NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
553971 |
2lmj   |
18119 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lmj
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 1200
_Distance_constraint_stats_list.Viol_count 2834
_Distance_constraint_stats_list.Viol_total 19298.973
_Distance_constraint_stats_list.Viol_max 1.657
_Distance_constraint_stats_list.Viol_rms 0.1684
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0402
_Distance_constraint_stats_list.Viol_average_violations_only 0.3405
_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 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.130 0.103 3 0 "[ . 1 . 2]"
1 8 GLU 10.316 0.748 10 12 "[ ** .* *+ -****** 2]"
1 9 THR 25.605 0.863 15 13 "[ -* .* *** ***+*** 2]"
1 10 VAL 43.531 1.105 17 20 [****************+**-]
1 11 VAL 11.961 0.610 10 8 "[ - . * + * **** 2]"
1 12 ILE 19.292 0.545 17 6 "[ . **- * +* 2]"
1 13 ALA 26.672 0.741 16 3 "[ . 1 .+-* 2]"
1 14 LEU 25.040 0.741 16 14 "[- **.*** 1** *+****]"
1 15 TYR 10.785 0.282 17 0 "[ . 1 . 2]"
1 16 ASP 3.793 0.208 9 0 "[ . 1 . 2]"
1 17 TYR 65.255 1.597 6 20 [*****+**********-***]
1 18 GLN 56.020 1.657 6 20 [**-**+**************]
1 19 THR 44.607 1.343 5 20 [****+*-*************]
1 20 ASN 0.006 0.006 14 0 "[ . 1 . 2]"
1 21 ASP 37.145 0.752 19 20 [*****************-+*]
1 22 PRO 26.441 0.544 11 3 "[ . - 1+ . *2]"
1 23 GLN 23.270 0.544 11 3 "[ . - 1+ . *2]"
1 24 GLU 48.254 0.752 19 20 [**********-*******+*]
1 25 LEU 64.703 1.439 17 20 [*********-******+***]
1 26 ALA 2.623 0.144 3 0 "[ . 1 . 2]"
1 27 LEU 36.525 0.820 3 20 [**+****************-]
1 28 ARG 9.389 0.814 4 5 "[ *+. *1 *. -2]"
1 29 ARG 4.386 0.208 9 0 "[ . 1 . 2]"
1 30 ASN 19.396 0.544 17 13 "[- **.*** 1** * +***]"
1 31 GLU 29.487 0.814 4 20 [***+****-***********]
1 32 GLU 40.913 1.105 17 20 [*********-******+***]
1 33 TYR 4.326 0.162 8 0 "[ . 1 . 2]"
1 34 CYS 25.309 0.970 11 6 "[ * *. 1+** . -2]"
1 35 LEU 44.783 1.597 16 20 [************-**+****]
1 36 LEU 4.128 0.626 11 2 "[ - . 1+ . 2]"
1 37 ASP 31.116 1.597 16 20 [************-**+****]
1 38 SER 9.516 0.536 12 1 "[ . 1 + . 2]"
1 39 SER 7.230 0.536 12 1 "[ . 1 + . 2]"
1 40 GLU 20.841 0.658 2 8 "[*+**. * 1 - *. * 2]"
1 41 ILE 46.221 0.634 5 20 [****+********-******]
1 42 HIS 34.479 1.171 13 20 [************+**-****]
1 43 TRP 83.523 1.433 13 20 [***********-+*******]
1 44 TRP 50.014 1.033 1 20 [+**********-********]
1 45 ARG 18.870 0.786 1 20 [+*****-*************]
1 46 VAL 3.217 0.289 11 0 "[ . 1 . 2]"
1 47 GLN 24.235 0.970 11 10 "[ * *. 1+** .****-]"
1 48 ASP 5.435 0.879 12 5 "[* - * 1 +* . 2]"
1 49 ARG 0.007 0.003 8 0 "[ . 1 . 2]"
1 50 ASN 5.206 0.266 1 0 "[ . 1 . 2]"
1 51 GLY 0.019 0.007 1 0 "[ . 1 . 2]"
1 52 HIS 23.929 0.731 1 20 [+*********-*********]
1 53 GLU 52.523 1.439 17 20 [-***************+***]
1 54 GLY 23.550 0.555 12 20 [*********-*+********]
1 55 TYR 75.558 1.433 13 20 [**********-*+*******]
1 56 VAL 35.215 0.820 3 20 [**+****************-]
1 57 PRO 7.682 0.426 19 0 "[ . 1 . 2]"
1 58 SER 42.747 0.829 18 20 [*************-***+**]
1 59 SER 71.150 1.171 13 20 [************+*****-*]
1 60 TYR 92.188 1.657 6 20 [*****+**********-***]
1 61 LEU 166.703 1.545 2 20 [*+*****************-]
1 62 VAL 59.095 1.250 2 20 [*+*****************-]
1 63 GLU 64.710 1.545 2 20 [*+******************]
1 64 LYS 20.843 1.285 13 12 "[* - .** ****+ ** *]"
1 65 SER 14.626 1.285 13 12 "[* - .** ****+ ** *]"
1 66 PRO 1.876 0.140 14 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 44 TRP HA 1 44 TRP HE1 . . 4.810 4.512 4.479 4.538 . 0 0 "[ . 1 . 2]" 1
2 1 41 ILE HA 1 44 TRP HE1 . . 3.310 3.627 3.393 3.944 0.634 5 2 "[ + 1 - . 2]" 1
3 1 38 SER QB 1 44 TRP HE1 . . 3.850 3.128 2.969 3.489 . 0 0 "[ . 1 . 2]" 1
4 1 42 HIS QB 1 43 TRP HE1 . . 4.000 3.892 3.819 3.927 . 0 0 "[ . 1 . 2]" 1
5 1 34 CYS HA 1 35 LEU H . . 2.910 2.163 2.158 2.165 . 0 0 "[ . 1 . 2]" 1
6 1 35 LEU H 1 35 LEU HB3 . . 3.100 2.885 2.846 2.911 . 0 0 "[ . 1 . 2]" 1
7 1 35 LEU H 1 35 LEU HB2 . . 3.120 2.184 2.163 2.216 . 0 0 "[ . 1 . 2]" 1
8 1 11 VAL QG 1 35 LEU H . . 4.610 3.319 3.255 3.393 . 0 0 "[ . 1 . 2]" 1
9 1 40 GLU HB3 1 43 TRP HE1 . . 5.500 5.248 4.898 5.462 . 0 0 "[ . 1 . 2]" 1
10 1 34 CYS HB2 1 35 LEU H . . 5.000 4.542 4.334 4.628 . 0 0 "[ . 1 . 2]" 1
11 1 34 CYS HB3 1 35 LEU H . . 5.330 3.911 3.753 4.447 . 0 0 "[ . 1 . 2]" 1
12 1 10 VAL HA 1 35 LEU H . . 3.680 2.168 2.096 2.315 . 0 0 "[ . 1 . 2]" 1
13 1 9 THR HB 1 35 LEU H . . 4.430 4.555 4.446 4.710 0.280 12 0 "[ . 1 . 2]" 1
14 1 33 TYR HA 1 35 LEU H . . 5.500 5.528 5.514 5.555 0.055 12 0 "[ . 1 . 2]" 1
15 1 9 THR HA 1 10 VAL H . . 2.750 2.271 2.230 2.286 . 0 0 "[ . 1 . 2]" 1
16 1 35 LEU H 1 35 LEU MD1 . . 4.590 4.254 4.246 4.262 . 0 0 "[ . 1 . 2]" 1
17 1 35 LEU H 1 35 LEU MD2 . . 4.590 3.512 3.471 3.575 . 0 0 "[ . 1 . 2]" 1
18 1 9 THR MG 1 10 VAL H . . 3.510 1.976 1.910 2.103 . 0 0 "[ . 1 . 2]" 1
19 1 10 VAL H 1 10 VAL HB . . 3.040 2.772 2.744 2.799 . 0 0 "[ . 1 . 2]" 1
20 1 9 THR HB 1 10 VAL H . . 4.590 3.780 3.718 3.961 . 0 0 "[ . 1 . 2]" 1
21 1 10 VAL H 1 11 VAL H . . 4.600 4.495 4.482 4.508 . 0 0 "[ . 1 . 2]" 1
22 1 10 VAL H 1 35 LEU H . . 4.700 4.548 4.483 4.638 . 0 0 "[ . 1 . 2]" 1
23 1 10 VAL H 1 64 LYS HB3 . . 5.030 3.507 3.197 3.830 . 0 0 "[ . 1 . 2]" 1
24 1 10 VAL H 1 64 LYS QD . . 5.500 4.659 4.178 5.496 . 0 0 "[ . 1 . 2]" 1
25 1 10 VAL H 1 64 LYS HB2 . . 4.900 4.864 4.619 5.160 0.260 3 0 "[ . 1 . 2]" 1
26 1 10 VAL H 1 64 LYS H . . 4.760 3.896 3.805 3.996 . 0 0 "[ . 1 . 2]" 1
27 1 36 LEU H 1 46 VAL HA . . 3.150 2.560 2.302 2.638 . 0 0 "[ . 1 . 2]" 1
28 1 36 LEU H 1 37 ASP HA . . 5.150 4.601 4.566 4.819 . 0 0 "[ . 1 . 2]" 1
29 1 35 LEU HA 1 36 LEU H . . 2.830 2.171 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
30 1 36 LEU H 1 37 ASP QB . . 4.950 4.437 4.403 4.569 . 0 0 "[ . 1 . 2]" 1
31 1 36 LEU H 1 36 LEU HG . . 4.310 3.009 2.659 3.670 . 0 0 "[ . 1 . 2]" 1
32 1 36 LEU H 1 36 LEU HB2 . . 3.790 2.633 2.424 2.728 . 0 0 "[ . 1 . 2]" 1
33 1 36 LEU H 1 45 ARG HB3 . . 4.440 3.723 3.628 3.861 . 0 0 "[ . 1 . 2]" 1
34 1 35 LEU HB2 1 36 LEU H . . 4.990 4.352 4.338 4.489 . 0 0 "[ . 1 . 2]" 1
35 1 35 LEU HG 1 36 LEU H . . 5.300 4.527 4.491 4.900 . 0 0 "[ . 1 . 2]" 1
36 1 35 LEU HB3 1 36 LEU H . . 4.480 3.832 3.791 4.088 . 0 0 "[ . 1 . 2]" 1
37 1 36 LEU H 1 46 VAL HB . . 5.500 4.518 4.351 4.618 . 0 0 "[ . 1 . 2]" 1
38 1 34 CYS HB3 1 36 LEU H . . 5.500 5.706 5.549 6.126 0.626 11 2 "[ - . 1+ . 2]" 1
39 1 36 LEU H 1 45 ARG QD . . 5.500 5.117 4.847 5.301 . 0 0 "[ . 1 . 2]" 1
40 1 14 LEU H 1 14 LEU QB . . 3.050 2.648 2.581 2.679 . 0 0 "[ . 1 . 2]" 1
41 1 14 LEU H 1 14 LEU HG . . 3.380 2.146 2.025 2.262 . 0 0 "[ . 1 . 2]" 1
42 1 13 ALA MB 1 14 LEU H . . 3.650 3.127 3.087 3.154 . 0 0 "[ . 1 . 2]" 1
43 1 13 ALA HA 1 14 LEU H . . 2.730 2.153 2.148 2.161 . 0 0 "[ . 1 . 2]" 1
44 1 14 LEU H 1 15 TYR QD . . 4.190 4.166 4.021 4.297 0.107 1 0 "[ . 1 . 2]" 1
45 1 14 LEU H 1 62 VAL H . . 5.300 4.689 4.558 4.724 . 0 0 "[ . 1 . 2]" 1
46 1 13 ALA H 1 14 LEU H . . 4.820 4.530 4.511 4.550 . 0 0 "[ . 1 . 2]" 1
47 1 14 LEU H 1 61 LEU HA . . 3.660 3.372 3.236 3.439 . 0 0 "[ . 1 . 2]" 1
48 1 17 TYR QD 1 18 GLN H . . 3.930 2.816 2.664 2.976 . 0 0 "[ . 1 . 2]" 1
49 1 14 LEU H 1 61 LEU H . . 5.500 4.839 4.771 4.911 . 0 0 "[ . 1 . 2]" 1
50 1 14 LEU H 1 60 TYR HA . . 4.400 3.830 3.723 3.904 . 0 0 "[ . 1 . 2]" 1
51 1 17 TYR HA 1 18 GLN H . . 2.850 2.260 2.252 2.270 . 0 0 "[ . 1 . 2]" 1
52 1 14 LEU H 1 60 TYR QB . . 4.310 3.226 3.119 3.296 . 0 0 "[ . 1 . 2]" 1
53 1 17 TYR QB 1 18 GLN H . . 4.100 3.505 3.491 3.518 . 0 0 "[ . 1 . 2]" 1
54 1 14 LEU H 1 15 TYR HB2 . . 5.500 4.947 4.802 5.039 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLN H 1 18 GLN QG . . 4.170 3.515 3.463 3.699 . 0 0 "[ . 1 . 2]" 1
56 1 18 GLN H 1 18 GLN HB2 . . 3.930 2.629 2.589 2.657 . 0 0 "[ . 1 . 2]" 1
57 1 18 GLN H 1 18 GLN HB3 . . 3.930 3.701 3.584 3.723 . 0 0 "[ . 1 . 2]" 1
58 1 14 LEU H 1 27 LEU HB3 . . 5.100 4.821 4.741 4.938 . 0 0 "[ . 1 . 2]" 1
59 1 18 GLN H 1 26 ALA MB . . 5.500 4.395 4.315 4.470 . 0 0 "[ . 1 . 2]" 1
60 1 47 GLN HB2 1 48 ASP H . . 4.050 3.986 3.896 4.054 0.004 17 0 "[ . 1 . 2]" 1
61 1 47 GLN HG2 1 48 ASP H . . 3.870 3.097 2.238 3.285 . 0 0 "[ . 1 . 2]" 1
62 1 47 GLN HG3 1 48 ASP H . . 3.870 2.473 2.092 3.870 0.000 17 0 "[ . 1 . 2]" 1
63 1 48 ASP H 1 48 ASP HB3 . . 4.000 3.342 2.764 3.640 . 0 0 "[ . 1 . 2]" 1
64 1 48 ASP H 1 48 ASP HB2 . . 4.000 2.650 2.199 3.604 . 0 0 "[ . 1 . 2]" 1
65 1 47 GLN HA 1 48 ASP H . . 2.790 2.210 2.183 2.262 . 0 0 "[ . 1 . 2]" 1
66 1 48 ASP H 1 53 GLU HA . . 3.750 3.444 3.303 3.564 . 0 0 "[ . 1 . 2]" 1
67 1 17 TYR H 1 18 GLN H . . 4.740 4.602 4.577 4.625 . 0 0 "[ . 1 . 2]" 1
68 1 18 GLN H 1 60 TYR QE . . 5.250 6.678 6.451 6.907 1.657 6 20 [*****+************-*] 1
69 1 18 GLN H 1 19 THR MG . . 5.500 5.499 5.476 5.509 0.009 12 0 "[ . 1 . 2]" 1
70 1 11 VAL QG 1 64 LYS H . . 3.570 3.435 3.290 3.582 0.012 3 0 "[ . 1 . 2]" 1
71 1 12 ILE MD 1 64 LYS H . . 4.620 4.423 4.264 4.611 . 0 0 "[ . 1 . 2]" 1
72 1 64 LYS H 1 64 LYS HB3 . . 3.050 2.575 2.421 2.724 . 0 0 "[ . 1 . 2]" 1
73 1 64 LYS H 1 64 LYS HB2 . . 3.090 2.513 2.378 2.649 . 0 0 "[ . 1 . 2]" 1
74 1 63 GLU HB3 1 64 LYS H . . 3.530 3.799 3.616 3.947 0.417 15 0 "[ . 1 . 2]" 1
75 1 47 GLN HB3 1 48 ASP H . . 4.680 4.091 3.973 4.158 . 0 0 "[ . 1 . 2]" 1
76 1 48 ASP H 1 53 GLU HG2 . . 4.940 4.707 3.939 5.819 0.879 12 5 "[* - * 1 +* . 2]" 1
77 1 63 GLU HA 1 64 LYS H . . 2.700 2.139 2.138 2.141 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL HA 1 64 LYS H . . 3.240 2.454 2.373 2.561 . 0 0 "[ . 1 . 2]" 1
79 1 48 ASP H 1 52 HIS HB2 . . 4.130 3.675 3.474 3.908 . 0 0 "[ . 1 . 2]" 1
80 1 33 TYR QD 1 48 ASP H . . 4.230 3.797 3.627 3.933 . 0 0 "[ . 1 . 2]" 1
81 1 47 GLN H 1 48 ASP H . . 4.840 4.411 4.362 4.446 . 0 0 "[ . 1 . 2]" 1
82 1 48 ASP H 1 51 GLY H . . 4.070 3.942 3.823 4.077 0.007 1 0 "[ . 1 . 2]" 1
83 1 48 ASP H 1 50 ASN H . . 5.460 4.208 4.130 4.262 . 0 0 "[ . 1 . 2]" 1
84 1 12 ILE HB 1 13 ALA H . . 4.200 3.882 3.854 3.918 . 0 0 "[ . 1 . 2]" 1
85 1 12 ILE HA 1 13 ALA H . . 2.750 2.174 2.173 2.175 . 0 0 "[ . 1 . 2]" 1
86 1 13 ALA H 1 33 TYR QE . . 3.940 3.525 3.261 3.708 . 0 0 "[ . 1 . 2]" 1
87 1 13 ALA H 1 30 ASN HA . . 4.820 4.916 4.734 5.027 0.207 9 0 "[ . 1 . 2]" 1
88 1 13 ALA H 1 31 GLU QB . . 3.720 3.628 3.528 3.777 0.057 20 0 "[ . 1 . 2]" 1
89 1 12 ILE MG 1 13 ALA H . . 3.230 2.322 2.217 2.454 . 0 0 "[ . 1 . 2]" 1
90 1 12 ILE HG13 1 13 ALA H . . 5.070 5.199 5.182 5.213 0.143 18 0 "[ . 1 . 2]" 1
91 1 12 ILE HG12 1 13 ALA H . . 5.230 4.673 4.624 4.713 . 0 0 "[ . 1 . 2]" 1
92 1 13 ALA H 1 13 ALA MB . . 2.970 2.105 2.056 2.130 . 0 0 "[ . 1 . 2]" 1
93 1 64 LYS H 1 65 SER H . . 4.410 4.242 4.139 4.304 . 0 0 "[ . 1 . 2]" 1
94 1 13 ALA H 1 31 GLU H . . 3.790 2.823 2.679 2.898 . 0 0 "[ . 1 . 2]" 1
95 1 13 ALA H 1 28 ARG H . . 5.500 5.118 4.975 5.280 . 0 0 "[ . 1 . 2]" 1
96 1 13 ALA H 1 61 LEU HA . . 5.500 4.840 4.802 4.888 . 0 0 "[ . 1 . 2]" 1
97 1 13 ALA H 1 27 LEU QD . . 5.500 4.448 4.304 4.671 . 0 0 "[ . 1 . 2]" 1
98 1 62 VAL HA 1 63 GLU H . . 2.760 2.170 2.147 2.195 . 0 0 "[ . 1 . 2]" 1
99 1 63 GLU H 1 63 GLU HB2 . . 2.700 2.101 2.062 2.228 . 0 0 "[ . 1 . 2]" 1
100 1 63 GLU H 1 63 GLU HG2 . . 4.180 4.274 4.066 4.506 0.326 13 0 "[ . 1 . 2]" 1
101 1 63 GLU H 1 63 GLU HG3 . . 4.180 3.502 2.860 3.891 . 0 0 "[ . 1 . 2]" 1
102 1 21 ASP H 1 21 ASP QB . . 3.140 2.430 2.394 2.444 . 0 0 "[ . 1 . 2]" 1
103 1 11 VAL QG 1 63 GLU H . . 4.130 3.861 3.465 4.097 . 0 0 "[ . 1 . 2]" 1
104 1 63 GLU H 1 64 LYS H . . 4.670 4.447 4.431 4.464 . 0 0 "[ . 1 . 2]" 1
105 1 43 TRP HA 1 44 TRP H . . 2.780 2.154 2.152 2.157 . 0 0 "[ . 1 . 2]" 1
106 1 11 VAL HA 1 63 GLU H . . 5.360 4.604 4.344 4.829 . 0 0 "[ . 1 . 2]" 1
107 1 20 ASN HA 1 21 ASP H . . 3.480 3.460 3.447 3.486 0.006 14 0 "[ . 1 . 2]" 1
108 1 21 ASP H 1 22 PRO HA . . 5.040 5.261 5.250 5.303 0.263 14 0 "[ . 1 . 2]" 1
109 1 19 THR HA 1 21 ASP H . . 4.370 4.098 4.038 4.118 . 0 0 "[ . 1 . 2]" 1
110 1 19 THR HB 1 21 ASP H . . 4.790 4.344 4.255 4.447 . 0 0 "[ . 1 . 2]" 1
111 1 21 ASP H 1 24 GLU HB2 . . 3.890 4.248 4.185 4.314 0.424 14 0 "[ . 1 . 2]" 1
112 1 19 THR MG 1 21 ASP H . . 3.920 3.415 3.317 3.593 . 0 0 "[ . 1 . 2]" 1
113 1 61 LEU QD 1 63 GLU H . . 4.290 5.701 5.546 5.835 1.545 2 20 [*+**-***************] 1
114 1 9 THR MG 1 63 GLU H . . 5.500 5.480 5.193 5.720 0.220 17 0 "[ . 1 . 2]" 1
115 1 61 LEU QB 1 63 GLU H . . 5.500 5.067 4.911 5.211 . 0 0 "[ . 1 . 2]" 1
116 1 25 LEU HA 1 26 ALA H . . 2.710 2.493 2.474 2.526 . 0 0 "[ . 1 . 2]" 1
117 1 26 ALA H 1 26 ALA MB . . 2.860 2.295 2.273 2.329 . 0 0 "[ . 1 . 2]" 1
118 1 25 LEU HG 1 26 ALA H . . 3.270 2.590 2.496 2.664 . 0 0 "[ . 1 . 2]" 1
119 1 19 THR MG 1 26 ALA H . . 3.860 3.679 3.541 3.789 . 0 0 "[ . 1 . 2]" 1
120 1 26 ALA H 1 56 VAL QG . . 4.380 3.801 3.730 3.890 . 0 0 "[ . 1 . 2]" 1
121 1 25 LEU MD1 1 26 ALA H . . 4.090 3.632 3.566 3.680 . 0 0 "[ . 1 . 2]" 1
122 1 25 LEU MD2 1 26 ALA H . . 4.090 3.866 3.756 3.942 . 0 0 "[ . 1 . 2]" 1
123 1 25 LEU QB 1 26 ALA H . . 3.890 2.520 2.455 2.552 . 0 0 "[ . 1 . 2]" 1
124 1 44 TRP H 1 61 LEU QD . . 5.500 4.771 4.670 4.840 . 0 0 "[ . 1 . 2]" 1
125 1 44 TRP H 1 56 VAL QG . . 3.830 3.549 3.506 3.584 . 0 0 "[ . 1 . 2]" 1
126 1 44 TRP H 1 44 TRP HB2 . . 3.230 2.458 2.452 2.461 . 0 0 "[ . 1 . 2]" 1
127 1 43 TRP HB3 1 44 TRP H . . 4.290 4.216 4.204 4.239 . 0 0 "[ . 1 . 2]" 1
128 1 43 TRP HB2 1 44 TRP H . . 3.910 3.281 3.265 3.299 . 0 0 "[ . 1 . 2]" 1
129 1 44 TRP H 1 57 PRO HA . . 4.370 3.921 3.849 3.974 . 0 0 "[ . 1 . 2]" 1
130 1 44 TRP H 1 55 TYR HA . . 3.990 3.915 3.837 3.956 . 0 0 "[ . 1 . 2]" 1
131 1 26 ALA H 1 27 LEU QD . . 5.500 4.934 4.779 5.064 . 0 0 "[ . 1 . 2]" 1
132 1 40 GLU H 1 40 GLU HB2 . . 2.930 3.111 2.944 3.301 0.371 2 0 "[ . 1 . 2]" 1
133 1 26 ALA H 1 54 GLY HA3 . . 5.500 5.543 5.507 5.570 0.070 4 0 "[ . 1 . 2]" 1
134 1 44 TRP H 1 44 TRP HD1 . . 3.980 3.708 3.651 3.781 . 0 0 "[ . 1 . 2]" 1
135 1 43 TRP HE3 1 44 TRP H . . 4.470 3.763 3.728 3.778 . 0 0 "[ . 1 . 2]" 1
136 1 44 TRP H 1 55 TYR QD . . 4.030 3.958 3.908 3.995 . 0 0 "[ . 1 . 2]" 1
137 1 40 GLU H 1 40 GLU HB3 . . 3.190 3.331 3.111 3.454 0.264 16 0 "[ . 1 . 2]" 1
138 1 39 SER QB 1 40 GLU H . . 3.750 2.535 2.307 3.420 . 0 0 "[ . 1 . 2]" 1
139 1 44 TRP H 1 56 VAL HA . . 4.260 4.348 4.296 4.381 0.121 4 0 "[ . 1 . 2]" 1
140 1 18 GLN HA 1 26 ALA H . . 5.500 5.482 5.186 5.508 0.008 15 0 "[ . 1 . 2]" 1
141 1 40 GLU H 1 44 TRP HD1 . . 4.130 2.872 2.543 3.089 . 0 0 "[ . 1 . 2]" 1
142 1 29 ARG H 1 29 ARG QG . . 4.040 3.842 3.691 3.935 . 0 0 "[ . 1 . 2]" 1
143 1 29 ARG H 1 29 ARG HB3 . . 3.090 2.877 2.693 3.046 . 0 0 "[ . 1 . 2]" 1
144 1 28 ARG HA 1 29 ARG H . . 2.720 2.154 2.147 2.164 . 0 0 "[ . 1 . 2]" 1
145 1 29 ARG H 1 30 ASN H . . 4.780 4.588 4.570 4.611 . 0 0 "[ . 1 . 2]" 1
146 1 40 GLU H 1 44 TRP HE1 . . 4.550 3.023 2.791 3.198 . 0 0 "[ . 1 . 2]" 1
147 1 28 ARG QD 1 29 ARG H . . 3.930 3.147 2.394 3.790 . 0 0 "[ . 1 . 2]" 1
148 1 37 ASP HA 1 38 SER H . . 2.940 2.142 2.138 2.169 . 0 0 "[ . 1 . 2]" 1
149 1 16 ASP H 1 29 ARG H . . 3.460 3.647 3.583 3.668 0.208 9 0 "[ . 1 . 2]" 1
150 1 27 LEU HB3 1 29 ARG H . . 5.500 5.503 5.482 5.511 0.011 15 0 "[ . 1 . 2]" 1
151 1 28 ARG H 1 33 TYR QE . . 3.870 2.371 2.270 2.552 . 0 0 "[ . 1 . 2]" 1
152 1 37 ASP QB 1 38 SER H . . 4.180 3.609 3.498 3.683 . 0 0 "[ . 1 . 2]" 1
153 1 28 ARG H 1 31 GLU QB . . 3.650 3.049 2.934 3.276 . 0 0 "[ . 1 . 2]" 1
154 1 27 LEU HB2 1 28 ARG H . . 3.910 3.620 3.441 3.726 . 0 0 "[ . 1 . 2]" 1
155 1 28 ARG H 1 28 ARG HB2 . . 3.590 2.768 2.545 3.092 . 0 0 "[ . 1 . 2]" 1
156 1 13 ALA MB 1 28 ARG H . . 3.140 2.528 2.393 2.603 . 0 0 "[ . 1 . 2]" 1
157 1 28 ARG H 1 28 ARG HB3 . . 3.590 3.297 2.722 3.790 0.200 17 0 "[ . 1 . 2]" 1
158 1 27 LEU HB3 1 28 ARG H . . 3.620 2.542 2.390 2.678 . 0 0 "[ . 1 . 2]" 1
159 1 27 LEU QD 1 28 ARG H . . 3.820 3.445 3.265 3.557 . 0 0 "[ . 1 . 2]" 1
160 1 45 ARG H 1 45 ARG HG3 . . 4.560 3.849 3.602 4.104 . 0 0 "[ . 1 . 2]" 1
161 1 45 ARG H 1 45 ARG HB3 . . 3.350 3.252 3.180 3.333 . 0 0 "[ . 1 . 2]" 1
162 1 26 ALA MB 1 28 ARG H . . 5.500 5.380 5.292 5.461 . 0 0 "[ . 1 . 2]" 1
163 1 44 TRP HA 1 45 ARG H . . 2.950 2.141 2.140 2.143 . 0 0 "[ . 1 . 2]" 1
164 1 17 TYR H 1 28 ARG H . . 4.310 4.451 4.304 4.553 0.243 14 0 "[ . 1 . 2]" 1
165 1 37 ASP H 1 45 ARG H . . 3.690 3.291 3.219 3.398 . 0 0 "[ . 1 . 2]" 1
166 1 45 ARG H 1 55 TYR QE . . 4.260 4.984 4.908 5.046 0.786 1 20 [+*****-*************] 1
167 1 27 LEU HA 1 28 ARG H . . 2.750 2.357 2.302 2.427 . 0 0 "[ . 1 . 2]" 1
168 1 38 SER HA 1 45 ARG H . . 3.610 3.715 3.602 3.814 0.204 15 0 "[ . 1 . 2]" 1
169 1 37 ASP QB 1 45 ARG H . . 3.550 2.898 2.749 3.038 . 0 0 "[ . 1 . 2]" 1
170 1 44 TRP HB3 1 45 ARG H . . 3.650 3.623 3.585 3.668 0.018 13 0 "[ . 1 . 2]" 1
171 1 28 ARG H 1 28 ARG QD . . 4.710 4.428 4.239 4.561 . 0 0 "[ . 1 . 2]" 1
172 1 45 ARG H 1 55 TYR HA . . 4.470 4.453 4.412 4.488 0.018 12 0 "[ . 1 . 2]" 1
173 1 45 ARG H 1 45 ARG QD . . 4.780 4.605 4.472 4.808 0.028 12 0 "[ . 1 . 2]" 1
174 1 29 ARG H 1 29 ARG HB2 . . 3.090 2.228 2.124 2.371 . 0 0 "[ . 1 . 2]" 1
175 1 31 GLU H 1 31 GLU QB . . 2.920 2.690 2.648 2.742 . 0 0 "[ . 1 . 2]" 1
176 1 13 ALA MB 1 31 GLU H . . 3.360 2.591 2.515 2.744 . 0 0 "[ . 1 . 2]" 1
177 1 45 ARG H 1 45 ARG HG2 . . 4.560 4.076 3.612 4.334 . 0 0 "[ . 1 . 2]" 1
178 1 30 ASN H 1 31 GLU H . . 3.340 2.766 2.707 2.856 . 0 0 "[ . 1 . 2]" 1
179 1 31 GLU H 1 33 TYR QE . . 4.490 4.428 4.277 4.479 . 0 0 "[ . 1 . 2]" 1
180 1 29 ARG HA 1 31 GLU H . . 4.780 3.970 3.847 4.063 . 0 0 "[ . 1 . 2]" 1
181 1 12 ILE HA 1 31 GLU H . . 4.230 4.293 4.115 4.392 0.162 10 0 "[ . 1 . 2]" 1
182 1 12 ILE MG 1 31 GLU H . . 3.930 2.808 2.623 2.997 . 0 0 "[ . 1 . 2]" 1
183 1 58 SER H 1 58 SER HB2 . . 3.810 2.828 2.405 3.544 . 0 0 "[ . 1 . 2]" 1
184 1 57 PRO HA 1 58 SER H . . 2.770 2.158 2.151 2.171 . 0 0 "[ . 1 . 2]" 1
185 1 48 ASP H 1 52 HIS H . . 3.640 3.030 2.837 3.325 . 0 0 "[ . 1 . 2]" 1
186 1 44 TRP H 1 58 SER H . . 4.580 4.414 4.164 4.573 . 0 0 "[ . 1 . 2]" 1
187 1 51 GLY H 1 52 HIS H . . 2.840 1.915 1.897 1.941 . 0 0 "[ . 1 . 2]" 1
188 1 24 GLU HA 1 25 LEU H . . 3.040 2.408 2.383 2.446 . 0 0 "[ . 1 . 2]" 1
189 1 42 HIS HA 1 58 SER H . . 4.810 5.472 5.291 5.546 0.736 5 19 "[****+**********-** *]" 1
190 1 52 HIS H 1 52 HIS HB2 . . 3.160 2.714 2.668 2.773 . 0 0 "[ . 1 . 2]" 1
191 1 52 HIS H 1 52 HIS HB3 . . 3.980 3.786 3.768 3.796 . 0 0 "[ . 1 . 2]" 1
192 1 60 TYR H 1 60 TYR QB . . 2.980 2.508 2.448 2.568 . 0 0 "[ . 1 . 2]" 1
193 1 24 GLU HB3 1 25 LEU H . . 3.140 2.530 2.450 2.588 . 0 0 "[ . 1 . 2]" 1
194 1 24 GLU HB2 1 25 LEU H . . 3.810 3.329 3.255 3.391 . 0 0 "[ . 1 . 2]" 1
195 1 57 PRO HD2 1 58 SER H . . 5.500 5.599 5.547 5.627 0.127 13 0 "[ . 1 . 2]" 1
196 1 50 ASN HB2 1 52 HIS H . . 3.690 3.517 3.292 3.689 . 0 0 "[ . 1 . 2]" 1
197 1 58 SER H 1 61 LEU QD . . 4.430 4.349 4.262 4.452 0.022 15 0 "[ . 1 . 2]" 1
198 1 60 TYR H 1 61 LEU QD . . 4.470 4.223 4.137 4.309 . 0 0 "[ . 1 . 2]" 1
199 1 25 LEU H 1 25 LEU QB . . 3.300 2.264 2.239 2.293 . 0 0 "[ . 1 . 2]" 1
200 1 19 THR MG 1 25 LEU H . . 3.370 4.019 3.843 4.069 0.699 13 19 [****.*-*****+*******] 1
201 1 57 PRO HB2 1 58 SER H . . 4.350 3.503 3.389 3.660 . 0 0 "[ . 1 . 2]" 1
202 1 57 PRO HB2 1 60 TYR H . . 3.700 2.957 2.894 3.139 . 0 0 "[ . 1 . 2]" 1
203 1 60 TYR H 1 61 LEU HG . . 3.880 4.167 4.037 4.287 0.407 16 0 "[ . 1 . 2]" 1
204 1 58 SER H 1 58 SER HB3 . . 3.810 2.488 2.190 2.683 . 0 0 "[ . 1 . 2]" 1
205 1 57 PRO HB3 1 58 SER H . . 4.220 3.981 3.906 4.088 . 0 0 "[ . 1 . 2]" 1
206 1 44 TRP HE3 1 58 SER H . . 5.500 5.478 5.278 5.661 0.161 13 0 "[ . 1 . 2]" 1
207 1 58 SER H 1 60 TYR QD . . 5.500 4.876 4.713 5.028 . 0 0 "[ . 1 . 2]" 1
208 1 60 TYR H 1 60 TYR QD . . 3.400 2.212 2.180 2.275 . 0 0 "[ . 1 . 2]" 1
209 1 59 SER H 1 60 TYR H . . 3.200 2.686 2.656 2.708 . 0 0 "[ . 1 . 2]" 1
210 1 17 TYR H 1 27 LEU HB2 . . 3.260 2.001 1.948 2.079 . 0 0 "[ . 1 . 2]" 1
211 1 17 TYR H 1 27 LEU HB3 . . 3.840 3.486 3.396 3.577 . 0 0 "[ . 1 . 2]" 1
212 1 12 ILE MD 1 65 SER H . . 5.010 4.297 3.925 4.653 . 0 0 "[ . 1 . 2]" 1
213 1 60 TYR H 1 61 LEU QB . . 5.030 3.857 3.803 3.904 . 0 0 "[ . 1 . 2]" 1
214 1 58 SER HA 1 60 TYR H . . 4.280 3.611 3.537 3.663 . 0 0 "[ . 1 . 2]" 1
215 1 25 LEU H 1 55 TYR QB . . 4.660 3.455 3.380 3.515 . 0 0 "[ . 1 . 2]" 1
216 1 59 SER HB3 1 60 TYR H . . 4.560 3.317 2.998 4.379 . 0 0 "[ . 1 . 2]" 1
217 1 59 SER HB2 1 60 TYR H . . 4.560 3.865 3.534 4.366 . 0 0 "[ . 1 . 2]" 1
218 1 25 LEU H 1 54 GLY HA2 . . 4.120 4.463 4.402 4.511 0.391 7 0 "[ . 1 . 2]" 1
219 1 25 LEU H 1 54 GLY HA3 . . 4.150 3.295 3.257 3.333 . 0 0 "[ . 1 . 2]" 1
220 1 17 TYR H 1 17 TYR QB . . 2.570 2.256 2.234 2.280 . 0 0 "[ . 1 . 2]" 1
221 1 64 LYS QE 1 65 SER H . . 4.590 5.133 2.699 5.875 1.285 13 12 "[* - .** ****+ ** *]" 1
222 1 17 TYR H 1 18 GLN HA . . 5.500 5.367 5.265 5.499 . 0 0 "[ . 1 . 2]" 1
223 1 25 LEU H 1 55 TYR H . . 4.050 2.437 2.315 2.542 . 0 0 "[ . 1 . 2]" 1
224 1 58 SER H 1 60 TYR H . . 4.280 4.139 4.071 4.315 0.035 19 0 "[ . 1 . 2]" 1
225 1 25 LEU H 1 25 LEU MD1 . . 5.320 3.251 3.212 3.346 . 0 0 "[ . 1 . 2]" 1
226 1 25 LEU H 1 25 LEU MD2 . . 5.320 4.253 4.205 4.299 . 0 0 "[ . 1 . 2]" 1
227 1 64 LYS HB2 1 65 SER H . . 4.600 4.535 4.469 4.582 . 0 0 "[ . 1 . 2]" 1
228 1 13 ALA MB 1 17 TYR H . . 5.150 4.272 4.191 4.380 . 0 0 "[ . 1 . 2]" 1
229 1 17 TYR H 1 27 LEU HG . . 5.500 4.173 4.055 4.272 . 0 0 "[ . 1 . 2]" 1
230 1 64 LYS HA 1 65 SER H . . 2.800 2.199 2.175 2.248 . 0 0 "[ . 1 . 2]" 1
231 1 19 THR HB 1 20 ASN H . . 4.160 3.722 3.692 3.767 . 0 0 "[ . 1 . 2]" 1
232 1 19 THR HA 1 20 ASN H . . 3.140 2.378 2.338 2.386 . 0 0 "[ . 1 . 2]" 1
233 1 17 TYR H 1 60 TYR QD . . 4.190 5.427 5.180 5.652 1.462 6 20 [*****+**********-***] 1
234 1 20 ASN H 1 21 ASP H . . 3.230 2.159 2.122 2.219 . 0 0 "[ . 1 . 2]" 1
235 1 49 ARG H 1 52 HIS H . . 5.410 5.172 5.039 5.403 . 0 0 "[ . 1 . 2]" 1
236 1 25 LEU H 1 26 ALA H . . 4.670 4.503 4.487 4.517 . 0 0 "[ . 1 . 2]" 1
237 1 19 THR MG 1 20 ASN H . . 4.070 3.614 3.580 3.749 . 0 0 "[ . 1 . 2]" 1
238 1 17 TYR H 1 26 ALA MB . . 4.820 4.553 4.431 4.690 . 0 0 "[ . 1 . 2]" 1
239 1 7 GLU HA 1 8 GLU H . . 2.960 2.388 2.142 2.957 . 0 0 "[ . 1 . 2]" 1
240 1 8 GLU H 1 9 THR H . . 4.040 2.427 1.905 3.317 . 0 0 "[ . 1 . 2]" 1
241 1 11 VAL HA 1 12 ILE H . . 2.750 2.245 2.227 2.284 . 0 0 "[ . 1 . 2]" 1
242 1 11 VAL HB 1 12 ILE H . . 3.100 2.815 2.688 2.876 . 0 0 "[ . 1 . 2]" 1
243 1 12 ILE H 1 12 ILE HG12 . . 4.210 3.283 3.212 3.348 . 0 0 "[ . 1 . 2]" 1
244 1 12 ILE H 1 12 ILE HB . . 3.080 2.792 2.743 2.833 . 0 0 "[ . 1 . 2]" 1
245 1 12 ILE H 1 61 LEU QD . . 5.260 3.215 3.095 3.409 . 0 0 "[ . 1 . 2]" 1
246 1 12 ILE H 1 12 ILE MD . . 3.670 3.800 3.772 3.834 0.164 12 0 "[ . 1 . 2]" 1
247 1 40 GLU HB2 1 43 TRP H . . 4.430 4.830 4.586 5.088 0.658 2 8 "[*+**. * 1 - *. * 2]" 1
248 1 40 GLU HB3 1 43 TRP H . . 3.630 3.614 3.513 3.684 0.054 6 0 "[ . 1 . 2]" 1
249 1 43 TRP H 1 43 TRP HB3 . . 3.160 3.402 3.374 3.414 0.254 3 0 "[ . 1 . 2]" 1
250 1 43 TRP H 1 43 TRP HB2 . . 3.940 3.957 3.940 3.968 0.028 12 0 "[ . 1 . 2]" 1
251 1 42 HIS QB 1 43 TRP H . . 3.890 2.454 2.398 2.513 . 0 0 "[ . 1 . 2]" 1
252 1 12 ILE H 1 63 GLU HA . . 4.190 4.104 3.922 4.278 0.088 17 0 "[ . 1 . 2]" 1
253 1 12 ILE H 1 13 ALA H . . 4.730 4.471 4.452 4.487 . 0 0 "[ . 1 . 2]" 1
254 1 42 HIS H 1 43 TRP H . . 3.250 2.835 2.825 2.841 . 0 0 "[ . 1 . 2]" 1
255 1 41 ILE H 1 43 TRP H . . 4.580 4.751 4.710 4.773 0.193 7 0 "[ . 1 . 2]" 1
256 1 43 TRP H 1 43 TRP HD1 . . 3.770 3.373 3.332 3.396 . 0 0 "[ . 1 . 2]" 1
257 1 43 TRP H 1 44 TRP H . . 4.340 4.135 4.120 4.159 . 0 0 "[ . 1 . 2]" 1
258 1 40 GLU HA 1 43 TRP H . . 4.770 5.073 5.004 5.115 0.345 7 0 "[ . 1 . 2]" 1
259 1 12 ILE H 1 62 VAL HB . . 5.500 4.060 3.379 4.576 . 0 0 "[ . 1 . 2]" 1
260 1 12 ILE H 1 64 LYS HB2 . . 4.550 3.836 3.715 4.106 . 0 0 "[ . 1 . 2]" 1
261 1 12 ILE H 1 61 LEU QB . . 4.690 3.999 3.900 4.122 . 0 0 "[ . 1 . 2]" 1
262 1 11 VAL QG 1 12 ILE H . . 3.480 3.343 3.296 3.370 . 0 0 "[ . 1 . 2]" 1
263 1 41 ILE HA 1 43 TRP H . . 5.000 4.192 4.125 4.255 . 0 0 "[ . 1 . 2]" 1
264 1 24 GLU H 1 24 GLU HB2 . . 2.950 2.752 2.736 2.774 . 0 0 "[ . 1 . 2]" 1
265 1 24 GLU H 1 24 GLU QG . . 3.960 2.374 2.148 2.485 . 0 0 "[ . 1 . 2]" 1
266 1 8 GLU H 1 8 GLU QG . . 2.730 2.073 1.935 2.510 . 0 0 "[ . 1 . 2]" 1
267 1 53 GLU H 1 53 GLU HG3 . . 3.410 2.792 2.411 3.175 . 0 0 "[ . 1 . 2]" 1
268 1 53 GLU H 1 53 GLU HB2 . . 3.260 2.746 2.693 2.806 . 0 0 "[ . 1 . 2]" 1
269 1 53 GLU H 1 53 GLU HB3 . . 3.940 3.764 3.735 3.818 . 0 0 "[ . 1 . 2]" 1
270 1 25 LEU MD1 1 53 GLU H . . 5.030 4.131 3.954 4.297 . 0 0 "[ . 1 . 2]" 1
271 1 25 LEU MD2 1 53 GLU H . . 5.030 3.605 3.526 3.710 . 0 0 "[ . 1 . 2]" 1
272 1 25 LEU QB 1 53 GLU H . . 4.890 6.195 6.097 6.329 1.439 17 20 [*********-******+***] 1
273 1 19 THR MG 1 24 GLU H . . 4.420 3.464 3.370 3.554 . 0 0 "[ . 1 . 2]" 1
274 1 21 ASP QB 1 24 GLU H . . 3.370 3.503 3.467 3.536 0.166 7 0 "[ . 1 . 2]" 1
275 1 52 HIS HB2 1 53 GLU H . . 4.090 4.099 3.815 4.222 0.132 11 0 "[ . 1 . 2]" 1
276 1 52 HIS HB3 1 53 GLU H . . 3.460 3.298 2.971 3.441 . 0 0 "[ . 1 . 2]" 1
277 1 9 THR H 1 9 THR HB . . 3.170 2.804 2.639 3.081 . 0 0 "[ . 1 . 2]" 1
278 1 8 GLU HA 1 9 THR H . . 2.810 3.257 2.623 3.558 0.748 10 12 "[ ** .* *+ -****** 2]" 1
279 1 52 HIS HA 1 53 GLU H . . 2.740 2.160 2.142 2.226 . 0 0 "[ . 1 . 2]" 1
280 1 23 GLN HA 1 24 GLU H . . 3.450 3.527 3.512 3.541 0.091 12 0 "[ . 1 . 2]" 1
281 1 21 ASP HA 1 24 GLU H . . 4.470 5.191 5.163 5.222 0.752 19 20 [*****************-+*] 1
282 1 23 GLN H 1 24 GLU H . . 2.890 2.711 2.682 2.741 . 0 0 "[ . 1 . 2]" 1
283 1 9 THR H 1 9 THR MG . . 4.060 3.920 3.846 4.022 . 0 0 "[ . 1 . 2]" 1
284 1 47 GLN HA 1 53 GLU H . . 4.920 4.503 4.434 4.646 . 0 0 "[ . 1 . 2]" 1
285 1 53 GLU H 1 54 GLY H . . 4.660 4.467 4.428 4.500 . 0 0 "[ . 1 . 2]" 1
286 1 24 GLU H 1 25 LEU H . . 4.680 4.541 4.523 4.559 . 0 0 "[ . 1 . 2]" 1
287 1 21 ASP H 1 24 GLU H . . 4.580 4.166 4.118 4.209 . 0 0 "[ . 1 . 2]" 1
288 1 9 THR H 1 35 LEU H . . 4.330 4.327 4.095 4.555 0.225 1 0 "[ . 1 . 2]" 1
289 1 34 CYS H 1 47 GLN H . . 3.280 3.012 2.894 3.106 . 0 0 "[ . 1 . 2]" 1
290 1 46 VAL H 1 54 GLY H . . 3.350 3.026 2.937 3.133 . 0 0 "[ . 1 . 2]" 1
291 1 33 TYR HA 1 34 CYS H . . 3.140 2.153 2.148 2.164 . 0 0 "[ . 1 . 2]" 1
292 1 45 ARG HA 1 46 VAL H . . 2.850 2.141 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
293 1 34 CYS H 1 48 ASP HA . . 4.260 3.988 3.874 4.100 . 0 0 "[ . 1 . 2]" 1
294 1 34 CYS H 1 35 LEU HA . . 5.500 5.352 5.305 5.381 . 0 0 "[ . 1 . 2]" 1
295 1 34 CYS H 1 46 VAL HB . . 4.420 3.976 3.828 4.075 . 0 0 "[ . 1 . 2]" 1
296 1 33 TYR HB2 1 34 CYS H . . 4.420 4.235 4.190 4.264 . 0 0 "[ . 1 . 2]" 1
297 1 33 TYR HB3 1 34 CYS H . . 3.500 3.273 3.198 3.305 . 0 0 "[ . 1 . 2]" 1
298 1 34 CYS H 1 34 CYS HB2 . . 3.200 2.244 2.074 2.670 . 0 0 "[ . 1 . 2]" 1
299 1 34 CYS H 1 34 CYS HB3 . . 3.460 3.340 2.408 3.597 0.137 2 0 "[ . 1 . 2]" 1
300 1 45 ARG HB3 1 46 VAL H . . 4.020 3.760 3.643 3.840 . 0 0 "[ . 1 . 2]" 1
301 1 46 VAL H 1 46 VAL MG1 . . 3.370 2.967 2.920 3.021 . 0 0 "[ . 1 . 2]" 1
302 1 46 VAL H 1 56 VAL H . . 4.680 4.441 4.311 4.506 . 0 0 "[ . 1 . 2]" 1
303 1 33 TYR H 1 34 CYS H . . 4.460 4.209 4.169 4.267 . 0 0 "[ . 1 . 2]" 1
304 1 33 TYR QD 1 34 CYS H . . 4.740 4.059 3.926 4.152 . 0 0 "[ . 1 . 2]" 1
305 1 46 VAL H 1 53 GLU HA . . 4.910 4.595 4.511 4.687 . 0 0 "[ . 1 . 2]" 1
306 1 5 SER HA 1 7 GLU H . . 5.070 4.536 3.991 4.990 . 0 0 "[ . 1 . 2]" 1
307 1 46 VAL H 1 54 GLY HA3 . . 5.500 4.793 4.749 4.818 . 0 0 "[ . 1 . 2]" 1
308 1 45 ARG QD 1 46 VAL H . . 5.500 4.270 3.199 4.915 . 0 0 "[ . 1 . 2]" 1
309 1 46 VAL H 1 46 VAL HB . . 3.940 3.877 3.853 3.898 . 0 0 "[ . 1 . 2]" 1
310 1 45 ARG HB2 1 46 VAL H . . 4.620 4.547 4.510 4.580 . 0 0 "[ . 1 . 2]" 1
311 1 46 VAL H 1 56 VAL QG . . 4.840 3.158 3.076 3.245 . 0 0 "[ . 1 . 2]" 1
312 1 34 CYS H 1 47 GLN HB3 . . 4.470 3.532 3.335 3.673 . 0 0 "[ . 1 . 2]" 1
313 1 10 VAL HA 1 11 VAL H . . 2.740 2.316 2.300 2.332 . 0 0 "[ . 1 . 2]" 1
314 1 31 GLU HA 1 32 GLU H . . 2.700 2.361 2.229 2.460 . 0 0 "[ . 1 . 2]" 1
315 1 54 GLY HA2 1 55 TYR H . . 3.150 2.630 2.583 2.672 . 0 0 "[ . 1 . 2]" 1
316 1 55 TYR H 1 55 TYR QB . . 3.140 2.427 2.413 2.439 . 0 0 "[ . 1 . 2]" 1
317 1 61 LEU H 1 61 LEU QB . . 3.440 2.555 2.497 2.610 . 0 0 "[ . 1 . 2]" 1
318 1 61 LEU H 1 61 LEU HG . . 3.360 3.572 3.502 3.583 0.223 10 0 "[ . 1 . 2]" 1
319 1 61 LEU H 1 61 LEU QD . . 3.770 3.770 3.734 3.790 0.020 2 0 "[ . 1 . 2]" 1
320 1 32 GLU H 1 32 GLU QB . . 2.910 2.337 2.235 2.422 . 0 0 "[ . 1 . 2]" 1
321 1 31 GLU QB 1 32 GLU H . . 2.750 3.196 2.919 3.452 0.702 18 5 "[- . 1 .* +**]" 1
322 1 24 GLU HB2 1 55 TYR H . . 4.950 4.684 4.588 4.789 . 0 0 "[ . 1 . 2]" 1
323 1 10 VAL HB 1 11 VAL H . . 3.960 3.589 3.534 3.645 . 0 0 "[ . 1 . 2]" 1
324 1 58 SER HA 1 61 LEU H . . 3.550 3.418 3.251 3.571 0.021 2 0 "[ . 1 . 2]" 1
325 1 60 TYR QB 1 61 LEU H . . 3.860 3.677 3.585 3.725 . 0 0 "[ . 1 . 2]" 1
326 1 11 VAL HB 1 61 LEU H . . 5.500 5.558 5.542 5.569 0.069 15 0 "[ . 1 . 2]" 1
327 1 54 GLY HA3 1 55 TYR H . . 3.050 2.497 2.458 2.543 . 0 0 "[ . 1 . 2]" 1
328 1 59 SER HA 1 61 LEU H . . 3.940 3.754 3.706 3.817 . 0 0 "[ . 1 . 2]" 1
329 1 32 GLU HA 1 33 TYR H . . 2.660 2.319 2.270 2.350 . 0 0 "[ . 1 . 2]" 1
330 1 61 LEU H 1 62 VAL H . . 4.530 4.314 4.284 4.351 . 0 0 "[ . 1 . 2]" 1
331 1 60 TYR H 1 61 LEU H . . 3.050 2.482 2.397 2.588 . 0 0 "[ . 1 . 2]" 1
332 1 55 TYR H 1 55 TYR QD . . 3.690 2.303 2.241 2.373 . 0 0 "[ . 1 . 2]" 1
333 1 55 TYR H 1 55 TYR QE . . 5.430 4.499 4.450 4.537 . 0 0 "[ . 1 . 2]" 1
334 1 31 GLU H 1 32 GLU H . . 4.510 4.407 4.351 4.436 . 0 0 "[ . 1 . 2]" 1
335 1 11 VAL H 1 35 LEU H . . 3.830 3.570 3.472 3.713 . 0 0 "[ . 1 . 2]" 1
336 1 13 ALA H 1 33 TYR H . . 5.010 5.015 5.009 5.022 0.012 18 0 "[ . 1 . 2]" 1
337 1 32 GLU H 1 33 TYR H . . 4.460 4.516 4.481 4.561 0.101 20 0 "[ . 1 . 2]" 1
338 1 33 TYR H 1 33 TYR QD . . 3.380 3.253 3.195 3.325 . 0 0 "[ . 1 . 2]" 1
339 1 24 GLU HA 1 55 TYR H . . 3.230 1.997 1.946 2.089 . 0 0 "[ . 1 . 2]" 1
340 1 13 ALA HA 1 61 LEU H . . 4.890 5.300 5.242 5.374 0.484 11 0 "[ . 1 . 2]" 1
341 1 11 VAL H 1 33 TYR HA . . 4.780 4.662 4.605 4.736 . 0 0 "[ . 1 . 2]" 1
342 1 11 VAL H 1 63 GLU HA . . 5.150 5.128 4.783 5.385 0.235 18 0 "[ . 1 . 2]" 1
343 1 33 TYR H 1 33 TYR HB3 . . 4.080 3.863 3.823 3.897 . 0 0 "[ . 1 . 2]" 1
344 1 33 TYR H 1 33 TYR HB2 . . 3.360 2.792 2.726 2.850 . 0 0 "[ . 1 . 2]" 1
345 1 11 VAL H 1 33 TYR HB2 . . 3.810 3.614 3.517 3.727 . 0 0 "[ . 1 . 2]" 1
346 1 32 GLU HG2 1 33 TYR H . . 4.230 3.789 3.465 4.233 0.003 20 0 "[ . 1 . 2]" 1
347 1 32 GLU QB 1 33 TYR H . . 3.630 2.690 2.609 2.826 . 0 0 "[ . 1 . 2]" 1
348 1 11 VAL H 1 35 LEU HB2 . . 4.770 3.871 3.722 4.096 . 0 0 "[ . 1 . 2]" 1
349 1 24 GLU HB3 1 55 TYR H . . 3.530 3.538 3.408 3.660 0.130 13 0 "[ . 1 . 2]" 1
350 1 11 VAL H 1 61 LEU QD . . 5.400 4.164 4.094 4.224 . 0 0 "[ . 1 . 2]" 1
351 1 46 VAL H 1 46 VAL MG2 . . 3.370 2.254 2.213 2.307 . 0 0 "[ . 1 . 2]" 1
352 1 25 LEU QB 1 55 TYR H . . 4.960 3.053 2.950 3.145 . 0 0 "[ . 1 . 2]" 1
353 1 46 VAL HB 1 47 GLN H . . 2.920 2.315 2.241 2.430 . 0 0 "[ . 1 . 2]" 1
354 1 11 VAL HB 1 33 TYR H . . 5.370 4.993 4.846 5.093 . 0 0 "[ . 1 . 2]" 1
355 1 32 GLU HG3 1 33 TYR H . . 4.230 3.910 3.449 4.219 . 0 0 "[ . 1 . 2]" 1
356 1 39 SER H 1 39 SER QB . . 3.200 2.362 2.211 2.807 . 0 0 "[ . 1 . 2]" 1
357 1 38 SER HA 1 39 SER H . . 3.350 2.269 2.175 2.388 . 0 0 "[ . 1 . 2]" 1
358 1 39 SER H 1 40 GLU HB2 . . 5.500 5.063 4.839 5.240 . 0 0 "[ . 1 . 2]" 1
359 1 37 ASP QB 1 39 SER H . . 4.350 4.201 3.757 4.567 0.217 12 0 "[ . 1 . 2]" 1
360 1 46 VAL HA 1 47 GLN H . . 2.950 2.449 2.396 2.487 . 0 0 "[ . 1 . 2]" 1
361 1 10 VAL HA 1 33 TYR H . . 4.450 4.345 4.277 4.457 0.007 12 0 "[ . 1 . 2]" 1
362 1 33 TYR H 1 34 CYS HA . . 5.050 4.681 4.640 4.730 . 0 0 "[ . 1 . 2]" 1
363 1 33 TYR H 1 33 TYR QE . . 5.110 5.226 5.189 5.272 0.162 8 0 "[ . 1 . 2]" 1
364 1 38 SER H 1 39 SER H . . 3.380 3.720 3.530 3.916 0.536 12 1 "[ . 1 + . 2]" 1
365 1 39 SER H 1 40 GLU H . . 3.320 2.315 2.097 2.615 . 0 0 "[ . 1 . 2]" 1
366 1 11 VAL HA 1 33 TYR H . . 4.890 4.643 4.574 4.723 . 0 0 "[ . 1 . 2]" 1
367 1 47 GLN H 1 47 GLN HB2 . . 3.590 3.234 3.153 3.274 . 0 0 "[ . 1 . 2]" 1
368 1 46 VAL MG1 1 47 GLN H . . 3.960 3.742 3.717 3.791 . 0 0 "[ . 1 . 2]" 1
369 1 46 VAL MG2 1 47 GLN H . . 3.960 3.154 3.074 3.249 . 0 0 "[ . 1 . 2]" 1
370 1 33 TYR HB3 1 47 GLN H . . 3.630 3.159 3.061 3.346 . 0 0 "[ . 1 . 2]" 1
371 1 34 CYS HB2 1 47 GLN H . . 5.500 3.450 2.993 4.518 . 0 0 "[ . 1 . 2]" 1
372 1 34 CYS HB3 1 47 GLN H . . 5.500 3.748 3.049 4.474 . 0 0 "[ . 1 . 2]" 1
373 1 33 TYR HB2 1 47 GLN H . . 4.760 4.674 4.577 4.839 0.079 17 0 "[ . 1 . 2]" 1
374 1 38 SER QB 1 39 SER H . . 4.770 3.766 3.592 3.886 . 0 0 "[ . 1 . 2]" 1
375 1 35 LEU HA 1 47 GLN H . . 4.510 3.888 3.836 3.947 . 0 0 "[ . 1 . 2]" 1
376 1 11 VAL H 1 33 TYR H . . 3.000 2.586 2.479 2.666 . 0 0 "[ . 1 . 2]" 1
377 1 11 VAL QG 1 47 GLN H . . 5.500 4.633 4.510 4.864 . 0 0 "[ . 1 . 2]" 1
378 1 13 ALA H 1 30 ASN H . . 4.680 4.607 4.456 4.682 0.002 15 0 "[ . 1 . 2]" 1
379 1 49 ARG H 1 50 ASN H . . 3.410 2.640 2.560 2.750 . 0 0 "[ . 1 . 2]" 1
380 1 40 GLU H 1 41 ILE H . . 4.650 4.358 4.340 4.373 . 0 0 "[ . 1 . 2]" 1
381 1 48 ASP HA 1 49 ARG H . . 3.250 2.654 2.622 2.715 . 0 0 "[ . 1 . 2]" 1
382 1 40 GLU HA 1 41 ILE H . . 3.010 2.390 2.346 2.448 . 0 0 "[ . 1 . 2]" 1
383 1 30 ASN H 1 30 ASN HA . . 2.740 2.274 2.274 2.275 . 0 0 "[ . 1 . 2]" 1
384 1 48 ASP HB2 1 49 ARG H . . 3.670 2.998 1.928 3.673 0.003 8 0 "[ . 1 . 2]" 1
385 1 29 ARG HA 1 30 ASN H . . 2.600 2.179 2.164 2.204 . 0 0 "[ . 1 . 2]" 1
386 1 48 ASP HB3 1 49 ARG H . . 3.670 2.358 1.945 3.456 . 0 0 "[ . 1 . 2]" 1
387 1 40 GLU HB3 1 41 ILE H . . 3.940 3.150 2.959 3.426 . 0 0 "[ . 1 . 2]" 1
388 1 40 GLU HB2 1 41 ILE H . . 5.180 4.016 3.928 4.108 . 0 0 "[ . 1 . 2]" 1
389 1 13 ALA MB 1 30 ASN H . . 3.390 3.475 3.344 3.556 0.166 15 0 "[ . 1 . 2]" 1
390 1 29 ARG QG 1 30 ASN H . . 3.450 2.643 2.421 2.969 . 0 0 "[ . 1 . 2]" 1
391 1 41 ILE H 1 41 ILE HB . . 3.160 2.535 2.452 2.614 . 0 0 "[ . 1 . 2]" 1
392 1 41 ILE H 1 41 ILE QG . . 3.880 3.976 3.971 3.992 0.112 17 0 "[ . 1 . 2]" 1
393 1 12 ILE MG 1 30 ASN H . . 4.210 3.921 3.773 4.008 . 0 0 "[ . 1 . 2]" 1
394 1 41 ILE H 1 41 ILE MD . . 4.480 4.350 4.254 4.394 . 0 0 "[ . 1 . 2]" 1
395 1 41 ILE H 1 41 ILE MG . . 3.600 2.105 1.970 2.287 . 0 0 "[ . 1 . 2]" 1
396 1 15 TYR HB2 1 16 ASP H . . 3.990 3.689 3.599 3.837 . 0 0 "[ . 1 . 2]" 1
397 1 50 ASN H 1 50 ASN HB2 . . 2.920 2.714 2.667 2.740 . 0 0 "[ . 1 . 2]" 1
398 1 50 ASN H 1 50 ASN HB3 . . 3.930 3.779 3.768 3.785 . 0 0 "[ . 1 . 2]" 1
399 1 15 TYR HB3 1 16 ASP H . . 3.300 2.702 2.625 2.766 . 0 0 "[ . 1 . 2]" 1
400 1 49 ARG H 1 49 ARG QD . . 4.410 3.540 2.222 4.407 . 0 0 "[ . 1 . 2]" 1
401 1 14 LEU HA 1 30 ASN H . . 4.110 4.066 4.005 4.115 0.005 16 0 "[ . 1 . 2]" 1
402 1 48 ASP HB2 1 50 ASN H . . 4.160 2.901 2.391 3.881 . 0 0 "[ . 1 . 2]" 1
403 1 15 TYR HA 1 16 ASP H . . 2.960 2.304 2.273 2.337 . 0 0 "[ . 1 . 2]" 1
404 1 33 TYR QD 1 49 ARG H . . 5.430 4.790 4.689 4.812 . 0 0 "[ . 1 . 2]" 1
405 1 33 TYR QE 1 49 ARG H . . 5.500 4.735 4.610 4.879 . 0 0 "[ . 1 . 2]" 1
406 1 15 TYR H 1 30 ASN H . . 5.050 5.314 5.237 5.332 0.282 17 0 "[ . 1 . 2]" 1
407 1 15 TYR QD 1 16 ASP H . . 4.730 4.062 3.945 4.128 . 0 0 "[ . 1 . 2]" 1
408 1 50 ASN H 1 50 ASN QD . . 3.710 2.272 2.224 2.352 . 0 0 "[ . 1 . 2]" 1
409 1 50 ASN H 1 52 HIS H . . 3.620 3.249 3.231 3.270 . 0 0 "[ . 1 . 2]" 1
410 1 14 LEU H 1 30 ASN H . . 4.860 5.369 5.312 5.404 0.544 17 13 "[- **.*** 1** * +***]" 1
411 1 48 ASP H 1 49 ARG H . . 4.530 4.493 4.451 4.515 . 0 0 "[ . 1 . 2]" 1
412 1 27 LEU H 1 56 VAL HA . . 5.500 6.256 6.160 6.320 0.820 3 20 [**+*************-***] 1
413 1 16 ASP H 1 29 ARG HA . . 4.340 4.336 4.291 4.353 0.013 18 0 "[ . 1 . 2]" 1
414 1 17 TYR QB 1 27 LEU H . . 3.180 1.952 1.939 2.120 . 0 0 "[ . 1 . 2]" 1
415 1 27 LEU H 1 27 LEU HB2 . . 3.470 2.570 2.513 2.610 . 0 0 "[ . 1 . 2]" 1
416 1 26 ALA MB 1 27 LEU H . . 3.360 2.758 2.691 2.822 . 0 0 "[ . 1 . 2]" 1
417 1 27 LEU H 1 27 LEU HB3 . . 3.780 3.700 3.682 3.717 . 0 0 "[ . 1 . 2]" 1
418 1 49 ARG HB2 1 50 ASN H . . 5.190 4.286 3.861 4.478 . 0 0 "[ . 1 . 2]" 1
419 1 49 ARG HB3 1 50 ASN H . . 5.190 4.480 4.342 4.569 . 0 0 "[ . 1 . 2]" 1
420 1 16 ASP H 1 29 ARG QG . . 4.790 3.860 3.297 4.241 . 0 0 "[ . 1 . 2]" 1
421 1 27 LEU H 1 27 LEU QD . . 4.330 3.292 3.246 3.344 . 0 0 "[ . 1 . 2]" 1
422 1 41 ILE H 1 42 HIS HE1 . . 5.400 5.353 5.251 5.405 0.005 1 0 "[ . 1 . 2]" 1
423 1 4 GLY H 1 5 SER H . . 4.480 3.451 2.416 4.431 . 0 0 "[ . 1 . 2]" 1
424 1 26 ALA HA 1 27 LEU H . . 2.840 2.276 2.251 2.302 . 0 0 "[ . 1 . 2]" 1
425 1 27 LEU H 1 56 VAL QG . . 3.050 3.656 3.567 3.749 0.699 3 20 [**+****************-] 1
426 1 26 ALA H 1 27 LEU H . . 4.520 4.510 4.494 4.522 0.002 6 0 "[ . 1 . 2]" 1
427 1 18 GLN H 1 27 LEU H . . 4.960 4.600 4.503 4.628 . 0 0 "[ . 1 . 2]" 1
428 1 12 ILE H 1 62 VAL H . . 3.210 2.468 2.406 2.518 . 0 0 "[ . 1 . 2]" 1
429 1 41 ILE H 1 42 HIS H . . 3.510 2.713 2.705 2.734 . 0 0 "[ . 1 . 2]" 1
430 1 61 LEU HA 1 62 VAL H . . 2.730 2.172 2.170 2.175 . 0 0 "[ . 1 . 2]" 1
431 1 42 HIS H 1 42 HIS QB . . 3.350 2.466 2.355 2.598 . 0 0 "[ . 1 . 2]" 1
432 1 12 ILE HB 1 62 VAL H . . 4.010 3.364 3.288 3.414 . 0 0 "[ . 1 . 2]" 1
433 1 41 ILE HB 1 42 HIS H . . 4.280 4.167 4.081 4.199 . 0 0 "[ . 1 . 2]" 1
434 1 61 LEU QB 1 62 VAL H . . 3.320 3.099 3.091 3.110 . 0 0 "[ . 1 . 2]" 1
435 1 62 VAL H 1 62 VAL MG2 . . 4.020 3.402 2.803 3.890 . 0 0 "[ . 1 . 2]" 1
436 1 41 ILE MG 1 42 HIS H . . 4.000 2.429 2.224 2.544 . 0 0 "[ . 1 . 2]" 1
437 1 62 VAL H 1 62 VAL MG1 . . 4.020 2.889 2.111 3.828 . 0 0 "[ . 1 . 2]" 1
438 1 61 LEU QD 1 62 VAL H . . 4.140 3.062 2.996 3.141 . 0 0 "[ . 1 . 2]" 1
439 1 22 PRO QG 1 23 GLN H . . 3.570 2.771 2.760 2.808 . 0 0 "[ . 1 . 2]" 1
440 1 23 GLN H 1 23 GLN HB3 . . 3.450 2.851 2.783 2.881 . 0 0 "[ . 1 . 2]" 1
441 1 23 GLN H 1 23 GLN HB2 . . 3.450 2.237 2.215 2.291 . 0 0 "[ . 1 . 2]" 1
442 1 11 VAL HB 1 62 VAL H . . 3.810 3.301 3.213 3.356 . 0 0 "[ . 1 . 2]" 1
443 1 62 VAL H 1 62 VAL HB . . 3.850 2.740 2.561 2.901 . 0 0 "[ . 1 . 2]" 1
444 1 21 ASP QB 1 23 GLN H . . 3.230 2.226 2.200 2.241 . 0 0 "[ . 1 . 2]" 1
445 1 40 GLU HB3 1 42 HIS H . . 3.300 2.283 2.154 2.468 . 0 0 "[ . 1 . 2]" 1
446 1 40 GLU HB2 1 42 HIS H . . 4.820 3.963 3.859 4.071 . 0 0 "[ . 1 . 2]" 1
447 1 22 PRO HD3 1 23 GLN H . . 4.280 3.890 3.888 3.899 . 0 0 "[ . 1 . 2]" 1
448 1 22 PRO HA 1 23 GLN H . . 3.560 3.443 3.435 3.446 . 0 0 "[ . 1 . 2]" 1
449 1 11 VAL HA 1 62 VAL H . . 5.500 4.123 3.996 4.244 . 0 0 "[ . 1 . 2]" 1
450 1 62 VAL H 1 63 GLU H . . 4.550 4.407 4.335 4.474 . 0 0 "[ . 1 . 2]" 1
451 1 61 LEU HG 1 62 VAL H . . 4.970 4.740 4.688 4.851 . 0 0 "[ . 1 . 2]" 1
452 1 22 PRO HD2 1 23 GLN H . . 4.280 2.736 2.732 2.751 . 0 0 "[ . 1 . 2]" 1
453 1 21 ASP HA 1 23 GLN H . . 3.790 4.025 4.012 4.031 0.241 4 0 "[ . 1 . 2]" 1
454 1 13 ALA HA 1 62 VAL H . . 4.050 4.233 4.209 4.267 0.217 6 0 "[ . 1 . 2]" 1
455 1 23 GLN H 1 24 GLU HA . . 4.890 5.322 5.301 5.340 0.450 19 0 "[ . 1 . 2]" 1
456 1 42 HIS H 1 42 HIS HD2 . . 5.500 4.604 3.969 5.074 . 0 0 "[ . 1 . 2]" 1
457 1 42 HIS H 1 43 TRP HD1 . . 5.500 5.047 5.022 5.087 . 0 0 "[ . 1 . 2]" 1
458 1 40 GLU H 1 42 HIS H . . 5.060 4.372 4.344 4.410 . 0 0 "[ . 1 . 2]" 1
459 1 36 LEU H 1 37 ASP H . . 2.780 2.129 2.062 2.303 . 0 0 "[ . 1 . 2]" 1
460 1 35 LEU HA 1 37 ASP H . . 4.390 4.132 4.042 4.152 . 0 0 "[ . 1 . 2]" 1
461 1 37 ASP H 1 37 ASP QB . . 3.310 2.586 2.552 2.661 . 0 0 "[ . 1 . 2]" 1
462 1 37 ASP H 1 45 ARG HB2 . . 3.480 2.950 2.823 3.046 . 0 0 "[ . 1 . 2]" 1
463 1 36 LEU HB2 1 37 ASP H . . 3.740 2.397 2.355 2.538 . 0 0 "[ . 1 . 2]" 1
464 1 37 ASP H 1 45 ARG HB3 . . 3.280 2.466 2.306 2.656 . 0 0 "[ . 1 . 2]" 1
465 1 35 LEU MD2 1 37 ASP H . . 3.960 3.840 3.742 3.940 . 0 0 "[ . 1 . 2]" 1
466 1 35 LEU HG 1 37 ASP H . . 3.880 5.415 5.274 5.477 1.597 16 20 [************-**+****] 1
467 1 19 THR H 1 19 THR MG . . 3.090 2.064 1.947 2.087 . 0 0 "[ . 1 . 2]" 1
468 1 19 THR H 1 26 ALA MB . . 3.670 2.675 2.585 2.732 . 0 0 "[ . 1 . 2]" 1
469 1 18 GLN HB2 1 19 THR H . . 4.550 4.373 4.207 4.413 . 0 0 "[ . 1 . 2]" 1
470 1 18 GLN QG 1 19 THR H . . 4.060 3.772 3.662 3.820 . 0 0 "[ . 1 . 2]" 1
471 1 35 LEU MD1 1 37 ASP H . . 3.960 2.430 2.314 2.487 . 0 0 "[ . 1 . 2]" 1
472 1 18 GLN HA 1 19 THR H . . 2.670 2.153 2.141 2.245 . 0 0 "[ . 1 . 2]" 1
473 1 37 ASP H 1 46 VAL HA . . 4.680 4.043 4.004 4.079 . 0 0 "[ . 1 . 2]" 1
474 1 19 THR H 1 19 THR HB . . 4.030 2.914 2.852 3.146 . 0 0 "[ . 1 . 2]" 1
475 1 18 GLN HB3 1 19 THR H . . 4.550 3.364 3.010 3.450 . 0 0 "[ . 1 . 2]" 1
476 1 57 PRO HB3 1 59 SER H . . 4.640 4.274 4.150 4.312 . 0 0 "[ . 1 . 2]" 1
477 1 59 SER H 1 61 LEU HG . . 5.080 6.129 5.895 6.233 1.153 16 20 [***************+**-*] 1
478 1 57 PRO HB2 1 59 SER H . . 3.870 3.018 2.857 3.063 . 0 0 "[ . 1 . 2]" 1
479 1 59 SER H 1 60 TYR QB . . 5.500 4.817 4.751 4.915 . 0 0 "[ . 1 . 2]" 1
480 1 59 SER H 1 59 SER HB3 . . 3.770 2.815 2.102 3.254 . 0 0 "[ . 1 . 2]" 1
481 1 59 SER H 1 59 SER HB2 . . 3.770 2.485 2.071 3.475 . 0 0 "[ . 1 . 2]" 1
482 1 59 SER H 1 60 TYR HA . . 5.450 5.313 5.287 5.333 . 0 0 "[ . 1 . 2]" 1
483 1 59 SER H 1 60 TYR QD . . 4.390 3.447 3.289 3.621 . 0 0 "[ . 1 . 2]" 1
484 1 59 SER H 1 61 LEU QD . . 4.820 5.131 5.040 5.227 0.407 15 0 "[ . 1 . 2]" 1
485 1 41 ILE MD 1 59 SER H . . 4.690 2.719 2.513 2.808 . 0 0 "[ . 1 . 2]" 1
486 1 59 SER H 1 61 LEU H . . 4.510 4.185 4.087 4.272 . 0 0 "[ . 1 . 2]" 1
487 1 42 HIS HA 1 59 SER H . . 5.500 6.561 6.252 6.671 1.171 13 20 [************+*****-*] 1
488 1 56 VAL H 1 56 VAL QG . . 3.010 2.303 2.244 2.336 . 0 0 "[ . 1 . 2]" 1
489 1 55 TYR QB 1 56 VAL H . . 3.570 2.877 2.812 2.986 . 0 0 "[ . 1 . 2]" 1
490 1 55 TYR HA 1 56 VAL H . . 2.760 2.219 2.189 2.238 . 0 0 "[ . 1 . 2]" 1
491 1 45 ARG H 1 56 VAL H . . 5.350 4.732 4.694 4.776 . 0 0 "[ . 1 . 2]" 1
492 1 55 TYR H 1 56 VAL H . . 5.500 4.535 4.520 4.548 . 0 0 "[ . 1 . 2]" 1
493 1 43 TRP HE3 1 56 VAL H . . 4.370 4.672 4.633 4.709 0.339 13 0 "[ . 1 . 2]" 1
494 1 55 TYR QD 1 56 VAL H . . 4.130 4.066 4.059 4.076 . 0 0 "[ . 1 . 2]" 1
495 1 43 TRP HA 1 56 VAL H . . 4.630 3.926 3.860 4.003 . 0 0 "[ . 1 . 2]" 1
496 1 45 ARG HA 1 56 VAL H . . 4.180 3.777 3.714 3.855 . 0 0 "[ . 1 . 2]" 1
497 1 43 TRP HB2 1 56 VAL H . . 4.510 4.293 4.226 4.364 . 0 0 "[ . 1 . 2]" 1
498 1 44 TRP HB3 1 56 VAL H . . 4.810 4.160 4.116 4.182 . 0 0 "[ . 1 . 2]" 1
499 1 56 VAL H 1 56 VAL HB . . 4.090 3.873 3.844 3.886 . 0 0 "[ . 1 . 2]" 1
500 1 14 LEU QB 1 15 TYR H . . 3.530 2.814 2.740 2.929 . 0 0 "[ . 1 . 2]" 1
501 1 14 LEU HG 1 15 TYR H . . 5.040 3.945 3.880 4.090 . 0 0 "[ . 1 . 2]" 1
502 1 15 TYR H 1 29 ARG QG . . 4.870 4.332 4.067 4.612 . 0 0 "[ . 1 . 2]" 1
503 1 13 ALA MB 1 15 TYR H . . 3.670 3.217 3.123 3.364 . 0 0 "[ . 1 . 2]" 1
504 1 15 TYR H 1 15 TYR HB2 . . 3.500 2.947 2.909 2.967 . 0 0 "[ . 1 . 2]" 1
505 1 15 TYR H 1 60 TYR QB . . 3.660 2.914 2.773 2.992 . 0 0 "[ . 1 . 2]" 1
506 1 15 TYR H 1 29 ARG HA . . 4.030 4.028 3.962 4.044 0.014 16 0 "[ . 1 . 2]" 1
507 1 15 TYR H 1 60 TYR HA . . 4.190 4.380 4.281 4.462 0.272 4 0 "[ . 1 . 2]" 1
508 1 13 ALA HA 1 15 TYR H . . 3.870 3.754 3.663 3.806 . 0 0 "[ . 1 . 2]" 1
509 1 15 TYR H 1 15 TYR QD . . 3.800 3.118 2.953 3.179 . 0 0 "[ . 1 . 2]" 1
510 1 14 LEU H 1 15 TYR H . . 2.990 2.256 2.227 2.308 . 0 0 "[ . 1 . 2]" 1
511 1 15 TYR H 1 16 ASP H . . 4.510 4.373 4.348 4.389 . 0 0 "[ . 1 . 2]" 1
512 1 50 ASN H 1 51 GLY H . . 2.860 1.892 1.887 1.898 . 0 0 "[ . 1 . 2]" 1
513 1 50 ASN HB2 1 51 GLY H . . 3.730 2.976 2.971 2.983 . 0 0 "[ . 1 . 2]" 1
514 1 50 ASN HB3 1 51 GLY H . . 4.190 4.065 4.029 4.085 . 0 0 "[ . 1 . 2]" 1
515 1 51 GLY H 1 52 HIS HB2 . . 4.640 4.318 4.211 4.469 . 0 0 "[ . 1 . 2]" 1
516 1 49 ARG H 1 51 GLY H . . 4.600 4.329 4.232 4.482 . 0 0 "[ . 1 . 2]" 1
517 1 25 LEU QB 1 54 GLY H . . 3.850 3.446 3.399 3.474 . 0 0 "[ . 1 . 2]" 1
518 1 53 GLU HB3 1 54 GLY H . . 3.710 3.063 2.942 3.120 . 0 0 "[ . 1 . 2]" 1
519 1 53 GLU HB2 1 54 GLY H . . 3.960 3.880 3.802 3.934 . 0 0 "[ . 1 . 2]" 1
520 1 53 GLU HG2 1 54 GLY H . . 4.640 4.785 4.591 5.074 0.434 12 0 "[ . 1 . 2]" 1
521 1 47 GLN HA 1 54 GLY H . . 4.010 3.477 3.408 3.543 . 0 0 "[ . 1 . 2]" 1
522 1 53 GLU HA 1 54 GLY H . . 2.830 2.202 2.190 2.233 . 0 0 "[ . 1 . 2]" 1
523 1 46 VAL HA 1 54 GLY H . . 5.190 4.868 4.771 4.920 . 0 0 "[ . 1 . 2]" 1
524 1 54 GLY H 1 55 TYR HA . . 5.500 4.758 4.729 4.784 . 0 0 "[ . 1 . 2]" 1
525 1 48 ASP H 1 54 GLY H . . 5.460 5.001 4.862 5.144 . 0 0 "[ . 1 . 2]" 1
526 1 25 LEU H 1 54 GLY H . . 4.840 5.376 5.342 5.395 0.555 12 20 [*********-*+********] 1
527 1 53 GLU HG3 1 54 GLY H . . 5.430 5.000 4.561 5.341 . 0 0 "[ . 1 . 2]" 1
528 1 45 ARG HB3 1 54 GLY H . . 5.500 5.526 5.373 5.690 0.190 2 0 "[ . 1 . 2]" 1
529 1 45 ARG HA 1 54 GLY H . . 4.300 4.321 4.247 4.391 0.091 20 0 "[ . 1 . 2]" 1
530 1 41 ILE H 1 44 TRP HE1 . . 4.150 3.980 3.898 4.067 . 0 0 "[ . 1 . 2]" 1
531 1 44 TRP HE1 1 58 SER H . . 5.500 5.561 5.546 5.586 0.086 5 0 "[ . 1 . 2]" 1
532 1 43 TRP H 1 43 TRP HE1 . . 5.430 4.796 4.751 4.830 . 0 0 "[ . 1 . 2]" 1
533 1 43 TRP H 1 55 TYR QD . . 5.500 5.559 5.542 5.570 0.070 14 0 "[ . 1 . 2]" 1
534 1 50 ASN QD 1 52 HIS H . . 5.500 4.179 4.092 4.278 . 0 0 "[ . 1 . 2]" 1
535 1 50 ASN QD 1 51 GLY H . . 5.250 3.628 3.562 3.714 . 0 0 "[ . 1 . 2]" 1
536 1 19 THR MG 1 23 GLN H . . 5.500 4.866 4.752 4.954 . 0 0 "[ . 1 . 2]" 1
537 1 41 ILE H 1 42 HIS QB . . 5.500 4.815 4.708 4.946 . 0 0 "[ . 1 . 2]" 1
538 1 48 ASP HB3 1 50 ASN H . . 4.160 3.061 2.146 4.251 0.091 20 0 "[ . 1 . 2]" 1
539 1 27 LEU H 1 27 LEU HG . . 2.950 2.630 2.512 2.727 . 0 0 "[ . 1 . 2]" 1
540 1 41 ILE H 1 44 TRP HZ2 . . 5.500 5.553 5.540 5.565 0.065 8 0 "[ . 1 . 2]" 1
541 1 11 VAL H 1 11 VAL QG . . 3.180 2.111 1.975 2.223 . 0 0 "[ . 1 . 2]" 1
542 1 47 GLN H 1 47 GLN HB3 . . 3.530 2.598 2.558 2.645 . 0 0 "[ . 1 . 2]" 1
543 1 33 TYR HA 1 47 GLN H . . 5.500 4.200 4.086 4.301 . 0 0 "[ . 1 . 2]" 1
544 1 34 CYS HA 1 47 GLN H . . 5.500 4.342 4.268 4.385 . 0 0 "[ . 1 . 2]" 1
545 1 47 GLN H 1 53 GLU HA . . 5.500 4.581 4.456 4.646 . 0 0 "[ . 1 . 2]" 1
546 1 11 VAL H 1 12 ILE H . . 4.610 4.428 4.408 4.441 . 0 0 "[ . 1 . 2]" 1
547 1 53 GLU H 1 53 GLU HG2 . . 3.730 3.663 3.207 4.237 0.507 1 1 "[+ . 1 . 2]" 1
548 1 22 PRO QG 1 24 GLU H . . 4.920 5.163 5.112 5.208 0.288 19 0 "[ . 1 . 2]" 1
549 1 41 ILE HB 1 43 TRP H . . 5.500 6.081 6.048 6.120 0.620 5 20 [****+*******-*******] 1
550 1 7 GLU H 1 8 GLU H . . 4.020 3.563 2.371 4.020 . 0 0 "[ . 1 . 2]" 1
551 1 12 ILE H 1 12 ILE HG13 . . 2.760 2.221 2.169 2.260 . 0 0 "[ . 1 . 2]" 1
552 1 8 GLU H 1 9 THR HB . . 5.470 4.844 4.310 5.163 . 0 0 "[ . 1 . 2]" 1
553 1 47 GLN HA 1 52 HIS H . . 4.950 4.596 4.486 4.700 . 0 0 "[ . 1 . 2]" 1
554 1 17 TYR H 1 26 ALA HA . . 5.500 4.952 4.850 5.063 . 0 0 "[ . 1 . 2]" 1
555 1 63 GLU HA 1 65 SER H . . 5.500 5.340 5.152 5.449 . 0 0 "[ . 1 . 2]" 1
556 1 58 SER H 1 59 SER HA . . 5.470 5.069 4.994 5.145 . 0 0 "[ . 1 . 2]" 1
557 1 41 ILE HA 1 58 SER H . . 5.500 2.941 2.728 3.090 . 0 0 "[ . 1 . 2]" 1
558 1 45 ARG H 1 45 ARG HB2 . . 3.090 2.122 2.102 2.140 . 0 0 "[ . 1 . 2]" 1
559 1 19 THR H 1 26 ALA H . . 5.500 5.130 5.048 5.228 . 0 0 "[ . 1 . 2]" 1
560 1 63 GLU HB2 1 64 LYS H . . 4.490 4.552 4.486 4.572 0.082 16 0 "[ . 1 . 2]" 1
561 1 9 THR MG 1 64 LYS H . . 4.110 3.595 3.525 3.700 . 0 0 "[ . 1 . 2]" 1
562 1 12 ILE H 1 64 LYS H . . 4.220 3.867 3.717 3.992 . 0 0 "[ . 1 . 2]" 1
563 1 11 VAL QG 1 36 LEU H . . 5.500 4.791 4.627 4.940 . 0 0 "[ . 1 . 2]" 1
564 1 9 THR HB 1 35 LEU HB3 . . 3.920 2.640 2.511 2.877 . 0 0 "[ . 1 . 2]" 1
565 1 8 GLU QG 1 9 THR HB . . 5.500 4.601 3.085 5.526 0.026 13 0 "[ . 1 . 2]" 1
566 1 9 THR HB 1 63 GLU HG2 . . 5.500 4.452 3.982 5.092 . 0 0 "[ . 1 . 2]" 1
567 1 9 THR HB 1 63 GLU HG3 . . 5.500 5.196 4.666 5.502 0.002 10 0 "[ . 1 . 2]" 1
568 1 19 THR HB 1 24 GLU HB2 . . 4.920 2.297 2.157 2.343 . 0 0 "[ . 1 . 2]" 1
569 1 9 THR HB 1 11 VAL QG . . 4.610 4.287 4.184 4.546 . 0 0 "[ . 1 . 2]" 1
570 1 9 THR HB 1 35 LEU MD2 . . 5.500 4.695 4.511 4.955 . 0 0 "[ . 1 . 2]" 1
571 1 19 THR HB 1 24 GLU HB3 . . 5.310 3.441 3.292 3.477 . 0 0 "[ . 1 . 2]" 1
572 1 18 GLN HA 1 19 THR HB . . 4.840 4.657 4.625 4.672 . 0 0 "[ . 1 . 2]" 1
573 1 19 THR HB 1 26 ALA HA . . 4.760 4.229 4.168 4.375 . 0 0 "[ . 1 . 2]" 1
574 1 40 GLU HA 1 41 ILE HA . . 4.620 4.294 4.293 4.296 . 0 0 "[ . 1 . 2]" 1
575 1 41 ILE HA 1 42 HIS HA . . 5.300 4.880 4.873 4.885 . 0 0 "[ . 1 . 2]" 1
576 1 43 TRP HA 1 57 PRO HA . . 3.870 3.701 3.520 3.782 . 0 0 "[ . 1 . 2]" 1
577 1 56 VAL HA 1 57 PRO HA . . 4.410 4.390 4.389 4.392 . 0 0 "[ . 1 . 2]" 1
578 1 41 ILE QG 1 57 PRO HA . . 5.500 3.894 3.738 4.201 . 0 0 "[ . 1 . 2]" 1
579 1 56 VAL HB 1 57 PRO HA . . 5.380 4.775 4.762 4.803 . 0 0 "[ . 1 . 2]" 1
580 1 57 PRO HA 1 58 SER HA . . 4.950 4.379 4.369 4.400 . 0 0 "[ . 1 . 2]" 1
581 1 41 ILE MD 1 57 PRO HA . . 5.500 4.810 3.838 5.150 . 0 0 "[ . 1 . 2]" 1
582 1 57 PRO HA 1 61 LEU QD . . 5.500 4.675 4.558 4.835 . 0 0 "[ . 1 . 2]" 1
583 1 57 PRO HA 1 60 TYR QD . . 4.880 4.605 4.488 4.631 . 0 0 "[ . 1 . 2]" 1
584 1 17 TYR QD 1 19 THR HA . . 5.500 4.960 4.896 5.121 . 0 0 "[ . 1 . 2]" 1
585 1 46 VAL HA 1 46 VAL MG1 . . 3.680 2.317 2.308 2.325 . 0 0 "[ . 1 . 2]" 1
586 1 46 VAL HA 1 46 VAL MG2 . . 3.680 3.200 3.199 3.201 . 0 0 "[ . 1 . 2]" 1
587 1 12 ILE HA 1 12 ILE MG . . 3.310 2.270 2.192 2.309 . 0 0 "[ . 1 . 2]" 1
588 1 12 ILE HA 1 12 ILE HG13 . . 3.780 3.332 3.288 3.367 . 0 0 "[ . 1 . 2]" 1
589 1 12 ILE HA 1 12 ILE HG12 . . 3.900 2.703 2.671 2.727 . 0 0 "[ . 1 . 2]" 1
590 1 55 TYR HA 1 56 VAL QG . . 3.910 3.140 3.115 3.176 . 0 0 "[ . 1 . 2]" 1
591 1 45 ARG HB2 1 55 TYR HA . . 5.160 4.838 4.743 4.987 . 0 0 "[ . 1 . 2]" 1
592 1 45 ARG HB3 1 55 TYR HA . . 5.500 5.200 5.069 5.278 . 0 0 "[ . 1 . 2]" 1
593 1 14 LEU MD2 1 60 TYR HA . . 5.120 4.399 4.377 4.423 . 0 0 "[ . 1 . 2]" 1
594 1 35 LEU HA 1 46 VAL HA . . 3.740 2.556 2.483 2.603 . 0 0 "[ . 1 . 2]" 1
595 1 55 TYR HA 1 55 TYR QE . . 5.000 4.696 4.675 4.707 . 0 0 "[ . 1 . 2]" 1
596 1 12 ILE HA 1 33 TYR QD . . 4.350 3.766 3.597 3.923 . 0 0 "[ . 1 . 2]" 1
597 1 59 SER HA 1 61 LEU QD . . 5.030 6.119 6.031 6.190 1.160 19 20 [*******-**********+*] 1
598 1 58 SER HA 1 61 LEU QD . . 3.830 2.721 2.577 2.799 . 0 0 "[ . 1 . 2]" 1
599 1 58 SER HA 1 61 LEU HG . . 4.370 4.023 3.761 4.102 . 0 0 "[ . 1 . 2]" 1
600 1 18 GLN QG 1 19 THR HA . . 4.500 5.791 5.695 5.843 1.343 5 20 [**-*+***************] 1
601 1 19 THR HA 1 26 ALA MB . . 5.470 5.101 5.035 5.163 . 0 0 "[ . 1 . 2]" 1
602 1 11 VAL QG 1 63 GLU HA . . 3.150 2.382 2.286 2.485 . 0 0 "[ . 1 . 2]" 1
603 1 14 LEU QB 1 60 TYR HA . . 4.110 2.896 2.716 2.991 . 0 0 "[ . 1 . 2]" 1
604 1 56 VAL HA 1 57 PRO HD2 . . 3.730 2.418 2.373 2.431 . 0 0 "[ . 1 . 2]" 1
605 1 36 LEU HB2 1 46 VAL HA . . 5.060 3.534 3.198 3.760 . 0 0 "[ . 1 . 2]" 1
606 1 35 LEU HB2 1 46 VAL HA . . 5.430 5.154 5.067 5.207 . 0 0 "[ . 1 . 2]" 1
607 1 45 ARG HB3 1 46 VAL HA . . 5.500 4.237 4.199 4.275 . 0 0 "[ . 1 . 2]" 1
608 1 49 ARG HA 1 49 ARG HG3 . . 4.150 3.709 2.630 4.139 . 0 0 "[ . 1 . 2]" 1
609 1 41 ILE MG 1 42 HIS HA . . 4.250 3.244 3.043 3.435 . 0 0 "[ . 1 . 2]" 1
610 1 9 THR MG 1 63 GLU HA . . 4.310 3.456 3.333 3.581 . 0 0 "[ . 1 . 2]" 1
611 1 12 ILE MD 1 64 LYS HA . . 3.190 2.745 2.466 3.011 . 0 0 "[ . 1 . 2]" 1
612 1 63 GLU HA 1 64 LYS HB3 . . 4.880 4.686 4.519 4.838 . 0 0 "[ . 1 . 2]" 1
613 1 11 VAL HA 1 63 GLU HA . . 3.160 2.689 2.400 2.926 . 0 0 "[ . 1 . 2]" 1
614 1 56 VAL HA 1 57 PRO HD3 . . 3.300 2.307 2.289 2.312 . 0 0 "[ . 1 . 2]" 1
615 1 49 ARG HA 1 49 ARG QD . . 4.290 3.923 1.992 4.291 0.001 10 0 "[ . 1 . 2]" 1
616 1 17 TYR HA 1 27 LEU HB2 . . 5.060 4.207 4.164 4.239 . 0 0 "[ . 1 . 2]" 1
617 1 34 CYS HA 1 47 GLN HB3 . . 5.480 4.792 4.625 4.876 . 0 0 "[ . 1 . 2]" 1
618 1 17 TYR HE2 1 56 VAL HA . . 3.940 3.101 2.890 3.278 . 0 0 "[ . 1 . 2]" 1
619 1 17 TYR HA 1 17 TYR HE1 . . 5.250 4.835 4.803 4.919 . 0 0 "[ . 1 . 2]" 1
620 1 17 TYR HA 1 60 TYR QE . . 4.090 5.429 5.205 5.687 1.597 6 20 [*****+**********-***] 1
621 1 17 TYR HA 1 17 TYR QD . . 3.340 2.619 2.550 2.748 . 0 0 "[ . 1 . 2]" 1
622 1 17 TYR QD 1 56 VAL HA . . 4.680 3.962 3.801 4.086 . 0 0 "[ . 1 . 2]" 1
623 1 60 TYR HA 1 60 TYR QD . . 4.480 3.176 3.125 3.200 . 0 0 "[ . 1 . 2]" 1
624 1 11 VAL HA 1 64 LYS HB2 . . 4.570 3.379 2.956 3.790 . 0 0 "[ . 1 . 2]" 1
625 1 11 VAL HA 1 61 LEU QD . . 4.620 3.820 3.771 3.904 . 0 0 "[ . 1 . 2]" 1
626 1 29 ARG HA 1 29 ARG QG . . 3.270 2.297 2.161 2.454 . 0 0 "[ . 1 . 2]" 1
627 1 13 ALA MB 1 29 ARG HA . . 3.120 2.846 2.628 2.984 . 0 0 "[ . 1 . 2]" 1
628 1 15 TYR HA 1 29 ARG HA . . 4.330 3.479 3.371 3.585 . 0 0 "[ . 1 . 2]" 1
629 1 33 TYR HA 1 46 VAL HB . . 4.500 4.189 4.111 4.270 . 0 0 "[ . 1 . 2]" 1
630 1 33 TYR HA 1 46 VAL MG1 . . 5.430 5.179 5.108 5.224 . 0 0 "[ . 1 . 2]" 1
631 1 33 TYR HA 1 46 VAL MG2 . . 5.430 4.377 4.234 4.495 . 0 0 "[ . 1 . 2]" 1
632 1 9 THR MG 1 64 LYS HA . . 5.500 5.516 5.506 5.530 0.030 11 0 "[ . 1 . 2]" 1
633 1 64 LYS HA 1 64 LYS QD . . 3.610 3.457 3.302 3.618 0.008 19 0 "[ . 1 . 2]" 1
634 1 33 TYR HA 1 48 ASP HA . . 3.680 3.251 3.170 3.394 . 0 0 "[ . 1 . 2]" 1
635 1 33 TYR HA 1 33 TYR QD . . 3.920 2.894 2.802 2.966 . 0 0 "[ . 1 . 2]" 1
636 1 33 TYR HA 1 33 TYR QE . . 5.430 4.613 4.570 4.640 . 0 0 "[ . 1 . 2]" 1
637 1 23 GLN HA 1 23 GLN QG . . 3.420 2.417 2.231 2.775 . 0 0 "[ . 1 . 2]" 1
638 1 12 ILE HG13 1 64 LYS HA . . 4.670 3.231 2.954 3.494 . 0 0 "[ . 1 . 2]" 1
639 1 12 ILE MG 1 30 ASN HA . . 3.490 3.280 3.067 3.418 . 0 0 "[ . 1 . 2]" 1
640 1 38 SER HA 1 44 TRP HB2 . . 5.130 5.095 4.971 5.233 0.103 12 0 "[ . 1 . 2]" 1
641 1 14 LEU HA 1 29 ARG QG . . 4.360 3.939 3.794 4.097 . 0 0 "[ . 1 . 2]" 1
642 1 36 LEU HA 1 36 LEU MD2 . . 4.260 2.789 2.390 3.271 . 0 0 "[ . 1 . 2]" 1
643 1 43 TRP HA 1 43 TRP HE3 . . 3.790 4.203 4.175 4.211 0.421 3 0 "[ . 1 . 2]" 1
644 1 40 GLU HA 1 40 GLU HG2 . . 3.660 3.254 3.047 3.401 . 0 0 "[ . 1 . 2]" 1
645 1 45 ARG HA 1 55 TYR HA . . 3.200 2.467 2.382 2.554 . 0 0 "[ . 1 . 2]" 1
646 1 24 GLU HA 1 24 GLU QG . . 3.920 2.749 2.584 3.202 . 0 0 "[ . 1 . 2]" 1
647 1 32 GLU HA 1 32 GLU HG3 . . 3.710 2.292 2.140 2.417 . 0 0 "[ . 1 . 2]" 1
648 1 32 GLU HA 1 32 GLU HG2 . . 3.710 3.045 2.743 3.469 . 0 0 "[ . 1 . 2]" 1
649 1 12 ILE MG 1 32 GLU HA . . 4.060 3.416 3.280 3.566 . 0 0 "[ . 1 . 2]" 1
650 1 45 ARG HA 1 45 ARG HG2 . . 3.900 2.156 2.056 2.256 . 0 0 "[ . 1 . 2]" 1
651 1 45 ARG HA 1 45 ARG HG3 . . 3.900 3.078 2.770 3.512 . 0 0 "[ . 1 . 2]" 1
652 1 35 LEU HA 1 35 LEU MD1 . . 3.770 2.666 2.465 2.705 . 0 0 "[ . 1 . 2]" 1
653 1 45 ARG HA 1 45 ARG QD . . 4.010 3.521 2.750 3.899 . 0 0 "[ . 1 . 2]" 1
654 1 12 ILE HG13 1 32 GLU HA . . 4.430 4.905 4.839 4.975 0.545 17 6 "[ . **- * +* 2]" 1
655 1 19 THR MG 1 24 GLU HA . . 4.620 4.515 4.425 4.582 . 0 0 "[ . 1 . 2]" 1
656 1 40 GLU HA 1 40 GLU HG3 . . 3.660 2.141 2.036 2.344 . 0 0 "[ . 1 . 2]" 1
657 1 35 LEU HA 1 35 LEU MD2 . . 3.770 2.011 1.955 2.106 . 0 0 "[ . 1 . 2]" 1
658 1 45 ARG HA 1 56 VAL QG . . 4.770 3.728 3.694 3.811 . 0 0 "[ . 1 . 2]" 1
659 1 24 GLU HA 1 25 LEU QB . . 4.350 3.972 3.960 3.985 . 0 0 "[ . 1 . 2]" 1
660 1 18 GLN HA 1 18 GLN QG . . 3.570 2.234 2.165 2.303 . 0 0 "[ . 1 . 2]" 1
661 1 36 LEU HA 1 36 LEU HG . . 3.800 2.742 2.344 3.005 . 0 0 "[ . 1 . 2]" 1
662 1 53 GLU HA 1 53 GLU HG2 . . 3.670 3.025 2.593 3.628 . 0 0 "[ . 1 . 2]" 1
663 1 18 GLN HA 1 19 THR MG . . 4.230 3.710 3.624 3.736 . 0 0 "[ . 1 . 2]" 1
664 1 53 GLU HA 1 53 GLU HG3 . . 3.980 3.092 2.571 3.545 . 0 0 "[ . 1 . 2]" 1
665 1 28 ARG HA 1 28 ARG QD . . 3.920 2.319 1.996 3.111 . 0 0 "[ . 1 . 2]" 1
666 1 47 GLN HA 1 47 GLN HG3 . . 3.950 2.608 2.536 3.363 . 0 0 "[ . 1 . 2]" 1
667 1 18 GLN HA 1 26 ALA MB . . 3.420 2.122 2.033 2.215 . 0 0 "[ . 1 . 2]" 1
668 1 19 THR MG 1 25 LEU HA . . 3.980 3.008 2.763 3.110 . 0 0 "[ . 1 . 2]" 1
669 1 25 LEU HA 1 25 LEU HG . . 3.790 2.637 2.613 2.666 . 0 0 "[ . 1 . 2]" 1
670 1 11 VAL HB 1 61 LEU HA . . 4.540 3.689 3.582 3.752 . 0 0 "[ . 1 . 2]" 1
671 1 11 VAL QG 1 61 LEU HA . . 4.640 4.051 3.995 4.096 . 0 0 "[ . 1 . 2]" 1
672 1 28 ARG HA 1 31 GLU QB . . 5.280 4.355 4.276 4.485 . 0 0 "[ . 1 . 2]" 1
673 1 38 SER HA 1 44 TRP HA . . 4.010 3.010 2.953 3.075 . 0 0 "[ . 1 . 2]" 1
674 1 34 CYS HB2 1 47 GLN HA . . 5.500 4.982 4.624 6.291 0.791 12 1 "[ . 1 + . 2]" 1
675 1 34 CYS HB3 1 47 GLN HA . . 5.500 5.615 4.702 6.470 0.970 11 5 "[ * *. 1+ - . *2]" 1
676 1 47 GLN HA 1 53 GLU HB3 . . 5.270 3.587 3.416 3.707 . 0 0 "[ . 1 . 2]" 1
677 1 25 LEU QB 1 53 GLU HA . . 4.620 4.848 4.733 4.938 0.318 17 0 "[ . 1 . 2]" 1
678 1 44 TRP HA 1 45 ARG HA . . 4.570 4.392 4.387 4.399 . 0 0 "[ . 1 . 2]" 1
679 1 44 TRP HA 1 55 TYR QD . . 4.630 4.670 4.664 4.684 0.054 19 0 "[ . 1 . 2]" 1
680 1 44 TRP HA 1 55 TYR QE . . 4.780 5.798 5.765 5.813 1.033 1 20 [+******************-] 1
681 1 33 TYR QD 1 48 ASP HA . . 3.370 2.344 2.247 2.422 . 0 0 "[ . 1 . 2]" 1
682 1 44 TRP HA 1 45 ARG HB3 . . 5.500 5.384 5.314 5.460 . 0 0 "[ . 1 . 2]" 1
683 1 26 ALA MB 1 27 LEU HA . . 4.320 4.100 4.068 4.141 . 0 0 "[ . 1 . 2]" 1
684 1 27 LEU HA 1 61 LEU QD . . 5.500 4.597 4.496 4.671 . 0 0 "[ . 1 . 2]" 1
685 1 27 LEU HA 1 56 VAL QG . . 5.180 3.733 3.678 3.789 . 0 0 "[ . 1 . 2]" 1
686 1 26 ALA HA 1 56 VAL QG . . 3.620 3.171 3.057 3.255 . 0 0 "[ . 1 . 2]" 1
687 1 19 THR MG 1 20 ASN HA . . 4.420 4.217 4.165 4.390 . 0 0 "[ . 1 . 2]" 1
688 1 47 GLN HA 1 53 GLU HG2 . . 3.480 3.367 2.797 4.231 0.751 12 1 "[ . 1 + . 2]" 1
689 1 21 ASP HA 1 22 PRO QG . . 3.880 4.068 4.066 4.070 0.190 1 0 "[ . 1 . 2]" 1
690 1 13 ALA HA 1 61 LEU HA . . 3.470 2.936 2.894 2.988 . 0 0 "[ . 1 . 2]" 1
691 1 17 TYR QB 1 26 ALA HA . . 5.080 3.402 3.337 3.581 . 0 0 "[ . 1 . 2]" 1
692 1 13 ALA HA 1 61 LEU QD . . 5.240 2.076 1.975 2.197 . 0 0 "[ . 1 . 2]" 1
693 1 11 VAL QG 1 13 ALA HA . . 5.150 4.739 4.627 4.927 . 0 0 "[ . 1 . 2]" 1
694 1 13 ALA HA 1 14 LEU HG . . 5.110 3.605 3.503 3.666 . 0 0 "[ . 1 . 2]" 1
695 1 21 ASP HA 1 22 PRO HD3 . . 3.190 2.344 2.342 2.345 . 0 0 "[ . 1 . 2]" 1
696 1 21 ASP HA 1 22 PRO HD2 . . 3.190 2.504 2.501 2.507 . 0 0 "[ . 1 . 2]" 1
697 1 11 VAL QG 1 61 LEU QB . . 3.720 2.482 2.410 2.522 . 0 0 "[ . 1 . 2]" 1
698 1 27 LEU HB2 1 57 PRO HG2 . . 4.920 5.204 5.139 5.346 0.426 19 0 "[ . 1 . 2]" 1
699 1 17 TYR QB 1 27 LEU HB2 . . 4.180 1.958 1.951 1.976 . 0 0 "[ . 1 . 2]" 1
700 1 37 ASP QB 1 45 ARG HB2 . . 4.030 1.947 1.911 1.981 . 0 0 "[ . 1 . 2]" 1
701 1 37 ASP QB 1 45 ARG QD . . 3.980 3.041 2.517 3.882 . 0 0 "[ . 1 . 2]" 1
702 1 9 THR HB 1 35 LEU HB2 . . 4.650 3.368 3.147 3.671 . 0 0 "[ . 1 . 2]" 1
703 1 11 VAL QG 1 35 LEU HB3 . . 4.110 3.695 3.542 3.912 . 0 0 "[ . 1 . 2]" 1
704 1 17 TYR QB 1 60 TYR QD . . 3.920 3.998 3.845 4.224 0.304 6 0 "[ . 1 . 2]" 1
705 1 11 VAL QG 1 33 TYR HB2 . . 4.220 1.918 1.887 2.010 . 0 0 "[ . 1 . 2]" 1
706 1 11 VAL QG 1 33 TYR HB3 . . 4.500 3.101 3.004 3.212 . 0 0 "[ . 1 . 2]" 1
707 1 17 TYR QB 1 57 PRO HG2 . . 4.020 3.367 3.310 3.473 . 0 0 "[ . 1 . 2]" 1
708 1 12 ILE HB 1 12 ILE MD . . 3.430 2.439 2.393 2.467 . 0 0 "[ . 1 . 2]" 1
709 1 33 TYR HB3 1 46 VAL MG2 . . 4.220 2.394 2.273 2.488 . 0 0 "[ . 1 . 2]" 1
710 1 11 VAL HA 1 12 ILE HB . . 5.500 4.911 4.869 4.949 . 0 0 "[ . 1 . 2]" 1
711 1 41 ILE HB 1 41 ILE MD . . 2.850 2.617 2.372 3.158 0.308 19 0 "[ . 1 . 2]" 1
712 1 41 ILE HA 1 41 ILE MD . . 4.330 3.664 3.349 3.776 . 0 0 "[ . 1 . 2]" 1
713 1 12 ILE HA 1 12 ILE MD . . 4.060 3.876 3.866 3.886 . 0 0 "[ . 1 . 2]" 1
714 1 12 ILE MD 1 64 LYS QE . . 3.960 3.750 3.330 3.963 0.003 14 0 "[ . 1 . 2]" 1
715 1 41 ILE MD 1 41 ILE MG . . 3.270 1.914 1.807 2.047 . 0 0 "[ . 1 . 2]" 1
716 1 41 ILE HA 1 41 ILE MG . . 3.560 3.196 3.183 3.201 . 0 0 "[ . 1 . 2]" 1
717 1 41 ILE MG 1 58 SER H . . 4.280 4.835 4.787 4.912 0.632 5 20 [****+********-******] 1
718 1 12 ILE HG12 1 12 ILE MG . . 3.500 2.356 2.327 2.401 . 0 0 "[ . 1 . 2]" 1
719 1 12 ILE HG13 1 12 ILE MG . . 3.380 3.197 3.188 3.203 . 0 0 "[ . 1 . 2]" 1
720 1 12 ILE MG 1 13 ALA HA . . 4.470 4.256 4.186 4.343 . 0 0 "[ . 1 . 2]" 1
721 1 12 ILE MG 1 31 GLU QB . . 5.020 4.432 4.325 4.639 . 0 0 "[ . 1 . 2]" 1
722 1 17 TYR HE2 1 19 THR MG . . 3.720 3.821 3.720 3.926 0.206 20 0 "[ . 1 . 2]" 1
723 1 19 THR MG 1 24 GLU HB2 . . 3.220 2.937 2.838 3.014 . 0 0 "[ . 1 . 2]" 1
724 1 19 THR MG 1 26 ALA MB . . 3.350 2.930 2.854 3.016 . 0 0 "[ . 1 . 2]" 1
725 1 13 ALA MB 1 27 LEU QD . . 4.190 2.475 2.308 2.641 . 0 0 "[ . 1 . 2]" 1
726 1 13 ALA MB 1 27 LEU HB3 . . 3.430 1.963 1.947 1.994 . 0 0 "[ . 1 . 2]" 1
727 1 19 THR HA 1 19 THR MG . . 3.590 3.196 3.182 3.200 . 0 0 "[ . 1 . 2]" 1
728 1 19 THR MG 1 26 ALA HA . . 3.690 3.535 3.469 3.615 . 0 0 "[ . 1 . 2]" 1
729 1 12 ILE MG 1 13 ALA MB . . 3.950 3.590 3.536 3.659 . 0 0 "[ . 1 . 2]" 1
730 1 11 VAL QG 1 13 ALA MB . . 5.130 4.587 4.496 4.758 . 0 0 "[ . 1 . 2]" 1
731 1 62 VAL HA 1 62 VAL MG1 . . 3.750 2.826 2.352 3.188 . 0 0 "[ . 1 . 2]" 1
732 1 62 VAL HA 1 62 VAL MG2 . . 3.750 2.294 2.144 2.382 . 0 0 "[ . 1 . 2]" 1
733 1 9 THR HA 1 9 THR MG . . 3.370 2.247 2.204 2.329 . 0 0 "[ . 1 . 2]" 1
734 1 27 LEU QD 1 56 VAL QG . . 2.890 1.781 1.712 1.892 . 0 0 "[ . 1 . 2]" 1
735 1 27 LEU QD 1 56 VAL HB . . 3.550 2.076 1.898 2.223 . 0 0 "[ . 1 . 2]" 1
736 1 27 LEU HA 1 27 LEU QD . . 3.270 2.317 1.981 2.490 . 0 0 "[ . 1 . 2]" 1
737 1 36 LEU HA 1 36 LEU MD1 . . 4.260 3.836 3.524 3.978 . 0 0 "[ . 1 . 2]" 1
738 1 10 VAL HA 1 10 VAL MG1 . . 3.490 2.241 2.205 2.269 . 0 0 "[ . 1 . 2]" 1
739 1 10 VAL HA 1 10 VAL MG2 . . 3.490 2.444 2.425 2.459 . 0 0 "[ . 1 . 2]" 1
740 1 11 VAL QG 1 61 LEU QD . . 2.770 1.694 1.657 1.781 . 0 0 "[ . 1 . 2]" 1
741 1 27 LEU QD 1 61 LEU QD . . 3.560 1.804 1.707 1.879 . 0 0 "[ . 1 . 2]" 1
742 1 14 LEU HA 1 14 LEU MD2 . . 3.930 2.172 2.010 2.528 . 0 0 "[ . 1 . 2]" 1
743 1 27 LEU QD 1 33 TYR QE . . 4.040 2.766 2.471 2.943 . 0 0 "[ . 1 . 2]" 1
744 1 27 LEU QD 1 33 TYR QD . . 4.460 2.970 2.683 3.146 . 0 0 "[ . 1 . 2]" 1
745 1 11 VAL HB 1 61 LEU QD . . 2.910 2.066 1.960 2.250 . 0 0 "[ . 1 . 2]" 1
746 1 14 LEU MD2 1 62 VAL HB . . 3.600 2.272 1.946 2.612 . 0 0 "[ . 1 . 2]" 1
747 1 11 VAL HA 1 11 VAL QG . . 2.970 2.262 2.212 2.313 . 0 0 "[ . 1 . 2]" 1
748 1 11 VAL QG 1 35 LEU HB2 . . 3.660 2.365 2.184 2.633 . 0 0 "[ . 1 . 2]" 1
749 1 44 TRP HB3 1 61 LEU QD . . 4.190 3.205 3.078 3.270 . 0 0 "[ . 1 . 2]" 1
750 1 11 VAL QG 1 44 TRP HZ3 . . 3.320 1.907 1.873 1.934 . 0 0 "[ . 1 . 2]" 1
751 1 11 VAL QG 1 44 TRP HE3 . . 4.230 2.456 2.351 2.531 . 0 0 "[ . 1 . 2]" 1
752 1 25 LEU QB 1 56 VAL QG . . 3.510 2.367 2.298 2.427 . 0 0 "[ . 1 . 2]" 1
753 1 56 VAL HA 1 56 VAL QG . . 3.170 2.134 2.079 2.195 . 0 0 "[ . 1 . 2]" 1
754 1 11 VAL QG 1 35 LEU MD2 . . 4.200 1.769 1.678 1.838 . 0 0 "[ . 1 . 2]" 1
755 1 35 LEU MD2 1 38 SER QB . . 3.680 3.033 2.861 3.802 0.122 6 0 "[ . 1 . 2]" 1
756 1 25 LEU MD1 1 52 HIS HB3 . . 4.280 3.368 3.184 3.672 . 0 0 "[ . 1 . 2]" 1
757 1 25 LEU MD2 1 52 HIS HB3 . . 4.280 3.214 2.982 3.583 . 0 0 "[ . 1 . 2]" 1
758 1 25 LEU MD1 1 52 HIS HB2 . . 4.410 4.081 3.830 4.203 . 0 0 "[ . 1 . 2]" 1
759 1 25 LEU MD2 1 52 HIS HB2 . . 4.410 2.996 2.843 3.166 . 0 0 "[ . 1 . 2]" 1
760 1 11 VAL QG 1 35 LEU MD1 . . 4.200 3.673 3.554 3.810 . 0 0 "[ . 1 . 2]" 1
761 1 14 LEU MD1 1 62 VAL HB . . 3.600 3.561 2.903 4.094 0.494 5 0 "[ . 1 . 2]" 1
762 1 35 LEU MD1 1 38 SER QB . . 3.680 1.990 1.951 2.063 . 0 0 "[ . 1 . 2]" 1
763 1 9 THR HB 1 35 LEU MD1 . . 5.500 3.915 3.785 4.137 . 0 0 "[ . 1 . 2]" 1
764 1 35 LEU MD1 1 38 SER HA . . 4.680 3.372 3.159 3.462 . 0 0 "[ . 1 . 2]" 1
765 1 14 LEU MD1 1 60 TYR HA . . 5.120 2.246 1.898 2.654 . 0 0 "[ . 1 . 2]" 1
766 1 14 LEU HA 1 14 LEU MD1 . . 3.930 3.910 3.865 3.980 0.050 18 0 "[ . 1 . 2]" 1
767 1 27 LEU HG 1 61 LEU HG . . 5.500 4.780 4.479 4.915 . 0 0 "[ . 1 . 2]" 1
768 1 17 TYR HE1 1 57 PRO HG2 . . 4.920 4.655 4.493 4.682 . 0 0 "[ . 1 . 2]" 1
769 1 57 PRO HG2 1 60 TYR QE . . 4.540 4.358 3.683 4.455 . 0 0 "[ . 1 . 2]" 1
770 1 27 LEU QD 1 57 PRO HG2 . . 3.230 2.470 2.212 2.892 . 0 0 "[ . 1 . 2]" 1
771 1 44 TRP HB2 1 61 LEU QD . . 4.020 3.208 3.077 3.278 . 0 0 "[ . 1 . 2]" 1
772 1 44 TRP HA 1 61 LEU QD . . 5.500 5.285 5.177 5.352 . 0 0 "[ . 1 . 2]" 1
773 1 44 TRP HE3 1 61 LEU QD . . 3.520 2.516 2.322 2.611 . 0 0 "[ . 1 . 2]" 1
774 1 56 VAL QG 1 61 LEU QD . . 3.190 1.851 1.753 1.927 . 0 0 "[ . 1 . 2]" 1
775 1 33 TYR QD 1 61 LEU QD . . 4.700 2.504 2.272 2.667 . 0 0 "[ . 1 . 2]" 1
776 1 44 TRP HZ3 1 61 LEU QD . . 5.070 3.786 3.605 3.917 . 0 0 "[ . 1 . 2]" 1
777 1 64 LYS HB2 1 64 LYS QD . . 3.240 2.951 2.033 3.253 0.013 19 0 "[ . 1 . 2]" 1
778 1 12 ILE MD 1 64 LYS QD . . 4.270 3.646 2.092 4.262 . 0 0 "[ . 1 . 2]" 1
779 1 31 GLU QB 1 33 TYR QE . . 4.400 2.395 2.299 2.494 . 0 0 "[ . 1 . 2]" 1
780 1 11 VAL QG 1 63 GLU HB2 . . 4.240 4.284 4.066 4.472 0.232 12 0 "[ . 1 . 2]" 1
781 1 12 ILE MG 1 32 GLU QB . . 4.800 4.384 4.200 4.519 . 0 0 "[ . 1 . 2]" 1
782 1 44 TRP HB2 1 56 VAL QG . . 4.450 2.924 2.871 2.958 . 0 0 "[ . 1 . 2]" 1
783 1 44 TRP HB2 1 46 VAL MG1 . . 5.500 3.834 3.769 3.900 . 0 0 "[ . 1 . 2]" 1
784 1 28 ARG HB2 1 31 GLU QB . . 4.800 3.121 2.368 3.939 . 0 0 "[ . 1 . 2]" 1
785 1 28 ARG HB3 1 31 GLU QB . . 4.800 2.650 2.171 3.280 . 0 0 "[ . 1 . 2]" 1
786 1 37 ASP QB 1 45 ARG HB3 . . 4.220 2.464 2.283 2.611 . 0 0 "[ . 1 . 2]" 1
787 1 10 VAL HB 1 64 LYS QD . . 4.270 2.965 2.656 3.475 . 0 0 "[ . 1 . 2]" 1
788 1 10 VAL HB 1 64 LYS HB3 . . 3.990 2.161 2.092 2.224 . 0 0 "[ . 1 . 2]" 1
789 1 56 VAL HB 1 57 PRO HD2 . . 3.540 1.996 1.975 2.097 . 0 0 "[ . 1 . 2]" 1
790 1 19 THR MG 1 24 GLU HB3 . . 4.370 4.136 4.057 4.186 . 0 0 "[ . 1 . 2]" 1
791 1 56 VAL HB 1 61 LEU QD . . 3.650 2.834 2.711 2.967 . 0 0 "[ . 1 . 2]" 1
792 1 56 VAL HB 1 57 PRO HD3 . . 3.520 3.447 3.429 3.534 0.014 19 0 "[ . 1 . 2]" 1
793 1 10 VAL HB 1 64 LYS HB2 . . 3.810 3.187 3.035 3.385 . 0 0 "[ . 1 . 2]" 1
794 1 12 ILE MD 1 64 LYS HB3 . . 4.600 4.175 3.920 4.337 . 0 0 "[ . 1 . 2]" 1
795 1 11 VAL QG 1 64 LYS HB3 . . 5.440 4.862 4.675 5.098 . 0 0 "[ . 1 . 2]" 1
796 1 64 LYS HB3 1 64 LYS QD . . 3.330 2.293 1.991 2.936 . 0 0 "[ . 1 . 2]" 1
797 1 56 VAL HB 1 57 PRO HB3 . . 5.500 5.375 5.356 5.442 . 0 0 "[ . 1 . 2]" 1
798 1 56 VAL HB 1 61 LEU HG . . 5.500 4.150 3.941 4.240 . 0 0 "[ . 1 . 2]" 1
799 1 47 GLN HB2 1 53 GLU HG2 . . 3.360 2.120 1.994 2.470 . 0 0 "[ . 1 . 2]" 1
800 1 34 CYS HB3 1 47 GLN HB2 . . 4.550 4.325 3.666 5.208 0.658 11 2 "[ - . 1+ . 2]" 1
801 1 11 VAL HB 1 61 LEU QB . . 3.810 1.987 1.980 2.024 . 0 0 "[ . 1 . 2]" 1
802 1 33 TYR HB3 1 46 VAL HB . . 3.610 2.022 1.997 2.106 . 0 0 "[ . 1 . 2]" 1
803 1 12 ILE MG 1 32 GLU HG3 . . 5.350 2.783 2.416 3.177 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU HA 1 46 VAL HB . . 4.770 3.248 3.199 3.309 . 0 0 "[ . 1 . 2]" 1
805 1 12 ILE MG 1 32 GLU HG2 . . 5.350 4.009 3.607 4.477 . 0 0 "[ . 1 . 2]" 1
806 1 11 VAL QG 1 46 VAL HB . . 4.290 3.140 3.023 3.279 . 0 0 "[ . 1 . 2]" 1
807 1 57 PRO HG2 1 60 TYR QB . . 4.010 2.402 2.232 2.765 . 0 0 "[ . 1 . 2]" 1
808 1 49 ARG HA 1 50 ASN QD . . 5.500 4.477 4.340 4.587 . 0 0 "[ . 1 . 2]" 1
809 1 55 TYR QB 1 56 VAL HA . . 5.460 3.986 3.968 4.025 . 0 0 "[ . 1 . 2]" 1
810 1 56 VAL HA 1 61 LEU QD . . 5.250 4.634 4.517 4.755 . 0 0 "[ . 1 . 2]" 1
811 1 41 ILE MD 1 58 SER H . . 4.460 3.980 3.436 4.210 . 0 0 "[ . 1 . 2]" 1
812 1 9 THR HA 1 35 LEU HB3 . . 5.370 4.844 4.751 4.994 . 0 0 "[ . 1 . 2]" 1
813 1 40 GLU HA 1 41 ILE MG . . 5.500 4.111 3.968 4.292 . 0 0 "[ . 1 . 2]" 1
814 1 12 ILE MG 1 31 GLU HA . . 4.530 4.167 4.076 4.360 . 0 0 "[ . 1 . 2]" 1
815 1 25 LEU QB 1 26 ALA MB . . 4.860 4.240 4.208 4.264 . 0 0 "[ . 1 . 2]" 1
816 1 18 GLN QG 1 26 ALA MB . . 4.500 2.971 2.763 3.109 . 0 0 "[ . 1 . 2]" 1
817 1 33 TYR HB2 1 46 VAL MG2 . . 5.210 3.088 2.980 3.228 . 0 0 "[ . 1 . 2]" 1
818 1 44 TRP HB2 1 46 VAL MG2 . . 5.500 5.133 5.004 5.218 . 0 0 "[ . 1 . 2]" 1
819 1 17 TYR QD 1 26 ALA MB . . 4.400 3.627 3.545 3.738 . 0 0 "[ . 1 . 2]" 1
820 1 13 ALA MB 1 27 LEU HB2 . . 4.010 3.295 3.249 3.350 . 0 0 "[ . 1 . 2]" 1
821 1 17 TYR QD 1 56 VAL QG . . 3.370 2.475 2.286 2.689 . 0 0 "[ . 1 . 2]" 1
822 1 44 TRP HE3 1 56 VAL QG . . 5.500 4.074 4.001 4.120 . 0 0 "[ . 1 . 2]" 1
823 1 17 TYR QD 1 19 THR MG . . 4.430 4.519 4.432 4.619 0.189 19 0 "[ . 1 . 2]" 1
824 1 13 ALA MB 1 33 TYR QD . . 3.540 3.169 3.084 3.237 . 0 0 "[ . 1 . 2]" 1
825 1 13 ALA MB 1 31 GLU QB . . 3.650 2.531 2.328 2.619 . 0 0 "[ . 1 . 2]" 1
826 1 10 VAL MG1 1 35 LEU H . . 4.640 3.500 3.360 3.715 . 0 0 "[ . 1 . 2]" 1
827 1 10 VAL MG2 1 35 LEU H . . 4.640 3.574 3.490 3.678 . 0 0 "[ . 1 . 2]" 1
828 1 10 VAL MG1 1 34 CYS HA . . 3.560 2.641 2.461 2.810 . 0 0 "[ . 1 . 2]" 1
829 1 10 VAL MG2 1 34 CYS HA . . 3.560 3.010 2.934 3.134 . 0 0 "[ . 1 . 2]" 1
830 1 9 THR MG 1 35 LEU HB3 . . 3.640 3.675 3.123 4.002 0.362 5 0 "[ . 1 . 2]" 1
831 1 9 THR MG 1 63 GLU HG2 . . 4.250 2.158 1.900 2.567 . 0 0 "[ . 1 . 2]" 1
832 1 9 THR MG 1 63 GLU HB3 . . 3.460 3.788 2.966 4.323 0.863 15 7 "[ - . * * +*** 2]" 1
833 1 9 THR MG 1 63 GLU HG3 . . 4.250 3.108 2.376 3.426 . 0 0 "[ . 1 . 2]" 1
834 1 33 TYR HB3 1 46 VAL MG1 . . 4.220 3.262 3.178 3.348 . 0 0 "[ . 1 . 2]" 1
835 1 33 TYR HB2 1 46 VAL MG1 . . 5.210 3.221 3.158 3.282 . 0 0 "[ . 1 . 2]" 1
836 1 35 LEU MD2 1 38 SER HA . . 4.680 4.183 4.030 4.244 . 0 0 "[ . 1 . 2]" 1
837 1 35 LEU MD2 1 44 TRP HE3 . . 4.430 2.201 2.120 2.318 . 0 0 "[ . 1 . 2]" 1
838 1 61 LEU HA 1 61 LEU HG . . 4.000 2.754 2.713 2.869 . 0 0 "[ . 1 . 2]" 1
839 1 3 LEU HA 1 3 LEU HG . . 4.250 3.269 2.390 3.657 . 0 0 "[ . 1 . 2]" 1
840 1 11 VAL QG 1 63 GLU HB3 . . 4.250 4.634 4.163 4.860 0.610 10 8 "[ - . * + * **** 2]" 1
841 1 10 VAL HB 1 34 CYS HA . . 4.560 4.960 4.885 5.086 0.526 19 1 "[ . 1 . +2]" 1
842 1 14 LEU HG 1 62 VAL HB . . 4.490 4.301 3.796 4.686 0.196 14 0 "[ . 1 . 2]" 1
843 1 12 ILE HB 1 62 VAL HB . . 5.500 3.546 2.770 4.219 . 0 0 "[ . 1 . 2]" 1
844 1 12 ILE HB 1 64 LYS HB2 . . 5.500 4.876 4.673 5.078 . 0 0 "[ . 1 . 2]" 1
845 1 33 TYR HB2 1 46 VAL HB . . 4.510 3.062 2.910 3.126 . 0 0 "[ . 1 . 2]" 1
846 1 17 TYR QB 1 27 LEU HG . . 5.500 2.383 2.264 2.502 . 0 0 "[ . 1 . 2]" 1
847 1 17 TYR QB 1 56 VAL HB . . 5.500 4.272 4.134 4.380 . 0 0 "[ . 1 . 2]" 1
848 1 36 LEU MD1 1 45 ARG QD . . 5.070 2.982 1.980 3.744 . 0 0 "[ . 1 . 2]" 1
849 1 36 LEU MD2 1 45 ARG QD . . 5.070 4.168 3.535 4.611 . 0 0 "[ . 1 . 2]" 1
850 1 13 ALA HA 1 27 LEU QD . . 5.500 3.143 2.928 3.332 . 0 0 "[ . 1 . 2]" 1
851 1 13 ALA HA 1 14 LEU HA . . 4.420 4.376 4.372 4.379 . 0 0 "[ . 1 . 2]" 1
852 1 13 ALA HA 1 60 TYR QB . . 4.750 4.232 4.124 4.311 . 0 0 "[ . 1 . 2]" 1
853 1 21 ASP HA 1 22 PRO HA . . 4.480 4.385 4.384 4.386 . 0 0 "[ . 1 . 2]" 1
854 1 19 THR HA 1 20 ASN HA . . 4.550 4.356 4.349 4.362 . 0 0 "[ . 1 . 2]" 1
855 1 48 ASP HA 1 49 ARG HA . . 4.720 4.357 4.351 4.365 . 0 0 "[ . 1 . 2]" 1
856 1 49 ARG HA 1 50 ASN HA . . 4.760 4.493 4.486 4.497 . 0 0 "[ . 1 . 2]" 1
857 1 47 GLN HA 1 47 GLN HG2 . . 3.950 3.390 2.557 3.510 . 0 0 "[ . 1 . 2]" 1
858 1 47 GLN HA 1 53 GLU HA . . 3.180 2.040 1.993 2.117 . 0 0 "[ . 1 . 2]" 1
859 1 38 SER QB 1 44 TRP HA . . 4.650 4.309 4.098 4.921 0.271 6 0 "[ . 1 . 2]" 1
860 1 53 GLU HA 1 54 GLY HA3 . . 5.500 4.322 4.311 4.327 . 0 0 "[ . 1 . 2]" 1
861 1 32 GLU HA 1 33 TYR QE . . 4.800 4.678 4.536 4.855 0.055 19 0 "[ . 1 . 2]" 1
862 1 24 GLU HA 1 54 GLY HA3 . . 4.480 3.846 3.756 3.951 . 0 0 "[ . 1 . 2]" 1
863 1 24 GLU HA 1 54 GLY HA2 . . 4.340 4.139 3.996 4.263 . 0 0 "[ . 1 . 2]" 1
864 1 23 GLN HA 1 24 GLU HA . . 4.670 4.582 4.568 4.599 . 0 0 "[ . 1 . 2]" 1
865 1 24 GLU HA 1 55 TYR QD . . 5.500 2.811 2.738 2.903 . 0 0 "[ . 1 . 2]" 1
866 1 13 ALA MB 1 14 LEU HA . . 4.720 4.274 4.252 4.302 . 0 0 "[ . 1 . 2]" 1
867 1 13 ALA MB 1 30 ASN HA . . 4.950 4.606 4.490 4.668 . 0 0 "[ . 1 . 2]" 1
868 1 43 TRP HA 1 56 VAL QG . . 5.070 4.964 4.909 5.002 . 0 0 "[ . 1 . 2]" 1
869 1 43 TRP HA 1 57 PRO HB3 . . 5.500 5.412 5.177 5.501 0.001 13 0 "[ . 1 . 2]" 1
870 1 43 TRP HA 1 44 TRP HA . . 4.410 4.395 4.394 4.396 . 0 0 "[ . 1 . 2]" 1
871 1 64 LYS HA 1 64 LYS QE . . 5.500 4.469 2.904 4.874 . 0 0 "[ . 1 . 2]" 1
872 1 12 ILE MG 1 29 ARG HA . . 5.500 5.302 5.245 5.376 . 0 0 "[ . 1 . 2]" 1
873 1 14 LEU QB 1 29 ARG HA . . 5.500 5.513 5.467 5.566 0.066 19 0 "[ . 1 . 2]" 1
874 1 33 TYR HA 1 34 CYS HA . . 4.390 4.357 4.352 4.360 . 0 0 "[ . 1 . 2]" 1
875 1 11 VAL HA 1 62 VAL HA . . 5.480 5.091 4.928 5.225 . 0 0 "[ . 1 . 2]" 1
876 1 28 ARG HA 1 29 ARG HA . . 4.420 4.349 4.340 4.358 . 0 0 "[ . 1 . 2]" 1
877 1 10 VAL HA 1 11 VAL HA . . 4.590 4.435 4.430 4.441 . 0 0 "[ . 1 . 2]" 1
878 1 10 VAL HA 1 34 CYS HA . . 2.580 2.742 2.679 2.782 0.202 12 0 "[ . 1 . 2]" 1
879 1 14 LEU HA 1 29 ARG HA . . 4.350 4.338 4.301 4.362 0.012 18 0 "[ . 1 . 2]" 1
880 1 29 ARG HA 1 30 ASN HA . . 4.710 4.388 4.380 4.398 . 0 0 "[ . 1 . 2]" 1
881 1 34 CYS HB3 1 46 VAL HA . . 5.500 5.104 4.751 5.789 0.289 11 0 "[ . 1 . 2]" 1
882 1 12 ILE HA 1 33 TYR QE . . 5.500 4.972 4.732 5.142 . 0 0 "[ . 1 . 2]" 1
883 1 58 SER HA 1 59 SER HA . . 5.370 4.851 4.834 4.866 . 0 0 "[ . 1 . 2]" 1
884 1 61 LEU QB 1 62 VAL HA . . 4.620 4.168 4.130 4.203 . 0 0 "[ . 1 . 2]" 1
885 1 61 LEU HG 1 62 VAL HA . . 5.500 6.668 6.656 6.703 1.203 19 20 [**********-*******+*] 1
886 1 61 LEU HA 1 62 VAL HA . . 4.880 4.393 4.388 4.399 . 0 0 "[ . 1 . 2]" 1
887 1 28 ARG H 1 28 ARG HG2 . . 5.500 4.093 2.994 4.955 . 0 0 "[ . 1 . 2]" 1
888 1 28 ARG H 1 28 ARG HG3 . . 5.500 4.480 3.934 4.912 . 0 0 "[ . 1 . 2]" 1
889 1 49 ARG HA 1 49 ARG HG2 . . 4.150 3.441 2.306 4.150 0.000 14 0 "[ . 1 . 2]" 1
890 1 56 VAL HB 1 57 PRO HG2 . . 5.300 3.705 3.686 3.785 . 0 0 "[ . 1 . 2]" 1
891 1 12 ILE MD 1 64 LYS HG2 . . 5.010 2.880 2.225 4.445 . 0 0 "[ . 1 . 2]" 1
892 1 12 ILE MD 1 64 LYS HG3 . . 5.010 2.834 2.544 3.407 . 0 0 "[ . 1 . 2]" 1
893 1 35 LEU MD1 1 44 TRP HE3 . . 4.430 4.312 4.224 4.486 0.056 20 0 "[ . 1 . 2]" 1
894 1 61 LEU QD 1 62 VAL HA . . 3.770 4.966 4.922 5.020 1.250 2 20 [*+*****************-] 1
895 1 27 LEU QD 1 61 LEU HG . . 3.370 2.136 1.981 2.292 . 0 0 "[ . 1 . 2]" 1
896 1 27 LEU QD 1 57 PRO HD2 . . 3.760 2.280 1.972 2.773 . 0 0 "[ . 1 . 2]" 1
897 1 17 TYR QB 1 27 LEU QD . . 4.510 2.024 1.935 2.257 . 0 0 "[ . 1 . 2]" 1
898 1 27 LEU QD 1 60 TYR QB . . 4.400 2.322 2.219 2.435 . 0 0 "[ . 1 . 2]" 1
899 1 17 TYR QD 1 27 LEU QD . . 5.250 3.022 2.797 3.297 . 0 0 "[ . 1 . 2]" 1
900 1 11 VAL QG 1 61 LEU HG . . 4.280 3.801 3.720 3.880 . 0 0 "[ . 1 . 2]" 1
901 1 45 ARG HB2 1 46 VAL HA . . 5.500 5.481 5.392 5.542 0.042 2 0 "[ . 1 . 2]" 1
902 1 33 TYR HB2 1 46 VAL HA . . 5.500 5.421 5.270 5.492 . 0 0 "[ . 1 . 2]" 1
903 1 36 LEU HA 1 46 VAL HA . . 5.500 4.844 4.741 4.944 . 0 0 "[ . 1 . 2]" 1
904 1 43 TRP HB2 1 55 TYR HA . . 4.730 4.404 4.303 4.470 . 0 0 "[ . 1 . 2]" 1
905 1 43 TRP HE3 1 55 TYR HA . . 4.670 4.200 4.134 4.241 . 0 0 "[ . 1 . 2]" 1
906 1 55 TYR HA 1 56 VAL HA . . 4.620 4.454 4.434 4.465 . 0 0 "[ . 1 . 2]" 1
907 1 41 ILE MD 1 57 PRO HB2 . . 5.500 4.367 3.609 4.644 . 0 0 "[ . 1 . 2]" 1
908 1 41 ILE MG 1 59 SER HA . . 5.500 5.538 5.401 5.580 0.080 13 0 "[ . 1 . 2]" 1
909 1 41 ILE MG 1 42 HIS QB . . 4.330 4.070 3.949 4.189 . 0 0 "[ . 1 . 2]" 1
910 1 17 TYR HE2 1 26 ALA HA . . 5.260 3.487 3.379 3.675 . 0 0 "[ . 1 . 2]" 1
911 1 19 THR HA 1 26 ALA HA . . 5.500 5.482 5.417 5.504 0.004 7 0 "[ . 1 . 2]" 1
912 1 26 ALA HA 1 56 VAL HA . . 5.500 5.428 5.332 5.505 0.005 18 0 "[ . 1 . 2]" 1
913 1 25 LEU HG 1 26 ALA HA . . 5.500 5.412 5.334 5.479 . 0 0 "[ . 1 . 2]" 1
914 1 26 ALA HA 1 27 LEU HG . . 4.740 3.539 3.466 3.669 . 0 0 "[ . 1 . 2]" 1
915 1 26 ALA HA 1 56 VAL HB . . 5.440 5.399 5.244 5.523 0.083 16 0 "[ . 1 . 2]" 1
916 1 25 LEU QB 1 26 ALA HA . . 5.500 4.083 4.048 4.103 . 0 0 "[ . 1 . 2]" 1
917 1 22 PRO QB 1 23 GLN QG . . 5.500 5.789 5.560 6.044 0.544 11 3 "[ . - 1+ . *2]" 1
918 1 22 PRO QG 1 23 GLN QG . . 5.500 5.270 4.976 5.436 . 0 0 "[ . 1 . 2]" 1
919 1 63 GLU HA 1 63 GLU HG3 . . 4.230 2.551 2.045 2.862 . 0 0 "[ . 1 . 2]" 1
920 1 63 GLU HA 1 63 GLU HG2 . . 4.230 2.527 2.177 3.362 . 0 0 "[ . 1 . 2]" 1
921 1 8 GLU HA 1 8 GLU QG . . 3.410 3.259 2.554 3.433 0.023 11 0 "[ . 1 . 2]" 1
922 1 7 GLU HA 1 7 GLU QG . . 3.830 2.961 2.153 3.465 . 0 0 "[ . 1 . 2]" 1
923 1 22 PRO QB 1 23 GLN HA . . 4.740 4.100 4.098 4.108 . 0 0 "[ . 1 . 2]" 1
924 1 22 PRO QG 1 23 GLN HA . . 5.140 4.075 4.068 4.094 . 0 0 "[ . 1 . 2]" 1
925 1 63 GLU HB3 1 64 LYS HA . . 5.280 4.789 4.733 4.846 . 0 0 "[ . 1 . 2]" 1
926 1 63 GLU HA 1 64 LYS HA . . 4.520 4.398 4.392 4.402 . 0 0 "[ . 1 . 2]" 1
927 1 15 TYR HA 1 15 TYR QD . . 3.610 2.921 2.859 3.037 . 0 0 "[ . 1 . 2]" 1
928 1 15 TYR QD 1 60 TYR HA . . 3.210 3.234 3.222 3.252 0.042 20 0 "[ . 1 . 2]" 1
929 1 15 TYR HB3 1 15 TYR QD . . 3.120 2.418 2.371 2.447 . 0 0 "[ . 1 . 2]" 1
930 1 14 LEU QB 1 15 TYR QD . . 3.850 2.203 1.978 2.371 . 0 0 "[ . 1 . 2]" 1
931 1 14 LEU MD1 1 15 TYR QD . . 5.150 3.552 3.197 3.765 . 0 0 "[ . 1 . 2]" 1
932 1 14 LEU MD2 1 15 TYR QD . . 5.150 4.880 4.719 4.997 . 0 0 "[ . 1 . 2]" 1
933 1 32 GLU HA 1 33 TYR QD . . 3.730 3.370 3.219 3.578 . 0 0 "[ . 1 . 2]" 1
934 1 33 TYR QD 1 46 VAL HB . . 4.120 3.862 3.811 3.933 . 0 0 "[ . 1 . 2]" 1
935 1 55 TYR HA 1 55 TYR QD . . 3.910 3.106 3.044 3.143 . 0 0 "[ . 1 . 2]" 1
936 1 24 GLU QG 1 55 TYR QD . . 4.070 4.056 3.734 4.784 0.714 19 5 "[ . *1-* . * +2]" 1
937 1 43 TRP HB2 1 55 TYR QD . . 3.810 1.953 1.944 1.961 . 0 0 "[ . 1 . 2]" 1
938 1 17 TYR QD 1 26 ALA HA . . 3.650 2.076 1.997 2.191 . 0 0 "[ . 1 . 2]" 1
939 1 17 TYR QD 1 27 LEU H . . 3.650 2.551 2.447 2.643 . 0 0 "[ . 1 . 2]" 1
940 1 17 TYR QD 1 19 THR HB . . 4.230 4.324 4.194 4.527 0.297 5 0 "[ . 1 . 2]" 1
941 1 17 TYR QB 1 17 TYR QD . . 3.050 2.139 2.137 2.142 . 0 0 "[ . 1 . 2]" 1
942 1 17 TYR QD 1 27 LEU HG . . 3.690 2.582 2.417 2.802 . 0 0 "[ . 1 . 2]" 1
943 1 17 TYR QD 1 27 LEU HB2 . . 4.040 3.875 3.845 3.902 . 0 0 "[ . 1 . 2]" 1
944 1 17 TYR QD 1 57 PRO HG3 . . 3.510 2.941 2.858 3.054 . 0 0 "[ . 1 . 2]" 1
945 1 44 TRP HH2 1 61 LEU QD . . 5.420 5.514 5.362 5.615 0.195 3 0 "[ . 1 . 2]" 1
946 1 43 TRP HZ3 1 55 TYR QB . . 4.460 5.812 5.743 5.893 1.433 13 20 [************+******-] 1
947 1 15 TYR QE 1 60 TYR HA . . 4.150 4.037 3.937 4.352 0.202 20 0 "[ . 1 . 2]" 1
948 1 14 LEU QB 1 15 TYR QE . . 4.480 2.631 2.477 2.695 . 0 0 "[ . 1 . 2]" 1
949 1 17 TYR HE2 1 56 VAL QG . . 3.340 2.709 2.510 2.943 . 0 0 "[ . 1 . 2]" 1
950 1 17 TYR HE1 1 57 PRO HG3 . . 3.400 2.993 2.886 3.044 . 0 0 "[ . 1 . 2]" 1
951 1 17 TYR HE2 1 19 THR HB . . 3.810 2.599 2.478 2.806 . 0 0 "[ . 1 . 2]" 1
952 1 17 TYR HE2 1 19 THR HA . . 3.950 3.835 3.677 3.950 0.000 5 0 "[ . 1 . 2]" 1
953 1 15 TYR QD 1 60 TYR QB . . 5.150 3.042 2.905 3.146 . 0 0 "[ . 1 . 2]" 1
954 1 13 ALA H 1 33 TYR QD . . 4.020 3.401 3.286 3.506 . 0 0 "[ . 1 . 2]" 1
955 1 15 TYR HB2 1 60 TYR QD . . 3.700 1.991 1.985 1.998 . 0 0 "[ . 1 . 2]" 1
956 1 15 TYR QD 1 60 TYR QD . . 3.860 1.993 1.980 2.000 . 0 0 "[ . 1 . 2]" 1
957 1 43 TRP HA 1 44 TRP HD1 . . 4.420 4.329 4.239 4.444 0.024 19 0 "[ . 1 . 2]" 1
958 1 43 TRP HB2 1 43 TRP HE3 . . 3.820 2.622 2.619 2.627 . 0 0 "[ . 1 . 2]" 1
959 1 43 TRP HE3 1 55 TYR QB . . 3.550 3.872 3.810 3.943 0.393 13 0 "[ . 1 . 2]" 1
960 1 13 ALA MB 1 33 TYR QE . . 3.170 2.025 1.885 2.203 . 0 0 "[ . 1 . 2]" 1
961 1 50 ASN HB3 1 52 HIS HE1 . . 5.050 2.733 2.533 2.926 . 0 0 "[ . 1 . 2]" 1
962 1 50 ASN HB2 1 52 HIS HE1 . . 5.210 2.716 2.535 2.915 . 0 0 "[ . 1 . 2]" 1
963 1 44 TRP HB3 1 44 TRP HD1 . . 3.870 3.813 3.791 3.824 . 0 0 "[ . 1 . 2]" 1
964 1 38 SER HA 1 44 TRP HD1 . . 3.570 3.108 3.003 3.249 . 0 0 "[ . 1 . 2]" 1
965 1 41 ILE HA 1 44 TRP HD1 . . 3.820 3.827 3.630 4.071 0.251 5 0 "[ . 1 . 2]" 1
966 1 44 TRP HA 1 44 TRP HD1 . . 2.970 2.328 2.234 2.392 . 0 0 "[ . 1 . 2]" 1
967 1 38 SER QB 1 44 TRP HZ2 . . 3.970 3.046 2.851 3.362 . 0 0 "[ . 1 . 2]" 1
968 1 45 ARG H 1 55 TYR QD . . 4.810 4.397 4.306 4.464 . 0 0 "[ . 1 . 2]" 1
969 1 52 HIS HA 1 52 HIS HE1 . . 5.170 5.831 5.798 5.901 0.731 1 20 [+*********-*********] 1
970 1 51 GLY H 1 52 HIS HE1 . . 5.500 5.165 5.041 5.258 . 0 0 "[ . 1 . 2]" 1
971 1 41 ILE H 1 44 TRP HD1 . . 4.640 5.006 4.955 5.060 0.420 12 0 "[ . 1 . 2]" 1
972 1 17 TYR HE2 1 27 LEU H . . 4.740 4.915 4.820 5.009 0.269 6 0 "[ . 1 . 2]" 1
973 1 17 TYR HE1 1 57 PRO HD3 . . 4.420 3.755 3.660 3.879 . 0 0 "[ . 1 . 2]" 1
974 1 17 TYR HE2 1 57 PRO HD3 . . 4.570 3.101 2.981 3.212 . 0 0 "[ . 1 . 2]" 1
975 1 17 TYR QB 1 17 TYR HE1 . . 4.980 4.494 4.466 4.512 . 0 0 "[ . 1 . 2]" 1
976 1 50 ASN HB2 1 52 HIS HD2 . . 5.240 5.483 5.433 5.506 0.266 1 0 "[ . 1 . 2]" 1
977 1 52 HIS H 1 52 HIS HD2 . . 4.500 4.738 4.613 4.792 0.292 19 0 "[ . 1 . 2]" 1
978 1 2 PRO QB 1 3 LEU H . . 3.850 3.247 2.218 3.798 . 0 0 "[ . 1 . 2]" 1
979 1 3 LEU H 1 3 LEU QB . . 3.440 2.587 2.024 3.399 . 0 0 "[ . 1 . 2]" 1
980 1 3 LEU HA 1 3 LEU QD . . 3.960 2.372 1.853 3.374 . 0 0 "[ . 1 . 2]" 1
981 1 5 SER QB 1 7 GLU H . . 4.360 3.247 2.204 4.187 . 0 0 "[ . 1 . 2]" 1
982 1 6 PRO QD 1 7 GLU H . . 4.680 3.527 2.633 4.459 . 0 0 "[ . 1 . 2]" 1
983 1 7 GLU H 1 7 GLU QB . . 3.160 2.861 2.382 3.263 0.103 3 0 "[ . 1 . 2]" 1
984 1 7 GLU QB 1 8 GLU H . . 4.430 3.788 3.486 4.022 . 0 0 "[ . 1 . 2]" 1
985 1 8 GLU H 1 8 GLU QB . . 3.480 2.847 2.549 3.087 . 0 0 "[ . 1 . 2]" 1
986 1 8 GLU HA 1 10 VAL QG . . 5.440 5.197 4.636 5.456 0.016 14 0 "[ . 1 . 2]" 1
987 1 8 GLU QB 1 9 THR H . . 3.900 3.438 2.343 4.042 0.142 8 0 "[ . 1 . 2]" 1
988 1 9 THR H 1 10 VAL QG . . 4.300 4.139 3.809 4.435 0.135 19 0 "[ . 1 . 2]" 1
989 1 9 THR H 1 35 LEU QD . . 5.190 4.524 4.336 4.932 . 0 0 "[ . 1 . 2]" 1
990 1 9 THR HA 1 10 VAL QG . . 4.270 3.326 3.299 3.361 . 0 0 "[ . 1 . 2]" 1
991 1 9 THR HB 1 35 LEU QD . . 4.190 3.729 3.637 3.892 . 0 0 "[ . 1 . 2]" 1
992 1 9 THR MG 1 35 LEU QD . . 4.110 3.904 3.589 4.133 0.023 5 0 "[ . 1 . 2]" 1
993 1 9 THR MG 1 63 GLU QG . . 3.480 2.103 1.880 2.289 . 0 0 "[ . 1 . 2]" 1
994 1 10 VAL H 1 10 VAL QG . . 3.130 2.594 2.549 2.639 . 0 0 "[ . 1 . 2]" 1
995 1 10 VAL H 1 32 GLU QG . . 5.340 6.282 6.081 6.445 1.105 17 20 [****************+**-] 1
996 1 10 VAL HA 1 10 VAL QG . . 2.900 2.073 2.047 2.086 . 0 0 "[ . 1 . 2]" 1
997 1 10 VAL QG 1 11 VAL H . . 3.070 2.021 1.981 2.055 . 0 0 "[ . 1 . 2]" 1
998 1 10 VAL QG 1 32 GLU H . . 4.880 4.999 4.823 5.158 0.278 17 0 "[ . 1 . 2]" 1
999 1 10 VAL QG 1 32 GLU HA . . 3.860 3.355 3.234 3.490 . 0 0 "[ . 1 . 2]" 1
1000 1 10 VAL QG 1 32 GLU QB . . 2.570 2.264 2.094 2.443 . 0 0 "[ . 1 . 2]" 1
1001 1 10 VAL QG 1 32 GLU QG . . 3.450 2.374 2.194 2.538 . 0 0 "[ . 1 . 2]" 1
1002 1 10 VAL QG 1 33 TYR H . . 3.210 2.307 2.238 2.397 . 0 0 "[ . 1 . 2]" 1
1003 1 10 VAL QG 1 33 TYR HA . . 4.160 3.680 3.596 3.757 . 0 0 "[ . 1 . 2]" 1
1004 1 10 VAL QG 1 34 CYS H . . 4.090 3.579 3.485 3.716 . 0 0 "[ . 1 . 2]" 1
1005 1 10 VAL QG 1 34 CYS HA . . 3.000 2.479 2.366 2.604 . 0 0 "[ . 1 . 2]" 1
1006 1 10 VAL QG 1 35 LEU H . . 3.950 3.149 3.087 3.274 . 0 0 "[ . 1 . 2]" 1
1007 1 10 VAL QG 1 47 GLN H . . 5.440 5.361 5.274 5.521 0.081 18 0 "[ . 1 . 2]" 1
1008 1 10 VAL QG 1 47 GLN HB3 . . 5.440 5.900 5.726 6.085 0.645 19 6 "[ * . 1 .***+-]" 1
1009 1 10 VAL QG 1 64 LYS HB3 . . 5.000 3.113 3.064 3.128 . 0 0 "[ . 1 . 2]" 1
1010 1 11 VAL H 1 35 LEU QD . . 5.440 4.123 4.043 4.233 . 0 0 "[ . 1 . 2]" 1
1011 1 11 VAL HA 1 63 GLU QG . . 4.500 4.207 3.935 4.451 . 0 0 "[ . 1 . 2]" 1
1012 1 11 VAL QG 1 35 LEU QD . . 3.620 1.765 1.675 1.834 . 0 0 "[ . 1 . 2]" 1
1013 1 11 VAL QG 1 46 VAL QG . . 3.000 1.964 1.842 2.082 . 0 0 "[ . 1 . 2]" 1
1014 1 11 VAL QG 1 63 GLU QG . . 3.210 2.787 2.260 3.143 . 0 0 "[ . 1 . 2]" 1
1015 1 12 ILE H 1 14 LEU QD . . 4.900 4.257 4.102 4.694 . 0 0 "[ . 1 . 2]" 1
1016 1 12 ILE H 1 32 GLU QG . . 5.110 4.625 4.454 4.800 . 0 0 "[ . 1 . 2]" 1
1017 1 12 ILE H 1 62 VAL QG . . 5.440 2.910 2.151 3.853 . 0 0 "[ . 1 . 2]" 1
1018 1 12 ILE HA 1 32 GLU QG . . 4.550 3.020 2.817 3.255 . 0 0 "[ . 1 . 2]" 1
1019 1 12 ILE HB 1 14 LEU QD . . 4.290 3.132 3.012 3.613 . 0 0 "[ . 1 . 2]" 1
1020 1 12 ILE HB 1 62 VAL QG . . 3.300 2.650 1.880 3.620 0.320 5 0 "[ . 1 . 2]" 1
1021 1 12 ILE MG 1 32 GLU QG . . 4.560 2.734 2.382 3.111 . 0 0 "[ . 1 . 2]" 1
1022 1 12 ILE MD 1 32 GLU QG . . 3.790 3.415 3.315 3.529 . 0 0 "[ . 1 . 2]" 1
1023 1 12 ILE MD 1 64 LYS QG . . 4.340 2.437 2.118 3.304 . 0 0 "[ . 1 . 2]" 1
1024 1 13 ALA H 1 14 LEU QD . . 4.520 4.548 4.329 5.131 0.611 16 2 "[ . 1 .+ - 2]" 1
1025 1 13 ALA HA 1 14 LEU QD . . 3.370 3.680 3.452 4.111 0.741 16 3 "[ . 1 .+-* 2]" 1
1026 1 13 ALA MB 1 31 GLU QG . . 4.340 4.171 3.865 4.457 0.117 5 0 "[ . 1 . 2]" 1
1027 1 14 LEU H 1 14 LEU QD . . 3.390 2.871 2.681 3.114 . 0 0 "[ . 1 . 2]" 1
1028 1 14 LEU HA 1 14 LEU QD . . 3.200 2.161 2.004 2.501 . 0 0 "[ . 1 . 2]" 1
1029 1 14 LEU QD 1 15 TYR H . . 4.430 4.037 3.978 4.091 . 0 0 "[ . 1 . 2]" 1
1030 1 14 LEU QD 1 15 TYR QE . . 3.430 2.815 2.664 2.945 . 0 0 "[ . 1 . 2]" 1
1031 1 14 LEU QD 1 15 TYR QD . . 4.380 3.469 3.149 3.661 . 0 0 "[ . 1 . 2]" 1
1032 1 14 LEU QD 1 30 ASN H . . 5.440 5.072 4.924 5.391 . 0 0 "[ . 1 . 2]" 1
1033 1 14 LEU QD 1 60 TYR HA . . 3.660 2.238 1.896 2.633 . 0 0 "[ . 1 . 2]" 1
1034 1 14 LEU QD 1 61 LEU HA . . 3.290 3.082 2.924 3.227 . 0 0 "[ . 1 . 2]" 1
1035 1 14 LEU QD 1 62 VAL H . . 3.910 2.768 2.565 3.177 . 0 0 "[ . 1 . 2]" 1
1036 1 14 LEU QD 1 62 VAL HB . . 3.110 2.246 1.934 2.582 . 0 0 "[ . 1 . 2]" 1
1037 1 14 LEU QD 1 62 VAL QG . . 3.280 2.000 1.624 2.452 . 0 0 "[ . 1 . 2]" 1
1038 1 16 ASP H 1 16 ASP QB . . 3.490 2.534 2.200 2.685 . 0 0 "[ . 1 . 2]" 1
1039 1 16 ASP H 1 29 ARG QB . . 3.620 2.956 2.811 3.142 . 0 0 "[ . 1 . 2]" 1
1040 1 16 ASP QB 1 28 ARG HA . . 3.770 3.072 2.832 3.434 . 0 0 "[ . 1 . 2]" 1
1041 1 16 ASP QB 1 29 ARG H . . 5.190 2.735 2.505 3.604 . 0 0 "[ . 1 . 2]" 1
1042 1 18 GLN H 1 18 GLN QB . . 3.190 2.576 2.532 2.602 . 0 0 "[ . 1 . 2]" 1
1043 1 18 GLN QB 1 19 THR H . . 3.800 3.259 2.947 3.334 . 0 0 "[ . 1 . 2]" 1
1044 1 18 GLN QB 1 19 THR HA . . 4.870 4.363 4.174 4.415 . 0 0 "[ . 1 . 2]" 1
1045 1 18 GLN QB 1 26 ALA MB . . 3.900 3.973 3.829 4.044 0.144 3 0 "[ . 1 . 2]" 1
1046 1 19 THR HA 1 20 ASN QB . . 4.770 4.245 4.022 4.698 . 0 0 "[ . 1 . 2]" 1
1047 1 20 ASN H 1 20 ASN QB . . 3.180 2.481 2.267 2.873 . 0 0 "[ . 1 . 2]" 1
1048 1 20 ASN QD 1 21 ASP H . . 5.340 4.240 3.109 4.913 . 0 0 "[ . 1 . 2]" 1
1049 1 21 ASP H 1 22 PRO QD . . 4.700 4.364 4.362 4.367 . 0 0 "[ . 1 . 2]" 1
1050 1 22 PRO QB 1 23 GLN QB . . 4.610 4.740 4.730 4.746 0.136 15 0 "[ . 1 . 2]" 1
1051 1 22 PRO QD 1 23 GLN H . . 3.480 2.684 2.681 2.698 . 0 0 "[ . 1 . 2]" 1
1052 1 22 PRO QD 1 24 GLU H . . 4.520 4.771 4.738 4.804 0.284 19 0 "[ . 1 . 2]" 1
1053 1 23 GLN H 1 23 GLN QB . . 2.910 2.160 2.147 2.190 . 0 0 "[ . 1 . 2]" 1
1054 1 23 GLN QB 1 24 GLU H . . 3.720 2.614 2.535 2.700 . 0 0 "[ . 1 . 2]" 1
1055 1 25 LEU H 1 25 LEU QD . . 4.620 3.154 3.117 3.231 . 0 0 "[ . 1 . 2]" 1
1056 1 25 LEU HA 1 25 LEU QD . . 3.240 2.173 2.139 2.204 . 0 0 "[ . 1 . 2]" 1
1057 1 25 LEU QD 1 26 ALA H . . 3.570 3.328 3.272 3.361 . 0 0 "[ . 1 . 2]" 1
1058 1 25 LEU QD 1 47 GLN HA . . 4.160 3.389 3.228 3.508 . 0 0 "[ . 1 . 2]" 1
1059 1 25 LEU QD 1 48 ASP H . . 3.990 3.352 3.214 3.481 . 0 0 "[ . 1 . 2]" 1
1060 1 25 LEU QD 1 48 ASP HA . . 5.260 4.619 4.536 4.729 . 0 0 "[ . 1 . 2]" 1
1061 1 25 LEU QD 1 48 ASP QB . . 3.710 3.492 2.871 3.917 0.207 19 0 "[ . 1 . 2]" 1
1062 1 25 LEU QD 1 52 HIS H . . 5.320 4.435 4.345 4.592 . 0 0 "[ . 1 . 2]" 1
1063 1 25 LEU QD 1 52 HIS HB2 . . 3.640 2.922 2.792 3.060 . 0 0 "[ . 1 . 2]" 1
1064 1 25 LEU QD 1 52 HIS HB3 . . 3.660 2.924 2.756 3.230 . 0 0 "[ . 1 . 2]" 1
1065 1 25 LEU QD 1 53 GLU H . . 4.180 3.390 3.324 3.497 . 0 0 "[ . 1 . 2]" 1
1066 1 25 LEU QD 1 53 GLU HA . . 3.960 2.673 2.601 2.727 . 0 0 "[ . 1 . 2]" 1
1067 1 25 LEU QD 1 53 GLU HG2 . . 5.030 4.957 4.556 5.431 0.401 12 0 "[ . 1 . 2]" 1
1068 1 25 LEU QD 1 54 GLY H . . 3.810 2.339 2.228 2.433 . 0 0 "[ . 1 . 2]" 1
1069 1 28 ARG HA 1 28 ARG QG . . 3.540 2.587 2.158 2.907 . 0 0 "[ . 1 . 2]" 1
1070 1 28 ARG HA 1 31 GLU QG . . 5.340 5.596 5.302 6.154 0.814 4 5 "[ *+. *1 *. -2]" 1
1071 1 28 ARG QB 1 29 ARG H . . 4.130 3.455 3.170 3.762 . 0 0 "[ . 1 . 2]" 1
1072 1 28 ARG QB 1 31 GLU QB . . 3.940 2.317 2.156 2.499 . 0 0 "[ . 1 . 2]" 1
1073 1 28 ARG QB 1 31 GLU QG . . 3.980 2.864 2.516 3.530 . 0 0 "[ . 1 . 2]" 1
1074 1 29 ARG H 1 29 ARG QB . . 2.670 2.154 2.086 2.224 . 0 0 "[ . 1 . 2]" 1
1075 1 29 ARG QB 1 29 ARG QD . . 3.280 2.152 2.042 2.385 . 0 0 "[ . 1 . 2]" 1
1076 1 29 ARG QB 1 30 ASN H . . 4.200 3.606 3.516 3.651 . 0 0 "[ . 1 . 2]" 1
1077 1 29 ARG QD 1 30 ASN H . . 5.340 4.134 2.246 4.790 . 0 0 "[ . 1 . 2]" 1
1078 1 30 ASN QB 1 30 ASN QD . . 3.040 2.178 2.065 2.467 . 0 0 "[ . 1 . 2]" 1
1079 1 30 ASN QB 1 31 GLU H . . 4.310 3.939 3.896 3.975 . 0 0 "[ . 1 . 2]" 1
1080 1 30 ASN QB 1 31 GLU HA . . 4.750 4.464 4.307 4.592 . 0 0 "[ . 1 . 2]" 1
1081 1 31 GLU H 1 31 GLU QG . . 3.590 4.273 4.182 4.354 0.764 7 20 [******+*-***********] 1
1082 1 31 GLU HA 1 31 GLU QG . . 3.650 2.495 2.098 2.897 . 0 0 "[ . 1 . 2]" 1
1083 1 31 GLU QG 1 33 TYR QE . . 4.890 3.515 3.224 4.300 . 0 0 "[ . 1 . 2]" 1
1084 1 32 GLU HA 1 32 GLU QG . . 3.210 2.205 2.121 2.267 . 0 0 "[ . 1 . 2]" 1
1085 1 32 GLU QG 1 33 TYR H . . 3.500 3.341 3.285 3.427 . 0 0 "[ . 1 . 2]" 1
1086 1 33 TYR HA 1 46 VAL QG . . 4.420 4.156 4.041 4.246 . 0 0 "[ . 1 . 2]" 1
1087 1 33 TYR HB2 1 46 VAL QG . . 3.930 2.806 2.726 2.868 . 0 0 "[ . 1 . 2]" 1
1088 1 33 TYR HB3 1 46 VAL QG . . 3.510 2.336 2.227 2.419 . 0 0 "[ . 1 . 2]" 1
1089 1 33 TYR QD 1 46 VAL QG . . 3.420 2.783 2.662 2.907 . 0 0 "[ . 1 . 2]" 1
1090 1 33 TYR QD 1 48 ASP QB . . 4.630 3.701 3.004 3.991 . 0 0 "[ . 1 . 2]" 1
1091 1 33 TYR QE 1 46 VAL QG . . 4.610 4.006 3.930 4.120 . 0 0 "[ . 1 . 2]" 1
1092 1 34 CYS H 1 46 VAL QG . . 5.400 4.364 4.240 4.448 . 0 0 "[ . 1 . 2]" 1
1093 1 34 CYS HA 1 36 LEU QD . . 5.160 4.917 4.734 5.050 . 0 0 "[ . 1 . 2]" 1
1094 1 34 CYS HB3 1 36 LEU QD . . 4.620 3.270 2.862 3.892 . 0 0 "[ . 1 . 2]" 1
1095 1 35 LEU H 1 46 VAL QG . . 4.320 4.105 4.047 4.186 . 0 0 "[ . 1 . 2]" 1
1096 1 35 LEU HA 1 35 LEU QD . . 3.040 1.954 1.909 1.999 . 0 0 "[ . 1 . 2]" 1
1097 1 35 LEU HA 1 46 VAL QG . . 2.840 2.278 2.204 2.418 . 0 0 "[ . 1 . 2]" 1
1098 1 35 LEU HB2 1 35 LEU QD . . 3.040 2.277 2.235 2.301 . 0 0 "[ . 1 . 2]" 1
1099 1 35 LEU HB2 1 46 VAL QG . . 3.680 3.735 3.651 3.782 0.102 5 0 "[ . 1 . 2]" 1
1100 1 35 LEU HB3 1 46 VAL QG . . 4.640 4.467 4.439 4.536 . 0 0 "[ . 1 . 2]" 1
1101 1 35 LEU QD 1 36 LEU H . . 3.470 2.108 2.081 2.243 . 0 0 "[ . 1 . 2]" 1
1102 1 35 LEU QD 1 36 LEU HB2 . . 5.080 3.882 3.812 3.926 . 0 0 "[ . 1 . 2]" 1
1103 1 35 LEU QD 1 37 ASP H . . 3.440 2.405 2.293 2.461 . 0 0 "[ . 1 . 2]" 1
1104 1 35 LEU QD 1 38 SER HA . . 3.620 3.238 3.070 3.315 . 0 0 "[ . 1 . 2]" 1
1105 1 35 LEU QD 1 38 SER QB . . 3.190 1.964 1.921 2.055 . 0 0 "[ . 1 . 2]" 1
1106 1 35 LEU QD 1 44 TRP HA . . 3.920 3.891 3.839 3.947 0.027 15 0 "[ . 1 . 2]" 1
1107 1 35 LEU QD 1 44 TRP HB2 . . 3.760 4.104 4.071 4.146 0.386 5 0 "[ . 1 . 2]" 1
1108 1 35 LEU QD 1 44 TRP HB3 . . 3.390 2.763 2.729 2.819 . 0 0 "[ . 1 . 2]" 1
1109 1 35 LEU QD 1 44 TRP HE3 . . 3.330 2.194 2.115 2.310 . 0 0 "[ . 1 . 2]" 1
1110 1 35 LEU QD 1 44 TRP HZ3 . . 3.880 2.739 2.642 2.884 . 0 0 "[ . 1 . 2]" 1
1111 1 35 LEU QD 1 44 TRP HH2 . . 5.190 4.157 4.070 4.228 . 0 0 "[ . 1 . 2]" 1
1112 1 35 LEU QD 1 45 ARG H . . 3.810 3.566 3.501 3.632 . 0 0 "[ . 1 . 2]" 1
1113 1 35 LEU QD 1 46 VAL HA . . 3.770 3.308 3.216 3.349 . 0 0 "[ . 1 . 2]" 1
1114 1 35 LEU QD 1 46 VAL QG . . 2.730 1.734 1.721 1.771 . 0 0 "[ . 1 . 2]" 1
1115 1 36 LEU H 1 36 LEU QD . . 3.860 3.074 2.464 3.336 . 0 0 "[ . 1 . 2]" 1
1116 1 36 LEU H 1 46 VAL QG . . 4.050 2.950 2.868 3.098 . 0 0 "[ . 1 . 2]" 1
1117 1 36 LEU HA 1 36 LEU QD . . 3.580 2.694 2.371 3.028 . 0 0 "[ . 1 . 2]" 1
1118 1 36 LEU HB2 1 36 LEU QD . . 3.040 1.988 1.919 2.135 . 0 0 "[ . 1 . 2]" 1
1119 1 36 LEU QD 1 37 ASP H . . 3.700 3.613 3.479 3.698 . 0 0 "[ . 1 . 2]" 1
1120 1 36 LEU QD 1 45 ARG HB3 . . 3.880 2.919 2.623 3.349 . 0 0 "[ . 1 . 2]" 1
1121 1 36 LEU QD 1 45 ARG QD . . 4.180 2.848 1.977 3.281 . 0 0 "[ . 1 . 2]" 1
1122 1 36 LEU QD 1 46 VAL HA . . 3.260 2.373 1.973 2.753 . 0 0 "[ . 1 . 2]" 1
1123 1 36 LEU QD 1 46 VAL QG . . 4.030 3.475 3.355 3.607 . 0 0 "[ . 1 . 2]" 1
1124 1 36 LEU QD 1 47 GLN H . . 4.010 2.778 2.309 3.113 . 0 0 "[ . 1 . 2]" 1
1125 1 36 LEU QD 1 47 GLN HA . . 3.860 3.086 2.961 3.278 . 0 0 "[ . 1 . 2]" 1
1126 1 36 LEU QD 1 47 GLN HB2 . . 3.620 1.929 1.895 1.957 . 0 0 "[ . 1 . 2]" 1
1127 1 36 LEU QD 1 47 GLN HB3 . . 3.880 2.553 2.199 2.828 . 0 0 "[ . 1 . 2]" 1
1128 1 36 LEU QD 1 53 GLU HA . . 4.990 3.308 3.162 3.513 . 0 0 "[ . 1 . 2]" 1
1129 1 36 LEU QD 1 53 GLU HB3 . . 4.180 2.155 2.006 2.399 . 0 0 "[ . 1 . 2]" 1
1130 1 36 LEU QD 1 53 GLU HG2 . . 4.440 2.477 1.884 2.935 . 0 0 "[ . 1 . 2]" 1
1131 1 36 LEU QD 1 53 GLU HG3 . . 4.600 3.352 2.742 3.760 . 0 0 "[ . 1 . 2]" 1
1132 1 37 ASP H 1 45 ARG QG . . 5.100 4.453 4.388 4.548 . 0 0 "[ . 1 . 2]" 1
1133 1 37 ASP H 1 46 VAL QG . . 5.440 3.905 3.835 3.999 . 0 0 "[ . 1 . 2]" 1
1134 1 38 SER HA 1 46 VAL QG . . 5.440 5.317 5.180 5.390 . 0 0 "[ . 1 . 2]" 1
1135 1 40 GLU HA 1 40 GLU QG . . 3.190 2.110 2.017 2.272 . 0 0 "[ . 1 . 2]" 1
1136 1 40 GLU QG 1 41 ILE H . . 5.320 2.285 1.956 2.542 . 0 0 "[ . 1 . 2]" 1
1137 1 40 GLU QG 1 41 ILE HA . . 5.340 4.639 4.259 4.931 . 0 0 "[ . 1 . 2]" 1
1138 1 40 GLU QG 1 42 HIS H . . 4.940 2.939 2.411 3.308 . 0 0 "[ . 1 . 2]" 1
1139 1 41 ILE MD 1 59 SER QB . . 4.450 1.938 1.788 2.245 . 0 0 "[ . 1 . 2]" 1
1140 1 44 TRP H 1 46 VAL QG . . 4.990 4.640 4.588 4.686 . 0 0 "[ . 1 . 2]" 1
1141 1 44 TRP HB2 1 46 VAL QG . . 4.560 3.733 3.665 3.797 . 0 0 "[ . 1 . 2]" 1
1142 1 44 TRP HB3 1 46 VAL QG . . 3.920 2.689 2.596 2.767 . 0 0 "[ . 1 . 2]" 1
1143 1 44 TRP HD1 1 58 SER QB . . 4.750 3.315 3.247 3.419 . 0 0 "[ . 1 . 2]" 1
1144 1 44 TRP HE3 1 46 VAL QG . . 3.960 3.231 3.134 3.313 . 0 0 "[ . 1 . 2]" 1
1145 1 44 TRP HE3 1 58 SER QB . . 4.430 3.663 3.297 3.857 . 0 0 "[ . 1 . 2]" 1
1146 1 44 TRP HE1 1 58 SER QB . . 4.110 3.282 3.202 3.408 . 0 0 "[ . 1 . 2]" 1
1147 1 44 TRP HZ3 1 46 VAL QG . . 5.440 4.652 4.541 4.751 . 0 0 "[ . 1 . 2]" 1
1148 1 44 TRP HZ3 1 58 SER QB . . 4.730 4.381 3.635 4.725 . 0 0 "[ . 1 . 2]" 1
1149 1 44 TRP HZ2 1 58 SER QB . . 4.240 3.756 3.336 3.969 . 0 0 "[ . 1 . 2]" 1
1150 1 45 ARG H 1 45 ARG QG . . 3.730 3.495 3.358 3.598 . 0 0 "[ . 1 . 2]" 1
1151 1 45 ARG H 1 46 VAL QG . . 4.790 3.938 3.895 3.965 . 0 0 "[ . 1 . 2]" 1
1152 1 45 ARG HA 1 45 ARG QG . . 3.220 2.110 2.039 2.173 . 0 0 "[ . 1 . 2]" 1
1153 1 45 ARG HA 1 46 VAL QG . . 4.370 3.406 3.373 3.444 . 0 0 "[ . 1 . 2]" 1
1154 1 45 ARG QG 1 46 VAL H . . 4.260 3.489 3.163 3.920 . 0 0 "[ . 1 . 2]" 1
1155 1 45 ARG QG 1 54 GLY H . . 5.090 4.307 3.934 4.988 . 0 0 "[ . 1 . 2]" 1
1156 1 45 ARG QG 1 55 TYR HA . . 3.960 3.249 2.998 3.402 . 0 0 "[ . 1 . 2]" 1
1157 1 46 VAL QG 1 47 GLN H . . 3.440 2.997 2.935 3.073 . 0 0 "[ . 1 . 2]" 1
1158 1 46 VAL QG 1 47 GLN HB3 . . 5.260 4.800 4.746 4.863 . 0 0 "[ . 1 . 2]" 1
1159 1 46 VAL QG 1 53 GLU HA . . 4.290 4.175 4.049 4.274 . 0 0 "[ . 1 . 2]" 1
1160 1 46 VAL QG 1 55 TYR QD . . 5.440 5.504 5.466 5.535 0.095 8 0 "[ . 1 . 2]" 1
1161 1 46 VAL QG 1 56 VAL H . . 4.040 3.710 3.604 3.770 . 0 0 "[ . 1 . 2]" 1
1162 1 46 VAL QG 1 56 VAL QG . . 3.340 1.720 1.637 1.803 . 0 0 "[ . 1 . 2]" 1
1163 1 47 GLN H 1 47 GLN QG . . 4.730 3.992 3.961 4.135 . 0 0 "[ . 1 . 2]" 1
1164 1 47 GLN HA 1 47 GLN QG . . 3.330 2.497 2.477 2.541 . 0 0 "[ . 1 . 2]" 1
1165 1 47 GLN QG 1 48 ASP H . . 3.320 2.311 2.057 2.458 . 0 0 "[ . 1 . 2]" 1
1166 1 47 GLN QG 1 51 GLY H . . 4.290 3.406 3.193 3.486 . 0 0 "[ . 1 . 2]" 1
1167 1 47 GLN QG 1 53 GLU HA . . 4.470 3.453 3.215 3.536 . 0 0 "[ . 1 . 2]" 1
1168 1 47 GLN QG 1 53 GLU HG2 . . 3.310 2.914 1.966 3.732 0.422 5 0 "[ . 1 . 2]" 1
1169 1 48 ASP H 1 48 ASP QB . . 3.330 2.431 2.149 2.685 . 0 0 "[ . 1 . 2]" 1
1170 1 48 ASP QB 1 49 ARG H . . 2.920 2.032 1.919 2.506 . 0 0 "[ . 1 . 2]" 1
1171 1 48 ASP QB 1 49 ARG HA . . 5.330 4.252 4.188 4.378 . 0 0 "[ . 1 . 2]" 1
1172 1 48 ASP QB 1 50 ASN H . . 3.390 2.499 2.135 2.981 . 0 0 "[ . 1 . 2]" 1
1173 1 48 ASP QB 1 50 ASN QD . . 4.360 2.005 1.919 2.077 . 0 0 "[ . 1 . 2]" 1
1174 1 48 ASP QB 1 51 GLY H . . 4.940 3.207 2.858 4.210 . 0 0 "[ . 1 . 2]" 1
1175 1 49 ARG H 1 49 ARG QB . . 2.960 2.629 2.346 2.759 . 0 0 "[ . 1 . 2]" 1
1176 1 49 ARG H 1 49 ARG QG . . 3.270 2.202 1.941 2.780 . 0 0 "[ . 1 . 2]" 1
1177 1 49 ARG HA 1 49 ARG QG . . 3.520 3.113 2.267 3.379 . 0 0 "[ . 1 . 2]" 1
1178 1 49 ARG QB 1 49 ARG QG . . 2.370 2.051 1.995 2.083 . 0 0 "[ . 1 . 2]" 1
1179 1 49 ARG QB 1 50 ASN H . . 4.450 3.890 3.611 4.014 . 0 0 "[ . 1 . 2]" 1
1180 1 49 ARG QG 1 50 ASN H . . 4.760 3.709 3.305 4.601 . 0 0 "[ . 1 . 2]" 1
1181 1 49 ARG QG 1 50 ASN QD . . 5.160 3.006 2.310 4.583 . 0 0 "[ . 1 . 2]" 1
1182 1 50 ASN H 1 51 GLY QA . . 4.770 3.948 3.944 3.952 . 0 0 "[ . 1 . 2]" 1
1183 1 57 PRO HA 1 58 SER QB . . 5.340 4.103 4.086 4.135 . 0 0 "[ . 1 . 2]" 1
1184 1 57 PRO HB2 1 59 SER QB . . 5.210 3.204 2.752 4.134 . 0 0 "[ . 1 . 2]" 1
1185 1 58 SER H 1 58 SER QB . . 3.180 2.260 2.169 2.293 . 0 0 "[ . 1 . 2]" 1
1186 1 58 SER QB 1 59 SER H . . 3.630 3.035 2.807 3.518 . 0 0 "[ . 1 . 2]" 1
1187 1 58 SER QB 1 59 SER HA . . 5.040 4.249 4.044 4.715 . 0 0 "[ . 1 . 2]" 1
1188 1 58 SER QB 1 61 LEU QD . . 3.340 4.062 3.851 4.169 0.829 18 20 [*****************+*-] 1
1189 1 59 SER H 1 59 SER QB . . 3.040 2.133 2.049 2.837 . 0 0 "[ . 1 . 2]" 1
1190 1 59 SER QB 1 60 TYR H . . 3.880 3.097 2.924 3.514 . 0 0 "[ . 1 . 2]" 1
1191 1 61 LEU QD 1 63 GLU QG . . 5.340 5.636 5.146 5.909 0.569 10 7 "[ . * + * *-** 2]" 1
1192 1 62 VAL H 1 62 VAL QG . . 3.100 2.404 2.102 2.751 . 0 0 "[ . 1 . 2]" 1
1193 1 62 VAL HA 1 63 GLU QG . . 5.270 4.992 4.416 5.333 0.063 12 0 "[ . 1 . 2]" 1
1194 1 62 VAL QG 1 63 GLU H . . 3.330 2.422 2.130 2.622 . 0 0 "[ . 1 . 2]" 1
1195 1 62 VAL QG 1 63 GLU HB3 . . 4.860 4.198 3.915 4.584 . 0 0 "[ . 1 . 2]" 1
1196 1 63 GLU H 1 63 GLU QG . . 3.500 3.339 2.809 3.669 0.169 12 0 "[ . 1 . 2]" 1
1197 1 63 GLU HA 1 63 GLU QG . . 3.490 2.168 2.029 2.286 . 0 0 "[ . 1 . 2]" 1
1198 1 64 LYS QG 1 65 SER H . . 3.590 3.450 3.257 3.569 . 0 0 "[ . 1 . 2]" 1
1199 1 65 SER H 1 65 SER QB . . 3.170 2.766 2.297 3.135 . 0 0 "[ . 1 . 2]" 1
1200 1 65 SER H 1 66 PRO QD . . 4.230 4.011 2.449 4.370 0.140 14 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 769
_Distance_constraint_stats_list.Viol_total 3234.150
_Distance_constraint_stats_list.Viol_max 1.035
_Distance_constraint_stats_list.Viol_rms 0.2318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2021
_Distance_constraint_stats_list.Viol_average_violations_only 0.2103
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 9 THR 6.937 0.430 12 0 "[ . 1 . 2]"
1 10 VAL 0.807 0.045 9 0 "[ . 1 . 2]"
1 11 VAL 11.083 0.230 17 0 "[ . 1 . 2]"
1 12 ILE 11.396 0.254 3 0 "[ . 1 . 2]"
1 13 ALA 2.316 0.212 3 0 "[ . 1 . 2]"
1 31 GLU 2.316 0.212 3 0 "[ . 1 . 2]"
1 33 TYR 11.083 0.230 17 0 "[ . 1 . 2]"
1 34 CYS 10.021 0.203 12 0 "[ . 1 . 2]"
1 35 LEU 6.937 0.430 12 0 "[ . 1 . 2]"
1 36 LEU 1.217 0.048 16 0 "[ . 1 . 2]"
1 37 ASP 3.218 0.201 12 0 "[ . 1 . 2]"
1 40 GLU 16.262 0.467 2 0 "[ . 1 . 2]"
1 41 ILE 37.525 1.035 4 20 [***+**************-*]
1 43 TRP 16.262 0.467 2 0 "[ . 1 . 2]"
1 44 TRP 11.123 0.223 12 0 "[ . 1 . 2]"
1 45 ARG 4.435 0.201 12 0 "[ . 1 . 2]"
1 46 VAL 16.869 0.262 15 0 "[ . 1 . 2]"
1 47 GLN 10.021 0.203 12 0 "[ . 1 . 2]"
1 48 ASP 3.544 0.250 17 0 "[ . 1 . 2]"
1 52 HIS 3.544 0.250 17 0 "[ . 1 . 2]"
1 54 GLY 16.869 0.262 15 0 "[ . 1 . 2]"
1 56 VAL 11.123 0.223 12 0 "[ . 1 . 2]"
1 57 PRO 27.579 0.866 13 19 "[************+***-* *]"
1 58 SER 39.335 1.035 4 20 [***+**************-*]
1 60 TYR 27.579 0.866 13 19 "[************+***-* *]"
1 61 LEU 1.810 0.146 13 0 "[ . 1 . 2]"
1 62 VAL 11.396 0.254 3 0 "[ . 1 . 2]"
1 64 LYS 0.807 0.045 9 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 11 VAL H 1 33 TYR O . . 1.800 1.958 1.922 1.987 0.187 20 0 "[ . 1 . 2]" 2
2 1 11 VAL N 1 33 TYR O . . 2.700 2.892 2.855 2.930 0.230 17 0 "[ . 1 . 2]" 2
3 1 12 ILE H 1 62 VAL O . . 1.800 1.836 1.792 1.894 0.094 18 0 "[ . 1 . 2]" 2
4 1 12 ILE N 1 62 VAL O . . 2.700 2.775 2.725 2.832 0.132 15 0 "[ . 1 . 2]" 2
5 1 13 ALA H 1 31 GLU O . . 1.800 1.830 1.798 1.977 0.177 3 0 "[ . 1 . 2]" 2
6 1 13 ALA N 1 31 GLU O . . 2.700 2.785 2.749 2.912 0.212 3 0 "[ . 1 . 2]" 2
7 1 11 VAL O 1 33 TYR H . . 1.800 1.950 1.913 1.986 0.186 17 0 "[ . 1 . 2]" 2
8 1 11 VAL O 1 33 TYR N . . 2.700 2.754 2.735 2.791 0.091 17 0 "[ . 1 . 2]" 2
9 1 34 CYS H 1 47 GLN O . . 1.800 1.950 1.878 2.003 0.203 5 0 "[ . 1 . 2]" 2
10 1 34 CYS N 1 47 GLN O . . 2.700 2.777 2.746 2.868 0.168 16 0 "[ . 1 . 2]" 2
11 1 9 THR O 1 35 LEU H . . 1.800 2.051 1.963 2.230 0.430 12 0 "[ . 1 . 2]" 2
12 1 9 THR O 1 35 LEU N . . 2.700 2.796 2.745 2.980 0.280 12 0 "[ . 1 . 2]" 2
13 1 36 LEU H 1 45 ARG O . . 1.800 1.820 1.801 1.838 0.038 17 0 "[ . 1 . 2]" 2
14 1 36 LEU N 1 45 ARG O . . 2.700 2.741 2.733 2.748 0.048 16 0 "[ . 1 . 2]" 2
15 1 40 GLU O 1 43 TRP H . . 1.800 2.250 2.217 2.267 0.467 2 0 "[ . 1 . 2]" 2
16 1 40 GLU O 1 43 TRP N . . 2.700 3.063 3.005 3.093 0.393 7 0 "[ . 1 . 2]" 2
17 1 44 TRP H 1 56 VAL O . . 1.800 1.942 1.918 1.986 0.186 12 0 "[ . 1 . 2]" 2
18 1 44 TRP N 1 56 VAL O . . 2.700 2.751 2.725 2.781 0.081 12 0 "[ . 1 . 2]" 2
19 1 37 ASP O 1 45 ARG H . . 1.800 1.912 1.854 2.001 0.201 12 0 "[ . 1 . 2]" 2
20 1 37 ASP O 1 45 ARG N . . 2.700 2.749 2.743 2.787 0.087 12 0 "[ . 1 . 2]" 2
21 1 46 VAL H 1 54 GLY O . . 1.800 2.004 2.001 2.008 0.208 1 0 "[ . 1 . 2]" 2
22 1 46 VAL N 1 54 GLY O . . 2.700 2.947 2.927 2.962 0.262 15 0 "[ . 1 . 2]" 2
23 1 34 CYS O 1 47 GLN N . . 2.700 2.787 2.749 2.837 0.137 18 0 "[ . 1 . 2]" 2
24 1 34 CYS O 1 47 GLN H . . 1.800 1.988 1.905 2.003 0.203 12 0 "[ . 1 . 2]" 2
25 1 48 ASP H 1 52 HIS O . . 1.800 1.862 1.799 2.002 0.202 7 0 "[ . 1 . 2]" 2
26 1 48 ASP N 1 52 HIS O . . 2.700 2.815 2.751 2.950 0.250 17 0 "[ . 1 . 2]" 2
27 1 46 VAL O 1 54 GLY H . . 1.800 1.979 1.890 2.005 0.205 17 0 "[ . 1 . 2]" 2
28 1 46 VAL O 1 54 GLY N . . 2.700 2.914 2.844 2.948 0.248 17 0 "[ . 1 . 2]" 2
29 1 44 TRP O 1 56 VAL H . . 1.800 2.016 2.012 2.023 0.223 12 0 "[ . 1 . 2]" 2
30 1 44 TRP O 1 56 VAL N . . 2.700 2.846 2.824 2.882 0.182 13 0 "[ . 1 . 2]" 2
31 1 41 ILE O 1 58 SER H . . 1.800 2.707 2.581 2.760 0.960 4 20 [***+**************-*] 2
32 1 41 ILE O 1 58 SER N . . 2.700 3.669 3.488 3.735 1.035 4 20 [***+**************-*] 2
33 1 57 PRO O 1 60 TYR N . . 2.700 3.388 3.134 3.566 0.866 13 18 "[************+**- * *]" 2
34 1 57 PRO O 1 60 TYR H . . 1.800 2.491 2.195 2.661 0.861 13 19 "[************+***-* *]" 2
35 1 58 SER O 1 61 LEU H . . 1.800 1.839 1.810 1.940 0.140 13 0 "[ . 1 . 2]" 2
36 1 58 SER O 1 61 LEU N . . 2.700 2.751 2.738 2.846 0.146 13 0 "[ . 1 . 2]" 2
37 1 12 ILE O 1 62 VAL H . . 1.800 2.010 2.002 2.020 0.220 3 0 "[ . 1 . 2]" 2
38 1 12 ILE O 1 62 VAL N . . 2.700 2.945 2.934 2.954 0.254 3 0 "[ . 1 . 2]" 2
39 1 10 VAL O 1 64 LYS H . . 1.800 1.800 1.791 1.824 0.024 3 0 "[ . 1 . 2]" 2
40 1 10 VAL O 1 64 LYS N . . 2.700 2.737 2.729 2.745 0.045 9 0 "[ . 1 . 2]" 2
stop_
save_
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