 98 ALA MB . . 3.810 2.815 2.107 3.291 . 0 0 "[ . 1 . 2]" 1
1802 1 85 PRO HB3 1 102 MET QG . . 4.280 3.474 2.726 4.155 . 0 0 "[ . 1 . 2]" 1
1803 1 85 PRO HB3 1 111 VAL QG . . 5.150 2.708 2.306 3.547 . 0 0 "[ . 1 . 2]" 1
1804 1 85 PRO HB3 1 122 TYR QE . . 3.030 2.815 2.447 3.126 0.096 14 0 "[ . 1 . 2]" 1
1805 1 85 PRO HD2 1 88 TYR QD . . 4.950 3.438 2.670 4.196 . 0 0 "[ . 1 . 2]" 1
1806 1 85 PRO HD2 1 95 LEU QD . . 5.500 4.748 3.615 5.307 . 0 0 "[ . 1 . 2]" 1
1807 1 85 PRO HD2 1 111 VAL QG . . 4.660 3.873 3.562 4.444 . 0 0 "[ . 1 . 2]" 1
1808 1 85 PRO HD2 1 112 SER H . . 5.150 4.803 3.993 5.280 0.130 17 0 "[ . 1 . 2]" 1
1809 1 85 PRO HD2 1 113 VAL HA . . 5.020 4.292 3.426 5.107 0.087 12 0 "[ . 1 . 2]" 1
1810 1 85 PRO HD2 1 113 VAL MG1 . . 4.920 4.234 3.207 5.038 0.118 7 0 "[ . 1 . 2]" 1
1811 1 85 PRO HD3 1 111 VAL QG . . 3.720 2.613 2.138 3.553 . 0 0 "[ . 1 . 2]" 1
1812 1 85 PRO HD3 1 112 SER H . . 5.040 3.376 2.611 4.161 . 0 0 "[ . 1 . 2]" 1
1813 1 85 PRO HD3 1 113 VAL HA . . 4.570 3.712 3.026 4.570 0.000 20 0 "[ . 1 . 2]" 1
1814 1 85 PRO HD3 1 113 VAL MG1 . . 4.190 3.474 2.779 3.953 . 0 0 "[ . 1 . 2]" 1
1815 1 85 PRO HG2 1 86 ILE H . . 5.390 5.354 4.995 5.528 0.138 6 0 "[ . 1 . 2]" 1
1816 1 85 PRO HG2 1 88 TYR HB3 . . 4.890 3.596 2.931 4.997 0.107 16 0 "[ . 1 . 2]" 1
1817 1 85 PRO HG2 1 95 LEU QD . . 4.840 3.320 2.300 4.014 . 0 0 "[ . 1 . 2]" 1
1818 1 85 PRO HG2 1 113 VAL MG1 . . 4.450 3.760 2.525 4.581 0.131 12 0 "[ . 1 . 2]" 1
1819 1 85 PRO HG2 1 122 TYR QE . . 4.840 4.006 2.837 4.972 0.132 3 0 "[ . 1 . 2]" 1
1820 1 85 PRO HG3 1 111 VAL QG . . 3.560 2.844 2.111 3.630 0.070 13 0 "[ . 1 . 2]" 1
1821 1 85 PRO HG3 1 122 TYR QE . . 4.740 3.242 2.616 4.084 . 0 0 "[ . 1 . 2]" 1
1822 1 86 ILE H 1 86 ILE HB . . 3.260 2.304 2.080 2.472 . 0 0 "[ . 1 . 2]" 1
1823 1 86 ILE H 1 86 ILE MD . . 3.930 3.555 3.161 3.927 . 0 0 "[ . 1 . 2]" 1
1824 1 86 ILE H 1 86 ILE HG12 . . 3.440 2.307 1.994 3.172 . 0 0 "[ . 1 . 2]" 1
1825 1 86 ILE H 1 86 ILE HG13 . . 3.650 3.440 2.018 3.709 0.059 7 0 "[ . 1 . 2]" 1
1826 1 86 ILE H 1 86 ILE MG . . 3.990 3.708 3.601 3.793 . 0 0 "[ . 1 . 2]" 1
1827 1 86 ILE H 1 87 GLY H . . 4.910 2.747 2.360 3.166 . 0 0 "[ . 1 . 2]" 1
1828 1 86 ILE H 1 102 MET ME . . 3.430 2.240 1.895 2.770 . 0 0 "[ . 1 . 2]" 1
1829 1 86 ILE H 1 102 MET QG . . 4.050 3.561 2.818 4.088 0.038 10 0 "[ . 1 . 2]" 1
1830 1 86 ILE HA 1 86 ILE MD . . 3.710 2.294 2.086 3.816 0.106 19 0 "[ . 1 . 2]" 1
1831 1 86 ILE HA 1 86 ILE HG12 . . 3.850 2.954 2.407 3.190 . 0 0 "[ . 1 . 2]" 1
1832 1 86 ILE HA 1 86 ILE HG13 . . 3.780 3.763 3.073 3.881 0.101 17 0 "[ . 1 . 2]" 1
1833 1 86 ILE HA 1 86 ILE MG . . 3.320 2.577 2.447 2.788 . 0 0 "[ . 1 . 2]" 1
1834 1 86 ILE HA 1 88 TYR H . . 4.250 4.348 4.224 4.374 0.124 17 0 "[ . 1 . 2]" 1
1835 1 86 ILE HB 1 86 ILE MD . . 3.580 3.234 2.533 3.298 . 0 0 "[ . 1 . 2]" 1
1836 1 86 ILE HB 1 87 GLY H . . 4.980 2.637 2.355 3.362 . 0 0 "[ . 1 . 2]" 1
1837 1 86 ILE HB 1 102 MET ME . . 3.210 3.262 2.986 3.353 0.143 10 0 "[ . 1 . 2]" 1
1838 1 86 ILE MD 1 86 ILE MG . . 2.780 2.119 2.060 2.217 . 0 0 "[ . 1 . 2]" 1
1839 1 86 ILE MD 1 87 GLY H . . 4.850 4.846 4.749 4.970 0.120 16 0 "[ . 1 . 2]" 1
1840 1 86 ILE MD 1 102 MET ME . . 4.620 3.808 2.694 4.515 . 0 0 "[ . 1 . 2]" 1
1841 1 86 ILE HG12 1 86 ILE MG . . 3.510 3.204 2.575 3.264 . 0 0 "[ . 1 . 2]" 1
1842 1 86 ILE HG13 1 86 ILE MG . . 3.720 2.417 2.292 3.270 . 0 0 "[ . 1 . 2]" 1
1843 1 86 ILE HG13 1 87 GLY H . . 5.500 4.907 4.355 5.538 0.038 16 0 "[ . 1 . 2]" 1
1844 1 86 ILE HG13 1 102 MET ME . . 3.760 3.347 2.339 3.846 0.086 10 0 "[ . 1 . 2]" 1
1845 1 86 ILE HG13 1 102 MET QG . . 5.420 5.099 4.076 5.544 0.124 1 0 "[ . 1 . 2]" 1
1846 1 86 ILE MG 1 87 GLY H . . 3.820 3.254 2.982 3.615 . 0 0 "[ . 1 . 2]" 1
1847 1 86 ILE MG 1 87 GLY HA3 . . 4.620 4.030 3.739 4.265 . 0 0 "[ . 1 . 2]" 1
1848 1 86 ILE MG 1 88 TYR H . . 5.030 4.808 4.608 5.128 0.098 16 0 "[ . 1 . 2]" 1
1849 1 87 GLY H 1 87 GLY HA2 . . 2.930 2.962 2.949 2.974 0.044 16 0 "[ . 1 . 2]" 1
1850 1 87 GLY H 1 88 TYR H . . 3.780 3.705 3.489 3.804 0.024 5 0 "[ . 1 . 2]" 1
1851 1 87 GLY H 1 88 TYR HB3 . . 5.500 5.196 4.757 5.482 . 0 0 "[ . 1 . 2]" 1
1852 1 87 GLY H 1 93 PHE QE . . 5.500 5.345 5.042 5.863 0.363 14 0 "[ . 1 . 2]" 1
1853 1 87 GLY H 1 98 ALA MB . . 5.500 3.521 2.783 4.098 . 0 0 "[ . 1 . 2]" 1
1854 1 87 GLY HA2 1 91 HIS H . . 3.970 3.912 3.255 4.012 0.042 3 0 "[ . 1 . 2]" 1
1855 1 87 GLY HA2 1 91 HIS HB2 . . 3.830 2.153 2.061 2.273 . 0 0 "[ . 1 . 2]" 1
1856 1 87 GLY HA2 1 91 HIS HB3 . . 4.270 3.324 2.971 3.628 . 0 0 "[ . 1 . 2]" 1
1857 1 87 GLY HA2 1 93 PHE QD . . 4.540 4.001 3.838 4.171 . 0 0 "[ . 1 . 2]" 1
1858 1 87 GLY HA2 1 93 PHE QE . . 5.120 4.523 3.972 4.791 . 0 0 "[ . 1 . 2]" 1
1859 1 87 GLY HA3 1 91 HIS HB2 . . 3.920 3.572 3.209 3.769 . 0 0 "[ . 1 . 2]" 1
1860 1 87 GLY HA3 1 91 HIS HB3 . . 4.640 4.358 3.885 4.709 0.069 10 0 "[ . 1 . 2]" 1
1861 1 87 GLY HA3 1 93 PHE QD . . 4.150 3.003 2.704 3.279 . 0 0 "[ . 1 . 2]" 1
1862 1 87 GLY HA3 1 93 PHE QE . . 3.670 3.380 2.854 3.763 0.093 14 0 "[ . 1 . 2]" 1
1863 1 88 TYR H 1 88 TYR HB2 . . 3.270 3.194 3.043 3.310 0.040 2 0 "[ . 1 . 2]" 1
1864 1 88 TYR H 1 88 TYR HB3 . . 3.150 2.869 2.749 2.956 . 0 0 "[ . 1 . 2]" 1
1865 1 88 TYR H 1 89 VAL H . . 5.050 4.139 3.973 4.235 . 0 0 "[ . 1 . 2]" 1
1866 1 88 TYR H 1 90 THR H . . 5.500 3.582 3.188 4.051 . 0 0 "[ . 1 . 2]" 1
1867 1 88 TYR H 1 91 HIS HA . . 5.130 5.176 5.164 5.187 0.057 16 0 "[ . 1 . 2]" 1
1868 1 88 TYR H 1 93 PHE QD . . 4.660 4.711 4.687 4.728 0.068 1 0 "[ . 1 . 2]" 1
1869 1 88 TYR H 1 98 ALA MB . . 4.030 4.091 4.067 4.100 0.070 13 0 "[ . 1 . 2]" 1
1870 1 88 TYR HA 1 88 TYR QD . . 2.690 2.105 2.065 2.230 . 0 0 "[ . 1 . 2]" 1
1871 1 88 TYR HA 1 89 VAL H . . 3.020 2.908 2.791 2.997 . 0 0 "[ . 1 . 2]" 1
1872 1 88 TYR HA 1 89 VAL HA . . 4.530 4.610 4.500 4.649 0.119 10 0 "[ . 1 . 2]" 1
1873 1 88 TYR HA 1 89 VAL QG . . 5.130 4.072 3.854 4.447 . 0 0 "[ . 1 . 2]" 1
1874 1 88 TYR HA 1 93 PHE H . . 4.330 3.297 3.017 3.507 . 0 0 "[ . 1 . 2]" 1
1875 1 88 TYR HA 1 93 PHE HB2 . . 3.190 2.250 2.133 2.408 . 0 0 "[ . 1 . 2]" 1
1876 1 88 TYR HA 1 93 PHE HB3 . . 3.990 2.764 2.546 3.180 . 0 0 "[ . 1 . 2]" 1
1877 1 88 TYR HA 1 93 PHE QD . . 5.120 4.015 3.895 4.124 . 0 0 "[ . 1 . 2]" 1
1878 1 88 TYR HA 1 95 LEU HA . . 5.410 4.627 4.369 4.917 . 0 0 "[ . 1 . 2]" 1
1879 1 88 TYR HA 1 98 ALA MB . . 3.880 2.596 2.267 2.888 . 0 0 "[ . 1 . 2]" 1
1880 1 88 TYR HB2 1 89 VAL QG . . 5.500 4.131 3.797 4.788 . 0 0 "[ . 1 . 2]" 1
1881 1 88 TYR HB2 1 98 ALA MB . . 3.300 2.508 2.202 2.739 . 0 0 "[ . 1 . 2]" 1
1882 1 88 TYR HB3 1 89 VAL H . . 4.170 2.681 2.568 2.783 . 0 0 "[ . 1 . 2]" 1
1883 1 88 TYR QD 1 89 VAL H . . 3.150 2.742 2.530 2.841 . 0 0 "[ . 1 . 2]" 1
1884 1 88 TYR QD 1 89 VAL QG . . 3.220 2.498 2.138 3.132 . 0 0 "[ . 1 . 2]" 1
1885 1 88 TYR QD 1 94 ASN HA . . 3.160 3.282 3.189 3.304 0.144 9 0 "[ . 1 . 2]" 1
1886 1 88 TYR QD 1 95 LEU H . . 4.270 3.850 3.647 4.113 . 0 0 "[ . 1 . 2]" 1
1887 1 88 TYR QD 1 95 LEU HA . . 3.410 2.920 2.641 3.185 . 0 0 "[ . 1 . 2]" 1
1888 1 88 TYR QD 1 95 LEU QD . . 3.660 3.510 3.345 3.705 0.045 16 0 "[ . 1 . 2]" 1
1889 1 88 TYR QD 1 98 ALA H . . 5.500 3.991 3.700 4.279 . 0 0 "[ . 1 . 2]" 1
1890 1 88 TYR QD 1 98 ALA MB . . 3.120 2.649 2.276 3.131 0.011 4 0 "[ . 1 . 2]" 1
1891 1 88 TYR QE 1 89 VAL H . . 5.290 3.768 3.550 3.933 . 0 0 "[ . 1 . 2]" 1
1892 1 88 TYR QE 1 89 VAL QG . . 3.910 2.810 2.493 2.961 . 0 0 "[ . 1 . 2]" 1
1893 1 88 TYR QE 1 94 ASN HA . . 3.010 2.971 2.598 3.144 0.134 7 0 "[ . 1 . 2]" 1
1894 1 88 TYR QE 1 95 LEU H . . 2.940 2.630 2.307 2.870 . 0 0 "[ . 1 . 2]" 1
1895 1 88 TYR QE 1 95 LEU HA . . 3.460 2.738 2.171 3.272 . 0 0 "[ . 1 . 2]" 1
1896 1 88 TYR QE 1 95 LEU HB2 . . 3.070 2.542 2.260 2.796 . 0 0 "[ . 1 . 2]" 1
1897 1 88 TYR QE 1 95 LEU HB3 . . 4.700 3.987 3.712 4.334 . 0 0 "[ . 1 . 2]" 1
1898 1 88 TYR QE 1 95 LEU QD . . 3.350 2.838 2.439 3.119 . 0 0 "[ . 1 . 2]" 1
1899 1 89 VAL H 1 89 VAL HA . . 2.920 2.603 2.531 2.712 . 0 0 "[ . 1 . 2]" 1
1900 1 89 VAL H 1 89 VAL QG . . 3.360 1.923 1.847 2.044 . 0 0 "[ . 1 . 2]" 1
1901 1 89 VAL H 1 90 THR H . . 4.550 3.308 3.077 3.531 . 0 0 "[ . 1 . 2]" 1
1902 1 89 VAL H 1 91 HIS H . . 5.300 4.481 4.277 4.752 . 0 0 "[ . 1 . 2]" 1
1903 1 89 VAL H 1 92 GLY H . . 5.070 4.859 4.501 5.065 . 0 0 "[ . 1 . 2]" 1
1904 1 89 VAL H 1 93 PHE H . . 4.340 3.931 3.915 3.941 . 0 0 "[ . 1 . 2]" 1
1905 1 89 VAL H 1 93 PHE HB3 . . 5.350 5.298 4.999 5.465 0.115 8 0 "[ . 1 . 2]" 1
1906 1 89 VAL H 1 94 ASN HA . . 5.500 5.124 4.638 5.544 0.044 10 0 "[ . 1 . 2]" 1
1907 1 89 VAL H 1 98 ALA MB . . 5.500 4.727 4.432 4.990 . 0 0 "[ . 1 . 2]" 1
1908 1 89 VAL HA 1 89 VAL QG . . 3.070 2.218 2.150 2.304 . 0 0 "[ . 1 . 2]" 1
1909 1 89 VAL HA 1 92 GLY H . . 4.060 3.273 2.630 3.667 . 0 0 "[ . 1 . 2]" 1
1910 1 89 VAL HA 1 93 PHE H . . 4.950 3.394 3.000 3.632 . 0 0 "[ . 1 . 2]" 1
1911 1 89 VAL HB 1 90 THR H . . 3.260 3.149 2.611 3.317 0.057 9 0 "[ . 1 . 2]" 1
1912 1 89 VAL HB 1 90 THR MG . . 3.910 3.917 3.390 4.041 0.131 14 0 "[ . 1 . 2]" 1
1913 1 89 VAL QG 1 90 THR H . . 3.970 2.349 1.885 3.457 . 0 0 "[ . 1 . 2]" 1
1914 1 89 VAL QG 1 90 THR HA . . 3.980 3.591 3.307 3.942 . 0 0 "[ . 1 . 2]" 1
1915 1 89 VAL QG 1 90 THR MG . . 4.220 2.600 2.080 4.026 . 0 0 "[ . 1 . 2]" 1
1916 1 89 VAL QG 1 92 GLY H . . 5.500 4.321 3.822 4.568 . 0 0 "[ . 1 . 2]" 1
1917 1 90 THR H 1 90 THR MG . . 2.830 2.254 2.000 2.637 . 0 0 "[ . 1 . 2]" 1
1918 1 90 THR H 1 91 HIS H . . 3.590 2.798 2.659 2.984 . 0 0 "[ . 1 . 2]" 1
1919 1 90 THR H 1 91 HIS HA . . 5.440 5.440 5.357 5.460 0.020 9 0 "[ . 1 . 2]" 1
1920 1 90 THR H 1 92 GLY H . . 4.850 3.976 3.762 4.175 . 0 0 "[ . 1 . 2]" 1
1921 1 90 THR HA 1 90 THR HB . . 2.900 2.584 2.488 2.696 . 0 0 "[ . 1 . 2]" 1
1922 1 90 THR HA 1 90 THR MG . . 3.090 2.279 2.163 2.351 . 0 0 "[ . 1 . 2]" 1
1923 1 90 THR HA 1 91 HIS HA . . 4.780 4.674 4.405 4.867 0.087 8 0 "[ . 1 . 2]" 1
1924 1 90 THR HB 1 91 HIS H . . 4.310 3.636 3.196 4.072 . 0 0 "[ . 1 . 2]" 1
1925 1 90 THR MG 1 91 HIS H . . 4.420 4.073 3.803 4.441 0.021 10 0 "[ . 1 . 2]" 1
1926 1 91 HIS H 1 91 HIS HB2 . . 3.440 2.414 2.194 2.824 . 0 0 "[ . 1 . 2]" 1
1927 1 91 HIS H 1 91 HIS HB3 . . 3.800 3.578 3.143 3.827 0.027 10 0 "[ . 1 . 2]" 1
1928 1 91 HIS H 1 92 GLY HA3 . . 4.920 4.984 4.563 5.280 0.360 20 0 "[ . 1 . 2]" 1
1929 1 91 HIS H 1 93 PHE H . . 4.090 3.286 2.936 4.077 . 0 0 "[ . 1 . 2]" 1
1930 1 91 HIS H 1 93 PHE QD . . 5.500 5.059 4.699 5.566 0.066 8 0 "[ . 1 . 2]" 1
1931 1 91 HIS HA 1 93 PHE H . . 5.430 4.758 4.540 5.232 . 0 0 "[ . 1 . 2]" 1
1932 1 91 HIS HB2 1 91 HIS HD2 . . 3.810 3.816 3.547 3.900 0.090 20 0 "[ . 1 . 2]" 1
1933 1 91 HIS HB2 1 92 GLY H . . 5.170 3.973 3.688 4.406 . 0 0 "[ . 1 . 2]" 1
1934 1 91 HIS HB2 1 93 PHE H . . 4.690 3.678 3.181 4.720 0.030 13 0 "[ . 1 . 2]" 1
1935 1 91 HIS HB2 1 93 PHE QD . . 4.310 3.846 3.420 4.477 0.167 8 0 "[ . 1 . 2]" 1
1936 1 91 HIS HB3 1 91 HIS HD2 . . 2.960 2.633 2.560 2.745 . 0 0 "[ . 1 . 2]" 1
1937 1 92 GLY H 1 93 PHE H . . 3.260 2.719 2.484 2.926 . 0 0 "[ . 1 . 2]" 1
1938 1 93 PHE H 1 93 PHE HB2 . . 3.220 2.259 2.154 2.399 . 0 0 "[ . 1 . 2]" 1
1939 1 93 PHE H 1 93 PHE HB3 . . 3.760 3.496 3.388 3.647 . 0 0 "[ . 1 . 2]" 1
1940 1 93 PHE H 1 93 PHE QD . . 4.460 3.296 3.028 3.568 . 0 0 "[ . 1 . 2]" 1
1941 1 93 PHE H 1 94 ASN H . . 4.890 4.433 4.341 4.516 . 0 0 "[ . 1 . 2]" 1
1942 1 93 PHE HA 1 93 PHE QD . . 2.550 2.465 2.189 2.663 0.113 7 0 "[ . 1 . 2]" 1
1943 1 93 PHE HA 1 94 ASN H . . 2.880 2.210 1.993 2.367 . 0 0 "[ . 1 . 2]" 1
1944 1 93 PHE HA 1 97 GLU HB2 . . 3.920 3.708 3.405 4.021 0.101 1 0 "[ . 1 . 2]" 1
1945 1 93 PHE HA 1 97 GLU HB3 . . 4.270 4.101 3.720 4.386 0.116 2 0 "[ . 1 . 2]" 1
1946 1 93 PHE HA 1 98 ALA H . . 5.250 5.273 5.259 5.284 0.034 20 0 "[ . 1 . 2]" 1
1947 1 93 PHE HB2 1 94 ASN H . . 3.740 3.825 3.616 4.004 0.264 2 0 "[ . 1 . 2]" 1
1948 1 93 PHE HB2 1 94 ASN HA . . 5.280 5.208 5.031 5.331 0.051 4 0 "[ . 1 . 2]" 1
1949 1 93 PHE HB2 1 97 GLU HB2 . . 4.830 4.568 4.055 4.995 0.165 17 0 "[ . 1 . 2]" 1
1950 1 93 PHE HB2 1 98 ALA H . . 4.480 4.530 4.013 4.596 0.116 2 0 "[ . 1 . 2]" 1
1951 1 93 PHE HB2 1 98 ALA MB . . 4.050 3.666 3.208 4.024 . 0 0 "[ . 1 . 2]" 1
1952 1 93 PHE HB3 1 94 ASN H . . 3.670 2.519 2.297 2.780 . 0 0 "[ . 1 . 2]" 1
1953 1 93 PHE HB3 1 97 GLU HB2 . . 3.720 2.867 2.337 3.367 . 0 0 "[ . 1 . 2]" 1
1954 1 93 PHE HB3 1 97 GLU HB3 . . 4.170 3.172 2.567 3.585 . 0 0 "[ . 1 . 2]" 1
1955 1 93 PHE HB3 1 98 ALA H . . 3.790 3.047 2.838 3.163 . 0 0 "[ . 1 . 2]" 1
1956 1 93 PHE HB3 1 98 ALA MB . . 3.450 3.095 2.817 3.388 . 0 0 "[ . 1 . 2]" 1
1957 1 93 PHE QD 1 94 ASN H . . 3.790 3.921 3.903 3.937 0.147 1 0 "[ . 1 . 2]" 1
1958 1 93 PHE QD 1 97 GLU HB2 . . 4.000 3.540 3.122 3.952 . 0 0 "[ . 1 . 2]" 1
1959 1 93 PHE QD 1 97 GLU HB3 . . 3.850 2.756 2.351 3.172 . 0 0 "[ . 1 . 2]" 1
1960 1 93 PHE QD 1 98 ALA H . . 3.780 3.316 3.069 3.694 . 0 0 "[ . 1 . 2]" 1
1961 1 93 PHE QD 1 98 ALA HA . . 2.690 2.537 2.256 2.738 0.048 12 0 "[ . 1 . 2]" 1
1962 1 93 PHE QD 1 98 ALA MB . . 4.000 3.364 3.249 3.477 . 0 0 "[ . 1 . 2]" 1
1963 1 93 PHE QD 1 101 CYS HB3 . . 5.130 3.995 2.731 4.616 . 0 0 "[ . 1 . 2]" 1
1964 1 93 PHE QE 1 98 ALA HA . . 4.710 3.967 3.869 4.209 . 0 0 "[ . 1 . 2]" 1
1965 1 93 PHE QE 1 101 CYS HB2 . . 3.430 2.531 2.196 3.247 . 0 0 "[ . 1 . 2]" 1
1966 1 93 PHE QE 1 101 CYS HB3 . . 4.030 3.280 2.612 3.863 . 0 0 "[ . 1 . 2]" 1
1967 1 94 ASN H 1 94 ASN HB2 . . 4.040 2.991 2.523 3.746 . 0 0 "[ . 1 . 2]" 1
1968 1 94 ASN H 1 94 ASN HB3 . . 4.200 3.224 2.528 3.782 . 0 0 "[ . 1 . 2]" 1
1969 1 94 ASN H 1 94 ASN QD . . 5.360 3.714 2.825 4.721 . 0 0 "[ . 1 . 2]" 1
1970 1 94 ASN H 1 97 GLU H . . 4.680 3.687 3.342 4.044 . 0 0 "[ . 1 . 2]" 1
1971 1 94 ASN H 1 97 GLU HB2 . . 3.550 2.192 1.766 2.613 . 0 0 "[ . 1 . 2]" 1
1972 1 94 ASN H 1 97 GLU HB3 . . 4.000 3.429 2.956 3.799 . 0 0 "[ . 1 . 2]" 1
1973 1 94 ASN H 1 97 GLU HG2 . . 4.710 4.308 3.446 4.740 0.030 20 0 "[ . 1 . 2]" 1
1974 1 94 ASN H 1 97 GLU HG3 . . 4.700 3.205 2.102 3.904 . 0 0 "[ . 1 . 2]" 1
1975 1 94 ASN H 1 98 ALA H . . 4.830 3.843 3.591 4.257 . 0 0 "[ . 1 . 2]" 1
1976 1 94 ASN HA 1 95 LEU H . . 3.230 2.447 2.288 2.592 . 0 0 "[ . 1 . 2]" 1
1977 1 94 ASN HA 1 95 LEU HA . . 4.830 4.202 4.091 4.350 . 0 0 "[ . 1 . 2]" 1
1978 1 94 ASN HA 1 95 LEU HB2 . . 4.950 4.402 4.190 4.677 . 0 0 "[ . 1 . 2]" 1
1979 1 94 ASN HA 1 96 GLU H . . 5.110 4.561 4.211 4.981 . 0 0 "[ . 1 . 2]" 1
1980 1 94 ASN HB2 1 95 LEU H . . 3.590 3.105 2.213 3.700 0.110 19 0 "[ . 1 . 2]" 1
1981 1 94 ASN HB2 1 96 GLU H . . 5.090 3.561 2.775 5.132 0.042 5 0 "[ . 1 . 2]" 1
1982 1 94 ASN HB2 1 96 GLU HB3 . . 5.140 3.760 2.564 5.264 0.124 19 0 "[ . 1 . 2]" 1
1983 1 94 ASN HB2 1 97 GLU HG2 . . 5.010 4.523 3.362 5.867 0.857 14 4 "[ - .* 1 *+. 2]" 1
1984 1 94 ASN HB3 1 95 LEU H . . 3.260 2.947 2.199 3.696 0.436 2 0 "[ . 1 . 2]" 1
1985 1 94 ASN HB3 1 95 LEU HA . . 5.010 5.206 4.686 5.957 0.947 14 6 "[** .* - *+. 2]" 1
1986 1 94 ASN HB3 1 96 GLU H . . 4.410 3.678 2.687 4.883 0.473 10 0 "[ . 1 . 2]" 1
1987 1 94 ASN QD 1 96 GLU H . . 5.490 3.917 2.217 5.058 . 0 0 "[ . 1 . 2]" 1
1988 1 94 ASN QD 1 96 GLU HB3 . . 5.170 3.110 1.868 4.062 . 0 0 "[ . 1 . 2]" 1
1989 1 94 ASN QD 1 97 GLU H . . 5.500 3.284 1.923 4.435 . 0 0 "[ . 1 . 2]" 1
1990 1 94 ASN QD 1 97 GLU HG2 . . 5.490 3.248 1.894 4.151 . 0 0 "[ . 1 . 2]" 1
1991 1 94 ASN QD 1 97 GLU HG3 . . 5.350 3.112 2.015 3.966 . 0 0 "[ . 1 . 2]" 1
1992 1 95 LEU H 1 95 LEU HB2 . . 3.300 2.393 2.238 2.557 . 0 0 "[ . 1 . 2]" 1
1993 1 95 LEU H 1 95 LEU HB3 . . 3.510 2.644 2.465 2.888 . 0 0 "[ . 1 . 2]" 1
1994 1 95 LEU H 1 95 LEU QD . . 4.950 3.631 3.525 3.790 . 0 0 "[ . 1 . 2]" 1
1995 1 95 LEU H 1 95 LEU HG . . 4.950 4.633 4.463 4.959 0.009 19 0 "[ . 1 . 2]" 1
1996 1 95 LEU H 1 96 GLU H . . 3.510 2.673 2.424 2.856 . 0 0 "[ . 1 . 2]" 1
1997 1 95 LEU HA 1 95 LEU QD . . 2.970 2.081 2.031 2.117 . 0 0 "[ . 1 . 2]" 1
1998 1 95 LEU HA 1 95 LEU HG . . 4.210 3.323 3.019 3.766 . 0 0 "[ . 1 . 2]" 1
1999 1 95 LEU HA 1 98 ALA H . . 4.150 3.544 3.282 3.774 . 0 0 "[ . 1 . 2]" 1
2000 1 95 LEU HA 1 98 ALA MB . . 3.350 2.622 2.330 3.028 . 0 0 "[ . 1 . 2]" 1
2001 1 95 LEU HB2 1 125 TYR QE . . 4.580 4.179 3.903 4.626 0.046 1 0 "[ . 1 . 2]" 1
2002 1 95 LEU HB3 1 96 GLU H . . 3.680 2.594 2.243 2.915 . 0 0 "[ . 1 . 2]" 1
2003 1 95 LEU HB3 1 125 TYR QE . . 2.940 2.647 2.332 3.036 0.096 20 0 "[ . 1 . 2]" 1
2004 1 95 LEU QD 1 96 GLU H . . 5.450 3.723 2.857 4.240 . 0 0 "[ . 1 . 2]" 1
2005 1 95 LEU QD 1 98 ALA H . . 5.350 4.503 4.016 4.888 . 0 0 "[ . 1 . 2]" 1
2006 1 95 LEU QD 1 98 ALA MB . . 4.210 2.848 2.552 3.268 . 0 0 "[ . 1 . 2]" 1
2007 1 95 LEU QD 1 99 ALA H . . 5.240 3.826 2.902 4.568 . 0 0 "[ . 1 . 2]" 1
2008 1 95 LEU QD 1 113 VAL HB . . 5.390 3.559 2.929 4.239 . 0 0 "[ . 1 . 2]" 1
2009 1 95 LEU QD 1 113 VAL MG1 . . 3.600 2.253 1.983 2.693 . 0 0 "[ . 1 . 2]" 1
2010 1 95 LEU QD 1 118 ALA HA . . 4.610 3.964 3.085 4.607 . 0 0 "[ . 1 . 2]" 1
2011 1 95 LEU QD 1 118 ALA MB . . 3.720 2.777 2.274 3.574 . 0 0 "[ . 1 . 2]" 1
2012 1 95 LEU QD 1 122 TYR H . . 4.180 3.503 3.030 4.105 . 0 0 "[ . 1 . 2]" 1
2013 1 95 LEU QD 1 122 TYR HA . . 5.010 2.962 2.011 3.866 . 0 0 "[ . 1 . 2]" 1
2014 1 95 LEU QD 1 122 TYR HB2 . . 4.030 2.534 2.051 3.019 . 0 0 "[ . 1 . 2]" 1
2015 1 95 LEU QD 1 122 TYR HB3 . . 4.730 3.775 3.305 4.238 . 0 0 "[ . 1 . 2]" 1
2016 1 95 LEU QD 1 122 TYR QD . . 2.750 1.983 1.713 2.181 . 0 0 "[ . 1 . 2]" 1
2017 1 95 LEU QD 1 122 TYR QE . . 3.860 2.732 2.205 3.356 . 0 0 "[ . 1 . 2]" 1
2018 1 95 LEU QD 1 125 TYR QD . . 4.490 3.109 1.918 3.994 . 0 0 "[ . 1 . 2]" 1
2019 1 95 LEU QD 1 125 TYR QE . . 3.860 2.372 2.082 2.940 . 0 0 "[ . 1 . 2]" 1
2020 1 95 LEU HG 1 122 TYR HA . . 5.100 3.475 2.795 4.060 . 0 0 "[ . 1 . 2]" 1
2021 1 95 LEU HG 1 122 TYR QD . . 2.850 2.525 2.128 3.004 0.154 19 0 "[ . 1 . 2]" 1
2022 1 95 LEU HG 1 125 TYR QD . . 3.730 3.328 2.723 3.890 0.160 11 0 "[ . 1 . 2]" 1
2023 1 95 LEU HG 1 125 TYR QE . . 4.450 2.693 2.242 3.047 . 0 0 "[ . 1 . 2]" 1
2024 1 96 GLU H 1 96 GLU HB2 . . 3.210 2.412 2.114 2.780 . 0 0 "[ . 1 . 2]" 1
2025 1 96 GLU H 1 96 GLU HB3 . . 3.040 2.442 2.202 2.660 . 0 0 "[ . 1 . 2]" 1
2026 1 96 GLU H 1 96 GLU HG2 . . 4.530 4.424 4.288 4.497 . 0 0 "[ . 1 . 2]" 1
2027 1 96 GLU H 1 96 GLU HG3 . . 4.650 4.424 4.238 4.643 . 0 0 "[ . 1 . 2]" 1
2028 1 96 GLU H 1 97 GLU H . . 3.360 2.905 2.681 3.340 . 0 0 "[ . 1 . 2]" 1
2029 1 96 GLU H 1 98 ALA H . . 4.640 4.303 3.878 4.610 . 0 0 "[ . 1 . 2]" 1
2030 1 96 GLU H 1 125 TYR QE . . 4.070 3.686 3.495 3.753 . 0 0 "[ . 1 . 2]" 1
2031 1 96 GLU HA 1 96 GLU HG2 . . 3.490 2.965 2.369 3.322 . 0 0 "[ . 1 . 2]" 1
2032 1 96 GLU HA 1 96 GLU HG3 . . 3.570 2.812 2.314 3.634 0.064 12 0 "[ . 1 . 2]" 1
2033 1 96 GLU HA 1 98 ALA H . . 5.120 4.720 4.453 4.966 . 0 0 "[ . 1 . 2]" 1
2034 1 96 GLU HA 1 99 ALA H . . 4.010 3.657 3.258 4.039 0.029 15 0 "[ . 1 . 2]" 1
2035 1 96 GLU HA 1 99 ALA MB . . 3.370 2.736 2.479 3.107 . 0 0 "[ . 1 . 2]" 1
2036 1 96 GLU HA 1 100 ARG H . . 4.890 4.060 3.859 4.492 . 0 0 "[ . 1 . 2]" 1
2037 1 96 GLU HA 1 125 TYR QD . . 2.940 2.701 2.290 3.039 0.099 9 0 "[ . 1 . 2]" 1
2038 1 96 GLU HA 1 125 TYR QE . . 3.320 3.603 3.079 3.966 0.646 10 3 "[ * . +- . 2]" 1
2039 1 96 GLU HB2 1 97 GLU H . . 4.450 3.819 3.686 4.116 . 0 0 "[ . 1 . 2]" 1
2040 1 96 GLU HB2 1 125 TYR QD . . 5.160 3.723 3.068 4.219 . 0 0 "[ . 1 . 2]" 1
2041 1 96 GLU HB2 1 125 TYR QE . . 4.970 3.311 2.758 3.829 . 0 0 "[ . 1 . 2]" 1
2042 1 96 GLU HB3 1 97 GLU H . . 3.520 2.441 2.209 2.825 . 0 0 "[ . 1 . 2]" 1
2043 1 96 GLU HG2 1 97 GLU H . . 4.670 3.712 3.030 4.760 0.090 4 0 "[ . 1 . 2]" 1
2044 1 96 GLU HG2 1 125 TYR HB3 . . 4.650 3.827 2.178 4.736 0.086 15 0 "[ . 1 . 2]" 1
2045 1 96 GLU HG2 1 125 TYR QD . . 4.840 4.199 2.847 4.978 0.138 14 0 "[ . 1 . 2]" 1
2046 1 96 GLU HG3 1 97 GLU H . . 5.190 4.682 4.296 5.207 0.017 4 0 "[ . 1 . 2]" 1
2047 1 96 GLU HG3 1 125 TYR HB2 . . 5.160 4.724 3.958 6.137 0.977 3 1 "[ + . 1 . 2]" 1
2048 1 96 GLU HG3 1 125 TYR HB3 . . 5.010 3.304 2.316 4.748 . 0 0 "[ . 1 . 2]" 1
2049 1 96 GLU HG3 1 125 TYR QD . . 4.730 3.073 2.403 4.170 . 0 0 "[ . 1 . 2]" 1
2050 1 96 GLU HG3 1 125 TYR QE . . 4.840 3.773 2.739 4.943 0.103 10 0 "[ . 1 . 2]" 1
2051 1 97 GLU H 1 97 GLU HB2 . . 3.290 2.251 2.022 2.486 . 0 0 "[ . 1 . 2]" 1
2052 1 97 GLU H 1 97 GLU HB3 . . 3.810 3.505 3.361 3.628 . 0 0 "[ . 1 . 2]" 1
2053 1 97 GLU H 1 97 GLU HG2 . . 3.500 2.724 2.019 3.328 . 0 0 "[ . 1 . 2]" 1
2054 1 97 GLU H 1 97 GLU HG3 . . 3.790 3.386 2.892 3.879 0.089 18 0 "[ . 1 . 2]" 1
2055 1 97 GLU H 1 98 ALA H . . 3.290 2.835 2.616 3.049 . 0 0 "[ . 1 . 2]" 1
2056 1 97 GLU HA 1 97 GLU HG2 . . 3.760 2.469 2.181 2.820 . 0 0 "[ . 1 . 2]" 1
2057 1 97 GLU HA 1 97 GLU HG3 . . 3.340 3.590 3.389 3.868 0.528 9 2 "[ . +1 . -2]" 1
2058 1 97 GLU HA 1 99 ALA H . . 5.500 4.574 4.235 4.973 . 0 0 "[ . 1 . 2]" 1
2059 1 97 GLU HA 1 100 ARG H . . 3.940 3.447 3.147 3.813 . 0 0 "[ . 1 . 2]" 1
2060 1 97 GLU HA 1 100 ARG QB . . 3.410 2.856 2.216 3.533 0.123 6 0 "[ . 1 . 2]" 1
2061 1 97 GLU HA 1 100 ARG HD2 . . 4.530 4.173 2.424 4.656 0.126 20 0 "[ . 1 . 2]" 1
2062 1 97 GLU HA 1 100 ARG HD3 . . 4.530 3.577 2.337 4.664 0.134 1 0 "[ . 1 . 2]" 1
2063 1 97 GLU HA 1 100 ARG HG3 . . 4.030 3.564 2.101 4.513 0.483 12 0 "[ . 1 . 2]" 1
2064 1 97 GLU HA 1 101 CYS H . . 5.500 3.872 3.577 4.282 . 0 0 "[ . 1 . 2]" 1
2065 1 97 GLU HB2 1 98 ALA H . . 3.700 2.690 2.283 3.053 . 0 0 "[ . 1 . 2]" 1
2066 1 98 ALA H 1 98 ALA MB . . 3.040 2.183 2.128 2.250 . 0 0 "[ . 1 . 2]" 1
2067 1 98 ALA H 1 99 ALA H . . 3.160 2.958 2.850 3.138 . 0 0 "[ . 1 . 2]" 1
2068 1 98 ALA H 1 100 ARG H . . 4.960 4.357 4.151 4.540 . 0 0 "[ . 1 . 2]" 1
2069 1 98 ALA HA 1 100 ARG H . . 4.820 4.642 4.405 4.800 . 0 0 "[ . 1 . 2]" 1
2070 1 98 ALA HA 1 101 CYS H . . 3.790 3.588 3.049 3.890 0.100 6 0 "[ . 1 . 2]" 1
2071 1 98 ALA HA 1 101 CYS HB2 . . 3.670 3.337 2.477 3.776 0.106 3 0 "[ . 1 . 2]" 1
2072 1 98 ALA HA 1 101 CYS HB3 . . 3.840 3.172 2.136 3.778 . 0 0 "[ . 1 . 2]" 1
2073 1 98 ALA MB 1 99 ALA H . . 3.360 2.462 2.283 2.867 . 0 0 "[ . 1 . 2]" 1
2074 1 98 ALA MB 1 99 ALA HA . . 5.130 3.900 3.777 4.045 . 0 0 "[ . 1 . 2]" 1
2075 1 98 ALA MB 1 102 MET QG . . 4.390 3.725 3.116 4.046 . 0 0 "[ . 1 . 2]" 1
2076 1 98 ALA MB 1 122 TYR QE . . 4.770 2.448 2.050 2.897 . 0 0 "[ . 1 . 2]" 1
2077 1 99 ALA H 1 99 ALA MB . . 2.960 2.157 2.099 2.224 . 0 0 "[ . 1 . 2]" 1
2078 1 99 ALA H 1 100 ARG H . . 3.390 2.781 2.588 2.945 . 0 0 "[ . 1 . 2]" 1
2079 1 99 ALA H 1 100 ARG HA . . 5.330 5.341 5.250 5.370 0.040 19 0 "[ . 1 . 2]" 1
2080 1 99 ALA H 1 101 CYS H . . 4.850 4.201 3.804 4.420 . 0 0 "[ . 1 . 2]" 1
2081 1 99 ALA H 1 122 TYR QD . . 4.540 4.314 3.805 4.692 0.152 19 0 "[ . 1 . 2]" 1
2082 1 99 ALA H 1 122 TYR QE . . 3.270 3.286 2.841 3.405 0.135 7 0 "[ . 1 . 2]" 1
2083 1 99 ALA H 1 125 TYR HB3 . . 4.960 4.913 4.604 5.227 0.267 13 0 "[ . 1 . 2]" 1
2084 1 99 ALA HA 1 101 CYS H . . 4.290 4.552 4.185 4.802 0.512 5 1 "[ + 1 . 2]" 1
2085 1 99 ALA HA 1 102 MET H . . 3.850 3.479 3.126 3.804 . 0 0 "[ . 1 . 2]" 1
2086 1 99 ALA HA 1 102 MET QB . . 3.340 2.724 2.341 3.474 0.134 1 0 "[ . 1 . 2]" 1
2087 1 99 ALA HA 1 102 MET QG . . 3.820 3.541 2.381 3.937 0.117 9 0 "[ . 1 . 2]" 1
2088 1 99 ALA HA 1 122 TYR QD . . 4.730 4.239 3.899 4.532 . 0 0 "[ . 1 . 2]" 1
2089 1 99 ALA HA 1 122 TYR QE . . 3.420 2.859 2.566 2.977 . 0 0 "[ . 1 . 2]" 1
2090 1 99 ALA HA 1 126 LEU QD . . 4.440 2.734 2.113 3.405 . 0 0 "[ . 1 . 2]" 1
2091 1 99 ALA MB 1 100 ARG H . . 3.380 2.427 2.324 2.626 . 0 0 "[ . 1 . 2]" 1
2092 1 99 ALA MB 1 100 ARG HA . . 5.360 3.810 3.702 3.939 . 0 0 "[ . 1 . 2]" 1
2093 1 99 ALA MB 1 101 CYS H . . 5.500 4.503 4.255 4.696 . 0 0 "[ . 1 . 2]" 1
2094 1 99 ALA MB 1 102 MET H . . 5.500 4.588 4.377 4.836 . 0 0 "[ . 1 . 2]" 1
2095 1 99 ALA MB 1 122 TYR QE . . 3.720 3.020 2.691 3.311 . 0 0 "[ . 1 . 2]" 1
2096 1 99 ALA MB 1 125 TYR H . . 5.500 4.032 3.761 4.395 . 0 0 "[ . 1 . 2]" 1
2097 1 99 ALA MB 1 125 TYR HB2 . . 3.370 2.116 1.993 2.376 . 0 0 "[ . 1 . 2]" 1
2098 1 99 ALA MB 1 125 TYR HB3 . . 3.290 2.574 2.200 3.002 . 0 0 "[ . 1 . 2]" 1
2099 1 99 ALA MB 1 125 TYR QD . . 3.110 2.662 2.201 3.026 . 0 0 "[ . 1 . 2]" 1
2100 1 99 ALA MB 1 126 LEU H . . 4.270 3.141 2.580 3.831 . 0 0 "[ . 1 . 2]" 1
2101 1 99 ALA MB 1 126 LEU HA . . 4.160 3.313 2.694 3.954 . 0 0 "[ . 1 . 2]" 1
2102 1 99 ALA MB 1 126 LEU QD . . 3.890 2.265 1.924 3.205 . 0 0 "[ . 1 . 2]" 1
2103 1 100 ARG H 1 100 ARG QB . . 2.900 2.422 2.124 2.754 . 0 0 "[ . 1 . 2]" 1
2104 1 100 ARG H 1 100 ARG HD2 . . 4.800 4.633 3.656 4.962 0.162 16 0 "[ . 1 . 2]" 1
2105 1 100 ARG H 1 100 ARG HD3 . . 4.990 4.424 3.929 4.986 . 0 0 "[ . 1 . 2]" 1
2106 1 100 ARG H 1 100 ARG HG2 . . 4.210 3.232 2.559 3.626 . 0 0 "[ . 1 . 2]" 1
2107 1 100 ARG H 1 100 ARG HG3 . . 3.470 2.803 2.141 4.236 0.766 12 4 "[ * . 1 + -* 2]" 1
2108 1 100 ARG H 1 101 CYS H . . 3.170 2.746 2.458 2.933 . 0 0 "[ . 1 . 2]" 1
2109 1 100 ARG H 1 102 MET H . . 4.430 4.173 3.973 4.450 0.020 9 0 "[ . 1 . 2]" 1
2110 1 100 ARG HA 1 100 ARG HD3 . . 4.710 4.638 3.886 5.510 0.800 12 1 "[ . 1 + . 2]" 1
2111 1 100 ARG HA 1 100 ARG HG2 . . 3.670 2.882 2.296 4.184 0.514 6 1 "[ .+ 1 . 2]" 1
2112 1 100 ARG HA 1 100 ARG HG3 . . 4.060 3.335 2.905 3.773 . 0 0 "[ . 1 . 2]" 1
2113 1 100 ARG HA 1 101 CYS H . . 3.650 3.546 3.462 3.643 . 0 0 "[ . 1 . 2]" 1
2114 1 100 ARG HA 1 102 MET H . . 4.960 4.359 4.084 4.790 . 0 0 "[ . 1 . 2]" 1
2115 1 100 ARG HA 1 103 ARG H . . 4.250 3.619 2.852 3.983 . 0 0 "[ . 1 . 2]" 1
2116 1 100 ARG HA 1 103 ARG QB . . 5.250 3.615 2.427 4.147 . 0 0 "[ . 1 . 2]" 1
2117 1 100 ARG HA 1 103 ARG QD . . 3.660 3.107 2.280 3.760 0.100 3 0 "[ . 1 . 2]" 1
2118 1 100 ARG HA 1 103 ARG QG . . 3.660 2.835 2.085 3.645 . 0 0 "[ . 1 . 2]" 1
2119 1 100 ARG QB 1 100 ARG HD2 . . 3.450 2.969 2.206 3.479 0.029 6 0 "[ . 1 . 2]" 1
2120 1 100 ARG QB 1 100 ARG HD3 . . 3.380 2.558 2.131 3.379 . 0 0 "[ . 1 . 2]" 1
2121 1 100 ARG QB 1 101 CYS H . . 3.710 2.891 2.380 3.383 . 0 0 "[ . 1 . 2]" 1
2122 1 100 ARG HG2 1 101 CYS H . . 5.090 4.278 2.255 5.114 0.024 11 0 "[ . 1 . 2]" 1
2123 1 101 CYS H 1 101 CYS HB2 . . 3.240 2.297 2.008 3.497 0.257 12 0 "[ . 1 . 2]" 1
2124 1 101 CYS H 1 101 CYS HB3 . . 3.400 2.902 2.201 3.319 . 0 0 "[ . 1 . 2]" 1
2125 1 101 CYS H 1 102 MET H . . 3.030 2.706 2.498 2.812 . 0 0 "[ . 1 . 2]" 1
2126 1 101 CYS HB2 1 102 MET H . . 3.790 3.729 2.989 4.016 0.226 12 0 "[ . 1 . 2]" 1
2127 1 101 CYS HB3 1 102 MET H . . 3.900 2.985 2.609 3.433 . 0 0 "[ . 1 . 2]" 1
2128 1 102 MET H 1 102 MET QB . . 3.360 2.290 2.078 2.603 . 0 0 "[ . 1 . 2]" 1
2129 1 102 MET H 1 102 MET QG . . 3.240 2.851 2.398 3.171 . 0 0 "[ . 1 . 2]" 1
2130 1 102 MET H 1 103 ARG H . . 3.480 2.767 2.643 2.877 . 0 0 "[ . 1 . 2]" 1
2131 1 102 MET H 1 103 ARG QB . . 4.880 4.807 4.648 4.834 . 0 0 "[ . 1 . 2]" 1
2132 1 102 MET H 1 104 SER H . . 5.090 4.241 3.967 4.419 . 0 0 "[ . 1 . 2]" 1
2133 1 102 MET H 1 126 LEU QD . . 5.110 4.314 3.848 4.849 . 0 0 "[ . 1 . 2]" 1
2134 1 102 MET HA 1 102 MET ME . . 3.560 4.100 3.658 4.459 0.899 10 12 "[* ***- *+* * *** 2]" 1
2135 1 102 MET HA 1 102 MET QG . . 3.640 2.419 2.087 3.390 . 0 0 "[ . 1 . 2]" 1
2136 1 102 MET HA 1 104 SER H . . 4.140 3.660 3.419 4.018 . 0 0 "[ . 1 . 2]" 1
2137 1 102 MET HA 1 105 LEU H . . 3.910 3.282 2.921 3.624 . 0 0 "[ . 1 . 2]" 1
2138 1 102 MET HA 1 105 LEU HB2 . . 4.640 3.262 2.882 3.744 . 0 0 "[ . 1 . 2]" 1
2139 1 102 MET HA 1 105 LEU HB3 . . 3.980 3.640 2.635 4.683 0.703 1 1 "[+ . 1 . 2]" 1
2140 1 102 MET HA 1 105 LEU QD . . 5.150 4.023 3.692 4.487 . 0 0 "[ . 1 . 2]" 1
2141 1 102 MET QB 1 102 MET ME . . 3.630 3.338 2.342 3.691 0.061 7 0 "[ . 1 . 2]" 1
2142 1 102 MET QB 1 103 ARG H . . 4.380 3.132 2.717 3.862 . 0 0 "[ . 1 . 2]" 1
2143 1 102 MET QB 1 122 TYR QE . . 4.200 3.577 2.892 4.353 0.153 1 0 "[ . 1 . 2]" 1
2144 1 102 MET QB 1 126 LEU QD . . 4.840 2.943 2.386 4.284 . 0 0 "[ . 1 . 2]" 1
2145 1 102 MET ME 1 102 MET QG . . 3.120 2.272 2.168 2.464 . 0 0 "[ . 1 . 2]" 1
2146 1 102 MET ME 1 105 LEU QD . . 3.510 3.276 2.678 3.590 0.080 12 0 "[ . 1 . 2]" 1
2147 1 102 MET ME 1 111 VAL QG . . 2.860 1.992 1.814 2.322 . 0 0 "[ . 1 . 2]" 1
2148 1 102 MET ME 1 122 TYR QE . . 4.780 4.405 3.629 4.918 0.138 2 0 "[ . 1 . 2]" 1
2149 1 102 MET QG 1 103 ARG H . . 4.580 4.523 3.060 4.801 0.221 5 0 "[ . 1 . 2]" 1
2150 1 102 MET QG 1 111 VAL QG . . 5.430 3.109 2.187 3.760 . 0 0 "[ . 1 . 2]" 1
2151 1 102 MET QG 1 122 TYR QE . . 3.740 3.633 2.837 3.886 0.146 19 0 "[ . 1 . 2]" 1
2152 1 103 ARG H 1 103 ARG QB . . 3.540 2.393 2.290 2.482 . 0 0 "[ . 1 . 2]" 1
2153 1 103 ARG H 1 103 ARG QD . . 4.170 3.929 3.537 4.236 0.066 1 0 "[ . 1 . 2]" 1
2154 1 103 ARG H 1 103 ARG QG . . 3.240 2.291 1.969 2.498 . 0 0 "[ . 1 . 2]" 1
2155 1 103 ARG H 1 104 SER H . . 3.150 2.739 2.577 2.968 . 0 0 "[ . 1 . 2]" 1
2156 1 103 ARG H 1 126 LEU QD . . 4.570 3.504 2.885 4.131 . 0 0 "[ . 1 . 2]" 1
2157 1 103 ARG HA 1 103 ARG QD . . 4.240 4.121 3.812 4.371 0.131 16 0 "[ . 1 . 2]" 1
2158 1 103 ARG HA 1 105 LEU H . . 4.280 3.580 3.299 4.062 . 0 0 "[ . 1 . 2]" 1
2159 1 103 ARG HA 1 126 LEU QD . . 4.830 3.337 2.501 3.955 . 0 0 "[ . 1 . 2]" 1
2160 1 103 ARG QB 1 103 ARG QD . . 3.110 2.249 2.051 2.462 . 0 0 "[ . 1 . 2]" 1
2161 1 103 ARG QB 1 104 SER H . . 3.960 3.108 2.704 3.653 . 0 0 "[ . 1 . 2]" 1
2162 1 103 ARG QD 1 104 SER H . . 5.490 5.126 3.679 5.611 0.121 4 0 "[ . 1 . 2]" 1
2163 1 103 ARG QD 1 126 LEU HA . . 4.430 3.182 2.047 4.552 0.122 17 0 "[ . 1 . 2]" 1
2164 1 103 ARG QD 1 126 LEU QD . . 4.730 2.964 2.200 4.199 . 0 0 "[ . 1 . 2]" 1
2165 1 103 ARG QG 1 104 SER H . . 4.530 4.029 2.199 4.528 . 0 0 "[ . 1 . 2]" 1
2166 1 103 ARG QG 1 126 LEU HA . . 4.750 3.457 2.888 4.062 . 0 0 "[ . 1 . 2]" 1
2167 1 103 ARG QG 1 126 LEU QD . . 4.660 2.229 1.850 3.385 . 0 0 "[ . 1 . 2]" 1
2168 1 104 SER H 1 104 SER QB . . 3.040 2.336 2.135 2.554 . 0 0 "[ . 1 . 2]" 1
2169 1 104 SER H 1 105 LEU HB3 . . 5.380 4.850 4.529 5.195 . 0 0 "[ . 1 . 2]" 1
2170 1 104 SER HA 1 106 LYS QD . . 4.000 3.816 3.115 4.119 0.119 9 0 "[ . 1 . 2]" 1
2171 1 104 SER HA 1 106 LYS QE . . 4.900 4.549 3.075 5.037 0.137 3 0 "[ . 1 . 2]" 1
2172 1 104 SER QB 1 105 LEU H . . 4.120 3.350 3.025 3.615 . 0 0 "[ . 1 . 2]" 1
2173 1 105 LEU H 1 105 LEU HB2 . . 3.080 2.691 2.420 2.948 . 0 0 "[ . 1 . 2]" 1
2174 1 105 LEU H 1 105 LEU HB3 . . 3.220 2.417 2.266 2.579 . 0 0 "[ . 1 . 2]" 1
2175 1 105 LEU H 1 105 LEU QD . . 4.450 3.781 3.688 3.856 . 0 0 "[ . 1 . 2]" 1
2176 1 105 LEU H 1 105 LEU HG . . 4.630 4.443 4.257 4.625 . 0 0 "[ . 1 . 2]" 1
2177 1 105 LEU H 1 106 LYS H . . 4.750 4.517 4.385 4.646 . 0 0 "[ . 1 . 2]" 1
2178 1 105 LEU HA 1 105 LEU QD . . 3.070 2.418 2.131 2.690 . 0 0 "[ . 1 . 2]" 1
2179 1 105 LEU HA 1 105 LEU HG . . 4.230 3.144 2.800 3.774 . 0 0 "[ . 1 . 2]" 1
2180 1 105 LEU HA 1 106 LYS H . . 2.810 2.193 2.070 2.298 . 0 0 "[ . 1 . 2]" 1
2181 1 105 LEU HA 1 107 ALA H . . 4.160 3.926 3.492 4.181 0.021 2 0 "[ . 1 . 2]" 1
2182 1 105 LEU HB2 1 105 LEU QD . . 3.270 2.207 2.134 2.483 . 0 0 "[ . 1 . 2]" 1
2183 1 105 LEU HB2 1 106 LYS H . . 4.790 4.154 3.917 4.363 . 0 0 "[ . 1 . 2]" 1
2184 1 105 LEU HB2 1 107 ALA H . . 4.950 4.788 4.489 5.332 0.382 18 0 "[ . 1 . 2]" 1
2185 1 105 LEU HB3 1 105 LEU QD . . 3.070 2.205 2.125 2.332 . 0 0 "[ . 1 . 2]" 1
2186 1 105 LEU HB3 1 106 LYS H . . 4.700 4.028 3.803 4.285 . 0 0 "[ . 1 . 2]" 1
2187 1 105 LEU QD 1 106 LYS H . . 3.510 2.551 1.718 3.152 . 0 0 "[ . 1 . 2]" 1
2188 1 105 LEU QD 1 107 ALA H . . 3.510 2.562 1.650 3.263 . 0 0 "[ . 1 . 2]" 1
2189 1 105 LEU QD 1 107 ALA MB . . 3.390 2.297 1.977 3.090 . 0 0 "[ . 1 . 2]" 1
2190 1 105 LEU QD 1 109 ALA MB . . 3.550 2.120 1.855 2.867 . 0 0 "[ . 1 . 2]" 1
2191 1 105 LEU HG 1 106 LYS H . . 4.510 2.916 2.413 4.182 . 0 0 "[ . 1 . 2]" 1
2192 1 105 LEU HG 1 106 LYS HA . . 4.970 4.329 3.972 5.124 0.154 20 0 "[ . 1 . 2]" 1
2193 1 105 LEU HG 1 107 ALA H . . 3.640 2.237 1.662 3.664 0.024 20 0 "[ . 1 . 2]" 1
2194 1 105 LEU HG 1 107 ALA MB . . 4.590 3.024 2.552 4.016 . 0 0 "[ . 1 . 2]" 1
2195 1 105 LEU HG 1 109 ALA MB . . 4.850 4.150 3.680 4.592 . 0 0 "[ . 1 . 2]" 1
2196 1 106 LYS H 1 106 LYS HB2 . . 3.500 2.617 2.418 2.943 . 0 0 "[ . 1 . 2]" 1
2197 1 106 LYS H 1 106 LYS HB3 . . 3.830 3.741 3.632 3.909 0.079 14 0 "[ . 1 . 2]" 1
2198 1 106 LYS H 1 106 LYS HG2 . . 4.000 2.904 2.417 4.030 0.030 13 0 "[ . 1 . 2]" 1
2199 1 106 LYS H 1 106 LYS HG3 . . 4.040 3.814 2.710 4.124 0.084 12 0 "[ . 1 . 2]" 1
2200 1 106 LYS H 1 107 ALA H . . 3.050 2.352 1.943 2.940 . 0 0 "[ . 1 . 2]" 1
2201 1 106 LYS H 1 107 ALA MB . . 4.350 3.745 3.501 4.037 . 0 0 "[ . 1 . 2]" 1
2202 1 106 LYS HA 1 106 LYS HG2 . . 3.640 3.148 2.744 3.396 . 0 0 "[ . 1 . 2]" 1
2203 1 106 LYS HA 1 106 LYS HG3 . . 3.840 3.703 2.723 3.969 0.129 14 0 "[ . 1 . 2]" 1
2204 1 106 LYS HB2 1 107 ALA H . . 4.270 3.676 2.574 4.181 . 0 0 "[ . 1 . 2]" 1
2205 1 106 LYS HB3 1 107 ALA H . . 4.850 4.365 3.669 4.612 . 0 0 "[ . 1 . 2]" 1
2206 1 106 LYS QD 1 106 LYS HG3 . . 2.400 2.406 2.082 2.573 0.173 16 0 "[ . 1 . 2]" 1
2207 1 107 ALA H 1 107 ALA MB . . 2.970 2.344 2.041 2.693 . 0 0 "[ . 1 . 2]" 1
2208 1 107 ALA H 1 108 PRO QD . . 4.960 4.385 4.280 4.472 . 0 0 "[ . 1 . 2]" 1
2209 1 107 ALA HA 1 108 PRO QD . . 2.860 2.117 2.018 2.241 . 0 0 "[ . 1 . 2]" 1
2210 1 107 ALA HA 1 108 PRO QG . . 4.120 4.014 3.834 4.204 0.084 18 0 "[ . 1 . 2]" 1
2211 1 107 ALA MB 1 108 PRO QD . . 3.590 2.193 2.030 2.398 . 0 0 "[ . 1 . 2]" 1
2212 1 108 PRO HA 1 109 ALA H . . 2.710 2.339 2.174 2.552 . 0 0 "[ . 1 . 2]" 1
2213 1 108 PRO HA 1 109 ALA MB . . 4.820 4.043 3.815 4.228 . 0 0 "[ . 1 . 2]" 1
2214 1 108 PRO QB 1 109 ALA H . . 3.990 3.283 2.831 3.763 . 0 0 "[ . 1 . 2]" 1
2215 1 108 PRO QG 1 109 ALA H . . 5.160 4.820 4.382 5.029 . 0 0 "[ . 1 . 2]" 1
2216 1 109 ALA H 1 109 ALA MB . . 3.320 2.562 2.148 2.794 . 0 0 "[ . 1 . 2]" 1
2217 1 109 ALA H 1 110 VAL H . . 4.310 4.286 4.021 4.356 0.046 1 0 "[ . 1 . 2]" 1
2218 1 109 ALA HA 1 110 VAL H . . 2.800 2.256 2.111 2.512 . 0 0 "[ . 1 . 2]" 1
2219 1 109 ALA MB 1 110 VAL H . . 3.510 2.797 2.158 3.500 . 0 0 "[ . 1 . 2]" 1
2220 1 109 ALA MB 1 111 VAL QG . . 3.440 2.800 2.248 3.436 . 0 0 "[ . 1 . 2]" 1
2221 1 110 VAL H 1 110 VAL HB . . 3.290 2.516 2.279 2.915 . 0 0 "[ . 1 . 2]" 1
2222 1 110 VAL H 1 110 VAL MG1 . . 4.570 3.788 3.641 3.932 . 0 0 "[ . 1 . 2]" 1
2223 1 110 VAL H 1 110 VAL MG2 . . 3.690 2.863 2.408 3.348 . 0 0 "[ . 1 . 2]" 1
2224 1 110 VAL HA 1 110 VAL MG1 . . 3.370 2.497 2.296 2.674 . 0 0 "[ . 1 . 2]" 1
2225 1 110 VAL HA 1 110 VAL MG2 . . 3.250 2.334 2.148 2.525 . 0 0 "[ . 1 . 2]" 1
2226 1 110 VAL HA 1 111 VAL H . . 2.770 2.198 2.104 2.268 . 0 0 "[ . 1 . 2]" 1
2227 1 110 VAL HA 1 111 VAL HA . . 4.890 4.458 4.362 4.542 . 0 0 "[ . 1 . 2]" 1
2228 1 110 VAL HA 1 111 VAL QG . . 4.220 3.474 3.058 3.728 . 0 0 "[ . 1 . 2]" 1
2229 1 110 VAL MG1 1 111 VAL H . . 3.630 2.945 2.295 3.523 . 0 0 "[ . 1 . 2]" 1
2230 1 110 VAL MG1 1 111 VAL HA . . 4.260 4.017 3.640 4.394 0.134 3 0 "[ . 1 . 2]" 1
2231 1 110 VAL MG2 1 111 VAL H . . 4.730 3.994 3.508 4.412 . 0 0 "[ . 1 . 2]" 1
2232 1 111 VAL H 1 111 VAL HB . . 3.240 2.818 2.427 3.134 . 0 0 "[ . 1 . 2]" 1
2233 1 111 VAL H 1 111 VAL QG . . 3.510 2.311 1.909 2.654 . 0 0 "[ . 1 . 2]" 1
2234 1 111 VAL HA 1 111 VAL QG . . 3.040 2.155 2.046 2.413 . 0 0 "[ . 1 . 2]" 1
2235 1 111 VAL HA 1 112 SER H . . 2.970 2.366 2.104 2.628 . 0 0 "[ . 1 . 2]" 1
2236 1 111 VAL HB 1 112 SER H . . 4.120 3.937 3.416 4.440 0.320 18 0 "[ . 1 . 2]" 1
2237 1 111 VAL HB 1 122 TYR QE . . 4.710 3.841 2.994 4.838 0.128 16 0 "[ . 1 . 2]" 1
2238 1 111 VAL QG 1 112 SER H . . 3.450 2.648 1.953 3.368 . 0 0 "[ . 1 . 2]" 1
2239 1 111 VAL QG 1 122 TYR QD . . 5.080 3.663 3.324 4.161 . 0 0 "[ . 1 . 2]" 1
2240 1 111 VAL QG 1 122 TYR QE . . 2.880 2.543 2.203 2.810 . 0 0 "[ . 1 . 2]" 1
2241 1 112 SER H 1 112 SER QB . . 3.540 2.527 2.172 2.857 . 0 0 "[ . 1 . 2]" 1
2242 1 112 SER HA 1 113 VAL H . . 2.870 2.269 2.046 2.556 . 0 0 "[ . 1 . 2]" 1
2243 1 112 SER HA 1 113 VAL MG2 . . 4.690 3.501 2.785 3.912 . 0 0 "[ . 1 . 2]" 1
2244 1 112 SER QB 1 113 VAL H . . 4.860 3.528 2.884 4.023 . 0 0 "[ . 1 . 2]" 1
2245 1 113 VAL H 1 113 VAL MG1 . . 3.920 3.081 2.543 3.564 . 0 0 "[ . 1 . 2]" 1
2246 1 113 VAL H 1 113 VAL MG2 . . 3.100 2.150 1.803 2.492 . 0 0 "[ . 1 . 2]" 1
2247 1 113 VAL H 1 114 SER H . . 4.660 4.472 4.322 4.585 . 0 0 "[ . 1 . 2]" 1
2248 1 113 VAL H 1 119 VAL QG . . 4.850 3.483 2.831 3.994 . 0 0 "[ . 1 . 2]" 1
2249 1 113 VAL HA 1 113 VAL HB . . 2.970 2.525 2.414 2.680 . 0 0 "[ . 1 . 2]" 1
2250 1 113 VAL HA 1 113 VAL MG1 . . 3.180 2.293 2.183 2.420 . 0 0 "[ . 1 . 2]" 1
2251 1 113 VAL HA 1 114 SER H . . 3.220 2.539 2.395 2.759 . 0 0 "[ . 1 . 2]" 1
2252 1 113 VAL HA 1 114 SER HA . . 4.230 4.187 3.953 4.353 0.123 2 0 "[ . 1 . 2]" 1
2253 1 113 VAL HA 1 115 SER H . . 5.500 4.605 4.166 4.985 . 0 0 "[ . 1 . 2]" 1
2254 1 113 VAL HA 1 118 ALA MB . . 4.930 4.472 4.223 4.875 . 0 0 "[ . 1 . 2]" 1
2255 1 113 VAL HB 1 114 SER H . . 3.210 2.152 1.988 2.392 . 0 0 "[ . 1 . 2]" 1
2256 1 113 VAL HB 1 114 SER HA . . 4.440 4.571 4.539 4.582 0.142 19 0 "[ . 1 . 2]" 1
2257 1 113 VAL HB 1 115 SER H . . 4.400 3.040 2.404 3.774 . 0 0 "[ . 1 . 2]" 1
2258 1 113 VAL HB 1 118 ALA MB . . 3.450 2.395 2.112 2.937 . 0 0 "[ . 1 . 2]" 1
2259 1 113 VAL MG1 1 114 SER H . . 4.750 3.428 2.862 3.655 . 0 0 "[ . 1 . 2]" 1
2260 1 113 VAL MG1 1 118 ALA MB . . 4.300 2.906 2.239 3.854 . 0 0 "[ . 1 . 2]" 1
2261 1 113 VAL MG1 1 122 TYR H . . 5.500 4.258 3.618 5.077 . 0 0 "[ . 1 . 2]" 1
2262 1 113 VAL MG1 1 122 TYR HB2 . . 3.650 2.726 2.218 3.392 . 0 0 "[ . 1 . 2]" 1
2263 1 113 VAL MG1 1 122 TYR HB3 . . 4.530 3.347 2.727 4.328 . 0 0 "[ . 1 . 2]" 1
2264 1 113 VAL MG1 1 122 TYR QD . . 3.540 3.001 2.258 3.690 0.150 12 0 "[ . 1 . 2]" 1
2265 1 113 VAL MG2 1 114 SER H . . 4.600 3.484 3.176 3.867 . 0 0 "[ . 1 . 2]" 1
2266 1 113 VAL MG2 1 114 SER HA . . 5.220 4.693 3.908 5.196 . 0 0 "[ . 1 . 2]" 1
2267 1 113 VAL MG2 1 115 SER H . . 4.080 2.788 1.825 3.310 . 0 0 "[ . 1 . 2]" 1
2268 1 113 VAL MG2 1 118 ALA H . . 4.590 3.691 3.241 3.994 . 0 0 "[ . 1 . 2]" 1
2269 1 113 VAL MG2 1 118 ALA HA . . 4.500 4.216 4.056 4.596 0.096 2 0 "[ . 1 . 2]" 1
2270 1 113 VAL MG2 1 118 ALA MB . . 3.410 2.318 2.172 2.579 . 0 0 "[ . 1 . 2]" 1
2271 1 113 VAL MG2 1 119 VAL H . . 3.410 2.744 2.126 2.942 . 0 0 "[ . 1 . 2]" 1
2272 1 113 VAL MG2 1 119 VAL HA . . 3.120 2.347 2.044 2.671 . 0 0 "[ . 1 . 2]" 1
2273 1 113 VAL MG2 1 119 VAL QG . . 3.190 1.946 1.854 2.111 . 0 0 "[ . 1 . 2]" 1
2274 1 113 VAL MG2 1 120 THR H . . 5.390 4.687 4.270 4.919 . 0 0 "[ . 1 . 2]" 1
2275 1 113 VAL MG2 1 122 TYR H . . 5.500 4.466 3.982 5.214 . 0 0 "[ . 1 . 2]" 1
2276 1 113 VAL MG2 1 122 TYR QD . . 5.460 4.469 3.858 5.163 . 0 0 "[ . 1 . 2]" 1
2277 1 114 SER H 1 114 SER HB3 . . 3.720 3.216 2.530 3.631 . 0 0 "[ . 1 . 2]" 1
2278 1 114 SER H 1 115 SER H . . 3.930 2.872 2.626 3.132 . 0 0 "[ . 1 . 2]" 1
2279 1 114 SER H 1 118 ALA MB . . 4.490 3.389 2.868 3.852 . 0 0 "[ . 1 . 2]" 1
2280 1 114 SER HB2 1 115 SER H . . 4.180 3.486 2.754 4.295 0.115 2 0 "[ . 1 . 2]" 1
2281 1 114 SER HB3 1 115 SER H . . 3.850 3.767 2.702 4.396 0.546 1 2 "[+ . - 1 . 2]" 1
2282 1 115 SER H 1 115 SER HB2 . . 3.840 3.273 2.893 3.772 . 0 0 "[ . 1 . 2]" 1
2283 1 115 SER H 1 115 SER HB3 . . 4.120 3.851 3.625 3.996 . 0 0 "[ . 1 . 2]" 1
2284 1 115 SER H 1 116 PRO HD3 . . 5.180 4.842 4.583 5.010 . 0 0 "[ . 1 . 2]" 1
2285 1 115 SER H 1 118 ALA H . . 4.660 3.685 3.318 4.193 . 0 0 "[ . 1 . 2]" 1
2286 1 115 SER H 1 118 ALA MB . . 3.100 2.470 1.963 2.956 . 0 0 "[ . 1 . 2]" 1
2287 1 115 SER H 1 119 VAL QG . . 5.500 4.078 3.719 4.676 . 0 0 "[ . 1 . 2]" 1
2288 1 115 SER HA 1 115 SER HB3 . . 3.050 2.292 2.199 2.360 . 0 0 "[ . 1 . 2]" 1
2289 1 115 SER HA 1 116 PRO HD2 . . 3.220 2.529 2.260 2.921 . 0 0 "[ . 1 . 2]" 1
2290 1 115 SER HA 1 116 PRO HD3 . . 2.730 2.362 2.063 2.563 . 0 0 "[ . 1 . 2]" 1
2291 1 115 SER HA 1 116 PRO HG2 . . 4.940 4.617 4.410 4.789 . 0 0 "[ . 1 . 2]" 1
2292 1 115 SER HA 1 116 PRO HG3 . . 4.450 4.530 4.200 4.578 0.128 9 0 "[ . 1 . 2]" 1
2293 1 115 SER HA 1 117 ASP H . . 5.180 4.296 3.940 4.679 . 0 0 "[ . 1 . 2]" 1
2294 1 115 SER HB2 1 116 PRO HA . . 4.610 4.723 4.700 4.741 0.131 4 0 "[ . 1 . 2]" 1
2295 1 115 SER HB2 1 118 ALA H . . 4.140 2.794 2.083 3.220 . 0 0 "[ . 1 . 2]" 1
2296 1 115 SER HB2 1 118 ALA MB . . 3.640 3.346 2.307 3.763 0.123 8 0 "[ . 1 . 2]" 1
2297 1 115 SER HB3 1 116 PRO HD2 . . 3.600 2.474 2.061 3.243 . 0 0 "[ . 1 . 2]" 1
2298 1 115 SER HB3 1 116 PRO HD3 . . 3.730 3.615 3.238 3.837 0.107 2 0 "[ . 1 . 2]" 1
2299 1 115 SER HB3 1 117 ASP H . . 4.260 3.614 2.792 4.365 0.105 2 0 "[ . 1 . 2]" 1
2300 1 115 SER HB3 1 118 ALA H . . 4.960 4.354 3.514 4.824 . 0 0 "[ . 1 . 2]" 1
2301 1 115 SER HB3 1 118 ALA MB . . 4.850 4.512 3.769 4.970 0.120 5 0 "[ . 1 . 2]" 1
2302 1 116 PRO HA 1 118 ALA H . . 4.630 3.941 3.699 4.182 . 0 0 "[ . 1 . 2]" 1
2303 1 116 PRO HA 1 119 VAL H . . 3.920 3.278 2.860 3.541 . 0 0 "[ . 1 . 2]" 1
2304 1 116 PRO HA 1 119 VAL HB . . 3.530 3.285 2.569 3.632 0.102 14 0 "[ . 1 . 2]" 1
2305 1 116 PRO HA 1 119 VAL QG . . 3.330 2.098 1.965 2.729 . 0 0 "[ . 1 . 2]" 1
2306 1 116 PRO HB2 1 117 ASP H . . 3.830 3.438 2.686 3.822 . 0 0 "[ . 1 . 2]" 1
2307 1 116 PRO HB2 1 117 ASP HA . . 4.550 4.350 4.043 4.626 0.076 20 0 "[ . 1 . 2]" 1
2308 1 116 PRO HB3 1 119 VAL QG . . 5.280 3.604 3.289 3.906 . 0 0 "[ . 1 . 2]" 1
2309 1 116 PRO HD2 1 117 ASP H . . 4.700 2.883 2.291 3.396 . 0 0 "[ . 1 . 2]" 1
2310 1 116 PRO HD3 1 117 ASP H . . 4.640 4.044 3.663 4.365 . 0 0 "[ . 1 . 2]" 1
2311 1 116 PRO HG2 1 117 ASP H . . 4.580 2.891 2.384 4.320 . 0 0 "[ . 1 . 2]" 1
2312 1 117 ASP H 1 117 ASP HB2 . . 3.650 2.297 2.010 2.531 . 0 0 "[ . 1 . 2]" 1
2313 1 117 ASP H 1 117 ASP HB3 . . 3.480 3.176 2.370 3.594 0.114 1 0 "[ . 1 . 2]" 1
2314 1 117 ASP H 1 118 ALA H . . 3.320 2.695 2.416 2.928 . 0 0 "[ . 1 . 2]" 1
2315 1 117 ASP H 1 118 ALA MB . . 5.440 4.372 4.104 4.588 . 0 0 "[ . 1 . 2]" 1
2316 1 117 ASP H 1 119 VAL H . . 4.880 4.129 3.978 4.270 . 0 0 "[ . 1 . 2]" 1
2317 1 117 ASP HA 1 117 ASP HB2 . . 2.940 2.835 2.443 3.054 0.114 16 0 "[ . 1 . 2]" 1
2318 1 117 ASP HA 1 119 VAL H . . 4.180 4.059 3.738 4.283 0.103 19 0 "[ . 1 . 2]" 1
2319 1 117 ASP HA 1 119 VAL HB . . 5.180 4.852 4.353 5.362 0.182 2 0 "[ . 1 . 2]" 1
2320 1 117 ASP HA 1 120 THR H . . 4.440 3.930 3.534 4.266 . 0 0 "[ . 1 . 2]" 1
2321 1 117 ASP HA 1 120 THR HB . . 4.070 3.690 2.947 4.181 0.111 14 0 "[ . 1 . 2]" 1
2322 1 117 ASP HA 1 120 THR MG . . 5.250 4.812 3.597 5.363 0.113 1 0 "[ . 1 . 2]" 1
2323 1 117 ASP HB2 1 118 ALA H . . 3.980 3.357 2.316 4.079 0.099 7 0 "[ . 1 . 2]" 1
2324 1 117 ASP HB3 1 118 ALA H . . 3.920 3.374 2.798 4.061 0.141 11 0 "[ . 1 . 2]" 1
2325 1 118 ALA H 1 118 ALA MB . . 3.040 2.260 2.176 2.328 . 0 0 "[ . 1 . 2]" 1
2326 1 118 ALA H 1 119 VAL H . . 3.020 2.418 2.122 2.635 . 0 0 "[ . 1 . 2]" 1
2327 1 118 ALA H 1 119 VAL HA . . 5.500 5.023 4.685 5.219 . 0 0 "[ . 1 . 2]" 1
2328 1 118 ALA H 1 119 VAL HB . . 4.640 4.635 4.222 4.686 0.046 15 0 "[ . 1 . 2]" 1
2329 1 118 ALA H 1 119 VAL QG . . 4.530 3.628 3.295 4.422 . 0 0 "[ . 1 . 2]" 1
2330 1 118 ALA H 1 120 THR H . . 3.660 4.501 4.243 4.781 1.121 1 20 [+-******************] 1
2331 1 118 ALA H 1 120 THR HB . . 5.220 5.524 5.097 5.978 0.758 1 6 "[+ * 1* *- *]" 1
2332 1 118 ALA HA 1 120 THR H . . 5.150 4.574 4.176 4.992 . 0 0 "[ . 1 . 2]" 1
2333 1 118 ALA HA 1 121 THR H . . 3.440 3.194 2.919 3.525 0.085 2 0 "[ . 1 . 2]" 1
2334 1 118 ALA HA 1 121 THR HB . . 3.050 2.667 2.253 3.143 0.093 7 0 "[ . 1 . 2]" 1
2335 1 118 ALA HA 1 121 THR MG . . 4.650 3.881 3.559 4.432 . 0 0 "[ . 1 . 2]" 1
2336 1 118 ALA HA 1 122 TYR H . . 4.310 3.929 3.569 4.284 . 0 0 "[ . 1 . 2]" 1
2337 1 118 ALA MB 1 119 VAL H . . 4.240 2.972 2.733 3.177 . 0 0 "[ . 1 . 2]" 1
2338 1 118 ALA MB 1 119 VAL QG . . 5.500 3.515 3.322 4.206 . 0 0 "[ . 1 . 2]" 1
2339 1 118 ALA MB 1 120 THR H . . 5.500 4.941 4.689 5.225 . 0 0 "[ . 1 . 2]" 1
2340 1 118 ALA MB 1 121 THR H . . 5.500 4.482 4.236 4.702 . 0 0 "[ . 1 . 2]" 1
2341 1 118 ALA MB 1 121 THR HB . . 4.480 3.700 3.281 4.124 . 0 0 "[ . 1 . 2]" 1
2342 1 118 ALA MB 1 122 TYR H . . 5.330 4.213 4.008 4.494 . 0 0 "[ . 1 . 2]" 1
2343 1 119 VAL H 1 119 VAL HB . . 3.050 2.447 2.070 2.573 . 0 0 "[ . 1 . 2]" 1
2344 1 119 VAL H 1 119 VAL QG . . 3.070 2.129 1.900 2.890 . 0 0 "[ . 1 . 2]" 1
2345 1 119 VAL H 1 120 THR H . . 3.420 2.756 2.591 2.928 . 0 0 "[ . 1 . 2]" 1
2346 1 119 VAL HA 1 119 VAL QG . . 3.110 2.163 2.028 2.205 . 0 0 "[ . 1 . 2]" 1
2347 1 119 VAL HA 1 122 TYR H . . 4.770 3.577 3.364 3.851 . 0 0 "[ . 1 . 2]" 1
2348 1 119 VAL HA 1 122 TYR HB3 . . 4.430 2.886 2.443 3.188 . 0 0 "[ . 1 . 2]" 1
2349 1 119 VAL HA 1 122 TYR QD . . 5.160 4.437 3.724 4.671 . 0 0 "[ . 1 . 2]" 1
2350 1 119 VAL HA 1 123 ASN H . . 4.610 3.999 3.785 4.264 . 0 0 "[ . 1 . 2]" 1
2351 1 119 VAL HB 1 120 THR H . . 3.080 2.330 2.173 3.122 0.042 2 0 "[ . 1 . 2]" 1
2352 1 119 VAL HB 1 120 THR HB . . 4.420 4.505 4.214 4.558 0.138 2 0 "[ . 1 . 2]" 1
2353 1 119 VAL HB 1 121 THR H . . 5.300 4.925 4.743 5.282 . 0 0 "[ . 1 . 2]" 1
2354 1 119 VAL QG 1 120 THR H . . 3.800 3.016 1.987 3.223 . 0 0 "[ . 1 . 2]" 1
2355 1 119 VAL QG 1 120 THR HA . . 3.940 3.475 2.845 3.829 . 0 0 "[ . 1 . 2]" 1
2356 1 119 VAL QG 1 121 THR H . . 5.500 4.651 4.112 4.844 . 0 0 "[ . 1 . 2]" 1
2357 1 119 VAL QG 1 123 ASN H . . 4.910 3.993 3.802 4.227 . 0 0 "[ . 1 . 2]" 1
2358 1 119 VAL QG 1 123 ASN HB3 . . 5.120 5.018 4.739 5.164 0.044 18 0 "[ . 1 . 2]" 1
2359 1 119 VAL QG 1 123 ASN HD21 . . 3.460 2.656 2.268 3.526 0.066 15 0 "[ . 1 . 2]" 1
2360 1 119 VAL QG 1 123 ASN HD22 . . 3.660 2.016 1.784 2.239 . 0 0 "[ . 1 . 2]" 1
2361 1 120 THR H 1 120 THR HB . . 2.970 2.320 1.759 2.447 . 0 0 "[ . 1 . 2]" 1
2362 1 120 THR H 1 120 THR MG . . 4.270 3.652 3.414 3.721 . 0 0 "[ . 1 . 2]" 1
2363 1 120 THR H 1 121 THR H . . 2.940 2.874 2.665 2.982 0.042 13 0 "[ . 1 . 2]" 1
2364 1 120 THR H 1 122 TYR H . . 5.010 4.374 4.143 4.628 . 0 0 "[ . 1 . 2]" 1
2365 1 120 THR H 1 123 ASN H . . 5.500 4.891 4.733 5.134 . 0 0 "[ . 1 . 2]" 1
2366 1 120 THR HA 1 120 THR HB . . 3.060 3.026 2.939 3.050 . 0 0 "[ . 1 . 2]" 1
2367 1 120 THR HA 1 120 THR MG . . 3.350 2.496 2.300 2.869 . 0 0 "[ . 1 . 2]" 1
2368 1 120 THR HA 1 123 ASN H . . 4.000 3.688 3.375 4.098 0.098 18 0 "[ . 1 . 2]" 1
2369 1 120 THR HA 1 123 ASN HB2 . . 3.450 2.931 2.432 3.516 0.066 9 0 "[ . 1 . 2]" 1
2370 1 120 THR HA 1 123 ASN HD21 . . 4.710 2.761 2.170 4.662 . 0 0 "[ . 1 . 2]" 1
2371 1 120 THR HA 1 123 ASN HD22 . . 4.770 4.023 3.511 4.624 . 0 0 "[ . 1 . 2]" 1
2372 1 120 THR HB 1 121 THR H . . 3.240 2.755 2.377 3.254 0.014 17 0 "[ . 1 . 2]" 1
2373 1 120 THR MG 1 121 THR H . . 4.640 3.485 3.066 3.767 . 0 0 "[ . 1 . 2]" 1
2374 1 120 THR MG 1 121 THR HA . . 4.720 3.751 3.396 4.183 . 0 0 "[ . 1 . 2]" 1
2375 1 120 THR MG 1 124 GLY H . . 5.500 4.371 3.945 4.863 . 0 0 "[ . 1 . 2]" 1
2376 1 120 THR MG 1 124 GLY HA3 . . 5.500 4.797 4.169 5.424 . 0 0 "[ . 1 . 2]" 1
2377 1 121 THR H 1 121 THR HB . . 3.060 2.668 2.256 2.971 . 0 0 "[ . 1 . 2]" 1
2378 1 121 THR H 1 121 THR MG . . 4.140 3.691 3.447 3.764 . 0 0 "[ . 1 . 2]" 1
2379 1 121 THR H 1 122 TYR H . . 3.450 2.783 2.526 2.975 . 0 0 "[ . 1 . 2]" 1
2380 1 121 THR HA 1 121 THR MG . . 3.050 2.346 2.195 2.623 . 0 0 "[ . 1 . 2]" 1
2381 1 121 THR HA 1 124 GLY H . . 3.930 3.670 3.297 3.941 0.011 17 0 "[ . 1 . 2]" 1
2382 1 121 THR HA 1 125 TYR H . . 4.880 4.444 4.006 4.910 0.030 20 0 "[ . 1 . 2]" 1
2383 1 121 THR HB 1 122 TYR H . . 3.280 2.567 2.355 2.874 . 0 0 "[ . 1 . 2]" 1
2384 1 121 THR MG 1 122 TYR H . . 4.000 3.638 3.095 4.086 0.086 7 0 "[ . 1 . 2]" 1
2385 1 121 THR MG 1 125 TYR QD . . 4.210 3.744 3.431 4.134 . 0 0 "[ . 1 . 2]" 1
2386 1 121 THR MG 1 125 TYR QE . . 2.730 2.545 2.158 2.857 0.127 10 0 "[ . 1 . 2]" 1
2387 1 122 TYR H 1 122 TYR HB2 . . 3.200 2.386 2.147 2.565 . 0 0 "[ . 1 . 2]" 1
2388 1 122 TYR H 1 122 TYR HB3 . . 3.570 2.464 2.263 2.684 . 0 0 "[ . 1 . 2]" 1
2389 1 122 TYR H 1 122 TYR QD . . 3.990 4.074 3.961 4.126 0.136 3 0 "[ . 1 . 2]" 1
2390 1 122 TYR H 1 123 ASN H . . 3.470 2.807 2.708 3.016 . 0 0 "[ . 1 . 2]" 1
2391 1 122 TYR H 1 124 GLY H . . 4.750 3.983 3.742 4.269 . 0 0 "[ . 1 . 2]" 1
2392 1 122 TYR HA 1 122 TYR QD . . 2.900 2.969 2.634 3.027 0.127 15 0 "[ . 1 . 2]" 1
2393 1 122 TYR HA 1 123 ASN HA . . 4.940 4.888 4.774 5.037 0.097 15 0 "[ . 1 . 2]" 1
2394 1 122 TYR HA 1 125 TYR H . . 4.300 3.410 3.293 3.559 . 0 0 "[ . 1 . 2]" 1
2395 1 122 TYR HA 1 125 TYR HB2 . . 4.310 3.275 3.022 3.528 . 0 0 "[ . 1 . 2]" 1
2396 1 122 TYR HA 1 125 TYR HB3 . . 4.900 4.834 4.557 5.019 0.119 12 0 "[ . 1 . 2]" 1
2397 1 122 TYR HA 1 125 TYR QD . . 2.740 2.168 1.929 2.759 0.019 14 0 "[ . 1 . 2]" 1
2398 1 122 TYR HA 1 125 TYR QE . . 3.300 3.407 3.160 3.452 0.152 5 0 "[ . 1 . 2]" 1
2399 1 122 TYR HB2 1 123 ASN H . . 3.960 3.804 3.457 4.031 0.071 1 0 "[ . 1 . 2]" 1
2400 1 122 TYR HB3 1 123 ASN H . . 3.340 2.480 2.168 2.752 . 0 0 "[ . 1 . 2]" 1
2401 1 122 TYR HB3 1 124 GLY H . . 5.370 4.801 4.571 5.141 . 0 0 "[ . 1 . 2]" 1
2402 1 122 TYR QD 1 123 ASN H . . 3.330 3.287 2.934 3.455 0.125 18 0 "[ . 1 . 2]" 1
2403 1 122 TYR QD 1 123 ASN HA . . 3.470 3.336 3.067 3.584 0.114 19 0 "[ . 1 . 2]" 1
2404 1 122 TYR QD 1 126 LEU QD . . 4.570 2.929 2.382 3.846 . 0 0 "[ . 1 . 2]" 1
2405 1 122 TYR QE 1 126 LEU QD . . 3.100 2.423 2.147 2.799 . 0 0 "[ . 1 . 2]" 1
2406 1 123 ASN H 1 123 ASN HB2 . . 3.170 2.550 2.390 2.754 . 0 0 "[ . 1 . 2]" 1
2407 1 123 ASN H 1 123 ASN HB3 . . 3.500 3.610 3.593 3.619 0.119 8 0 "[ . 1 . 2]" 1
2408 1 123 ASN H 1 123 ASN HD21 . . 4.770 3.123 2.052 3.793 . 0 0 "[ . 1 . 2]" 1
2409 1 123 ASN H 1 124 GLY H . . 3.400 2.596 2.456 2.816 . 0 0 "[ . 1 . 2]" 1
2410 1 123 ASN H 1 124 GLY HA3 . . 5.020 4.812 4.643 5.067 0.047 18 0 "[ . 1 . 2]" 1
2411 1 123 ASN H 1 125 TYR H . . 4.900 4.392 4.055 4.648 . 0 0 "[ . 1 . 2]" 1
2412 1 123 ASN HA 1 125 TYR H . . 4.870 4.503 3.857 4.882 0.012 19 0 "[ . 1 . 2]" 1
2413 1 123 ASN HA 1 126 LEU H . . 3.990 3.184 2.921 3.442 . 0 0 "[ . 1 . 2]" 1
2414 1 123 ASN HA 1 126 LEU HB2 . . 3.860 2.200 1.998 2.454 . 0 0 "[ . 1 . 2]" 1
2415 1 123 ASN HA 1 126 LEU HB3 . . 5.100 3.545 2.591 3.905 . 0 0 "[ . 1 . 2]" 1
2416 1 123 ASN HA 1 126 LEU QD . . 3.660 3.046 2.141 3.604 . 0 0 "[ . 1 . 2]" 1
2417 1 123 ASN HA 1 126 LEU HG . . 4.070 3.418 2.505 4.199 0.129 2 0 "[ . 1 . 2]" 1
2418 1 123 ASN HB2 1 124 GLY H . . 3.850 2.536 2.303 2.920 . 0 0 "[ . 1 . 2]" 1
2419 1 123 ASN HB3 1 123 ASN HD21 . . 3.630 3.180 2.926 3.553 . 0 0 "[ . 1 . 2]" 1
2420 1 123 ASN HB3 1 124 GLY H . . 3.980 3.591 3.236 3.871 . 0 0 "[ . 1 . 2]" 1
2421 1 123 ASN HB3 1 124 GLY HA2 . . 5.140 4.648 4.268 4.973 . 0 0 "[ . 1 . 2]" 1
2422 1 123 ASN HB3 1 126 LEU HB3 . . 5.360 4.796 3.758 5.347 . 0 0 "[ . 1 . 2]" 1
2423 1 123 ASN HD22 1 124 GLY H . . 5.500 5.586 5.566 5.597 0.097 1 0 "[ . 1 . 2]" 1
2424 1 124 GLY H 1 124 GLY HA3 . . 2.930 2.323 2.271 2.373 . 0 0 "[ . 1 . 2]" 1
2425 1 124 GLY H 1 125 TYR H . . 3.380 3.030 2.835 3.207 . 0 0 "[ . 1 . 2]" 1
2426 1 124 GLY HA3 1 125 TYR H . . 3.630 2.688 2.471 3.236 . 0 0 "[ . 1 . 2]" 1
2427 1 125 TYR H 1 125 TYR HB2 . . 3.320 2.585 2.479 2.733 . 0 0 "[ . 1 . 2]" 1
2428 1 125 TYR H 1 125 TYR HB3 . . 3.790 3.617 3.580 3.693 . 0 0 "[ . 1 . 2]" 1
2429 1 125 TYR H 1 125 TYR QD . . 3.350 3.145 2.984 3.458 0.108 20 0 "[ . 1 . 2]" 1
2430 1 125 TYR H 1 126 LEU H . . 3.030 2.773 2.241 3.011 . 0 0 "[ . 1 . 2]" 1
2431 1 125 TYR H 1 126 LEU HB2 . . 4.880 4.519 3.928 4.793 . 0 0 "[ . 1 . 2]" 1
2432 1 125 TYR HA 1 125 TYR QD . . 2.470 2.345 2.182 2.570 0.100 19 0 "[ . 1 . 2]" 1
2433 1 125 TYR HB2 1 126 LEU H . . 3.720 2.792 2.520 3.261 . 0 0 "[ . 1 . 2]" 1
2434 1 125 TYR HB3 1 126 LEU H . . 4.220 3.877 3.623 4.187 . 0 0 "[ . 1 . 2]" 1
2435 1 125 TYR QD 1 126 LEU H . . 4.350 4.460 4.214 4.747 0.397 9 0 "[ . 1 . 2]" 1
2436 1 126 LEU H 1 126 LEU HB2 . . 2.980 2.058 1.851 2.183 . 0 0 "[ . 1 . 2]" 1
2437 1 126 LEU H 1 126 LEU HB3 . . 3.320 3.333 3.090 3.430 0.110 17 0 "[ . 1 . 2]" 1
2438 1 126 LEU H 1 126 LEU QD . . 4.220 2.817 2.339 3.692 . 0 0 "[ . 1 . 2]" 1
2439 1 126 LEU H 1 127 THR H . . 3.400 2.842 2.474 3.086 . 0 0 "[ . 1 . 2]" 1
2440 1 126 LEU H 1 127 THR MG . . 5.500 4.436 3.591 4.697 . 0 0 "[ . 1 . 2]" 1
2441 1 126 LEU HA 1 126 LEU HB3 . . 2.990 2.790 2.639 2.998 0.008 10 0 "[ . 1 . 2]" 1
2442 1 126 LEU HA 1 126 LEU QD . . 3.060 2.156 1.935 2.917 . 0 0 "[ . 1 . 2]" 1
2443 1 126 LEU HA 1 126 LEU HG . . 4.220 3.184 2.111 3.793 . 0 0 "[ . 1 . 2]" 1
2444 1 126 LEU HB2 1 127 THR H . . 4.110 3.116 2.683 3.575 . 0 0 "[ . 1 . 2]" 1
2445 1 126 LEU HB3 1 127 THR H . . 3.470 3.199 2.614 3.521 0.051 9 0 "[ . 1 . 2]" 1
2446 1 126 LEU HB3 1 127 THR HA . . 4.800 4.394 3.452 4.915 0.115 11 0 "[ . 1 . 2]" 1
2447 1 126 LEU HB3 1 127 THR MG . . 4.030 3.395 2.277 4.202 0.172 15 0 "[ . 1 . 2]" 1
2448 1 126 LEU HB3 1 128 SER H . . 5.490 4.945 2.439 5.521 0.031 4 0 "[ . 1 . 2]" 1
2449 1 126 LEU QD 1 127 THR H . . 5.500 4.122 3.786 4.402 . 0 0 "[ . 1 . 2]" 1
2450 1 126 LEU QD 1 127 THR HA . . 5.500 4.879 3.696 5.533 0.033 15 0 "[ . 1 . 2]" 1
2451 1 127 THR H 1 127 THR HB . . 3.740 3.353 2.542 3.783 0.043 19 0 "[ . 1 . 2]" 1
2452 1 127 THR H 1 127 THR MG . . 3.540 2.535 2.025 3.170 . 0 0 "[ . 1 . 2]" 1
2453 1 127 THR H 1 128 SER H . . 3.260 2.447 1.927 3.294 0.034 3 0 "[ . 1 . 2]" 1
2454 1 127 THR HA 1 127 THR MG . . 3.190 2.865 2.076 3.264 0.074 9 0 "[ . 1 . 2]" 1
2455 1 127 THR HA 1 128 SER H . . 3.580 3.291 2.376 3.597 0.017 6 0 "[ . 1 . 2]" 1
2456 1 127 THR HB 1 128 SER H . . 4.830 4.117 2.889 4.797 . 0 0 "[ . 1 . 2]" 1
2457 1 127 THR MG 1 128 SER H . . 5.330 3.487 2.250 4.168 . 0 0 "[ . 1 . 2]" 1
2458 1 127 THR MG 1 128 SER HA . . 5.310 4.705 3.630 5.485 0.175 4 0 "[ . 1 . 2]" 1
2459 1 128 SER H 1 128 SER QB . . 3.670 3.072 2.342 3.511 . 0 0 "[ . 1 . 2]" 1
2460 1 128 SER H 1 129 SER H . . 3.520 3.160 2.541 3.561 0.041 13 0 "[ . 1 . 2]" 1
2461 1 128 SER HA 1 128 SER QB . . 2.730 2.340 2.125 2.555 . 0 0 "[ . 1 . 2]" 1
2462 1 128 SER HA 1 129 SER H . . 3.050 2.408 2.058 3.083 0.033 20 0 "[ . 1 . 2]" 1
2463 1 128 SER HA 1 129 SER HA . . 4.540 4.495 4.233 4.659 0.119 19 0 "[ . 1 . 2]" 1
2464 1 128 SER QB 1 129 SER H . . 4.340 3.775 3.296 3.943 . 0 0 "[ . 1 . 2]" 1
2465 1 128 SER HB3 1 129 SER H . . 4.240 4.214 3.470 4.643 0.403 4 0 "[ . 1 . 2]" 1
2466 1 129 SER H 1 129 SER QB . . 3.340 2.834 2.092 3.425 0.085 11 0 "[ . 1 . 2]" 1
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