NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463562 |
2rq8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rq8
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 1211
_Distance_constraint_stats_list.Viol_count 1397
_Distance_constraint_stats_list.Viol_total 730.539
_Distance_constraint_stats_list.Viol_max 0.479
_Distance_constraint_stats_list.Viol_rms 0.0102
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0261
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 0.518 0.057 20 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.462 0.045 9 0 "[ . 1 . 2]"
1 6 GLU 0.807 0.065 16 0 "[ . 1 . 2]"
1 7 LYS 0.010 0.010 9 0 "[ . 1 . 2]"
1 8 PRO 0.047 0.025 18 0 "[ . 1 . 2]"
1 9 LEU 0.263 0.040 17 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.294 0.037 8 0 "[ . 1 . 2]"
1 12 VAL 1.100 0.070 9 0 "[ . 1 . 2]"
1 13 GLU 0.053 0.019 2 0 "[ . 1 . 2]"
1 14 VAL 1.045 0.053 17 0 "[ . 1 . 2]"
1 15 PHE 0.917 0.053 13 0 "[ . 1 . 2]"
1 16 VAL 0.996 0.067 2 0 "[ . 1 . 2]"
1 17 GLY 0.064 0.032 9 0 "[ . 1 . 2]"
1 18 GLU 1.657 0.067 13 0 "[ . 1 . 2]"
1 19 THR 1.872 0.137 6 0 "[ . 1 . 2]"
1 20 ALA 2.095 0.117 6 0 "[ . 1 . 2]"
1 21 HIS 0.488 0.080 8 0 "[ . 1 . 2]"
1 22 PHE 1.236 0.107 14 0 "[ . 1 . 2]"
1 23 GLU 0.042 0.040 17 0 "[ . 1 . 2]"
1 24 ILE 2.338 0.114 12 0 "[ . 1 . 2]"
1 25 GLU 3.086 0.114 12 0 "[ . 1 . 2]"
1 26 LEU 1.143 0.341 17 0 "[ . 1 . 2]"
1 27 SER 1.053 0.065 16 0 "[ . 1 . 2]"
1 28 GLU 0.607 0.085 12 0 "[ . 1 . 2]"
1 29 PRO 0.531 0.269 19 0 "[ . 1 . 2]"
1 30 ASP 0.988 0.269 19 0 "[ . 1 . 2]"
1 31 VAL 0.985 0.187 10 0 "[ . 1 . 2]"
1 32 HIS 0.265 0.227 19 0 "[ . 1 . 2]"
1 33 GLY 0.460 0.227 19 0 "[ . 1 . 2]"
1 34 GLN 0.091 0.034 10 0 "[ . 1 . 2]"
1 35 TRP 3.185 0.072 18 0 "[ . 1 . 2]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.076 0.020 13 0 "[ . 1 . 2]"
1 38 LYS 0.306 0.105 8 0 "[ . 1 . 2]"
1 39 GLY 0.071 0.020 13 0 "[ . 1 . 2]"
1 40 GLN 0.114 0.018 11 0 "[ . 1 . 2]"
1 41 PRO 0.007 0.005 10 0 "[ . 1 . 2]"
1 42 LEU 0.125 0.101 11 0 "[ . 1 . 2]"
1 43 ALA 0.950 0.059 8 0 "[ . 1 . 2]"
1 44 ALA 0.475 0.031 15 0 "[ . 1 . 2]"
1 45 SER 0.085 0.019 15 0 "[ . 1 . 2]"
1 46 PRO 0.103 0.018 11 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.386 0.043 11 0 "[ . 1 . 2]"
1 49 GLU 0.381 0.050 8 0 "[ . 1 . 2]"
1 50 ILE 0.471 0.048 19 0 "[ . 1 . 2]"
1 51 ILE 1.660 0.091 19 0 "[ . 1 . 2]"
1 52 GLU 0.135 0.037 2 0 "[ . 1 . 2]"
1 53 ASP 0.485 0.091 19 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 2.252 0.105 12 0 "[ . 1 . 2]"
1 56 LYS 1.418 0.359 18 0 "[ . 1 . 2]"
1 57 HIS 2.520 0.341 17 0 "[ . 1 . 2]"
1 58 ILE 1.718 0.075 13 0 "[ . 1 . 2]"
1 59 LEU 1.044 0.057 5 0 "[ . 1 . 2]"
1 60 ILE 2.532 0.117 6 0 "[ . 1 . 2]"
1 61 LEU 0.312 0.043 11 0 "[ . 1 . 2]"
1 62 HIS 1.460 0.227 14 0 "[ . 1 . 2]"
1 63 ASN 2.065 0.227 14 0 "[ . 1 . 2]"
1 64 CYS 1.643 0.479 12 0 "[ . 1 . 2]"
1 65 GLN 0.828 0.479 12 0 "[ . 1 . 2]"
1 66 LEU 0.027 0.027 9 0 "[ . 1 . 2]"
1 67 GLY 0.044 0.026 5 0 "[ . 1 . 2]"
1 68 MET 0.295 0.118 4 0 "[ . 1 . 2]"
1 69 THR 0.597 0.118 4 0 "[ . 1 . 2]"
1 70 GLY 0.667 0.064 9 0 "[ . 1 . 2]"
1 71 GLU 0.591 0.064 9 0 "[ . 1 . 2]"
1 72 VAL 0.615 0.072 18 0 "[ . 1 . 2]"
1 73 SER 0.454 0.030 13 0 "[ . 1 . 2]"
1 74 PHE 1.905 0.050 19 0 "[ . 1 . 2]"
1 75 GLN 0.967 0.180 7 0 "[ . 1 . 2]"
1 76 ALA 0.299 0.075 2 0 "[ . 1 . 2]"
1 77 ALA 0.937 0.274 15 0 "[ . 1 . 2]"
1 78 ASN 0.202 0.090 15 0 "[ . 1 . 2]"
1 79 THR 1.794 0.274 15 0 "[ . 1 . 2]"
1 80 LYS 1.680 0.191 7 0 "[ . 1 . 2]"
1 81 SER 0.745 0.191 7 0 "[ . 1 . 2]"
1 82 ALA 0.764 0.041 9 0 "[ . 1 . 2]"
1 83 ALA 1.971 0.107 14 0 "[ . 1 . 2]"
1 84 ASN 0.253 0.169 9 0 "[ . 1 . 2]"
1 85 LEU 0.910 0.070 9 0 "[ . 1 . 2]"
1 86 LYS 0.443 0.041 12 0 "[ . 1 . 2]"
1 87 VAL 0.564 0.053 8 0 "[ . 1 . 2]"
1 88 LYS 0.938 0.107 20 0 "[ . 1 . 2]"
1 89 GLU 0.214 0.041 13 0 "[ . 1 . 2]"
1 90 LEU 0.155 0.039 20 0 "[ . 1 . 2]"
1 91 LEU 0.033 0.018 13 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 2 LEU HA 1 2 LEU MD1 . . 4.500 2.927 1.976 4.097 . 0 0 "[ . 1 . 2]" 1
2 1 2 LEU HA 1 2 LEU QD . . 3.720 2.359 1.881 3.383 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU HA 1 2 LEU MD2 . . 4.500 2.836 2.131 4.011 . 0 0 "[ . 1 . 2]" 1
4 1 2 LEU HA 1 3 ILE H . . 2.870 2.342 2.141 2.655 . 0 0 "[ . 1 . 2]" 1
5 1 2 LEU QD 1 3 ILE H . . 3.760 3.207 2.659 3.672 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE H 1 3 ILE HB . . 3.390 2.573 2.384 2.835 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE H 1 3 ILE QG . . 3.750 2.590 2.002 3.254 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE HA 1 3 ILE MD . . 3.930 2.388 1.972 3.806 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE HA 1 3 ILE HG12 . . 4.160 2.909 2.443 3.071 . 0 0 "[ . 1 . 2]" 1
10 1 3 ILE HA 1 3 ILE HG13 . . 4.160 3.559 2.835 3.756 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE HA 1 3 ILE MG . . 3.550 2.341 2.256 2.462 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE HA 1 4 GLU H . . 2.960 2.176 2.140 2.264 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE HA 1 4 GLU HA . . 4.630 4.407 4.390 4.438 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE HA 1 28 GLU QG . . 5.310 4.171 3.063 5.318 0.008 7 0 "[ . 1 . 2]" 1
15 1 3 ILE HB 1 3 ILE MD . . 3.680 3.055 2.341 3.231 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE HB 1 77 ALA MB . . 4.130 3.591 3.205 4.139 0.009 16 0 "[ . 1 . 2]" 1
17 1 3 ILE HB 1 79 THR MG . . 4.220 3.858 3.112 4.171 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE MD 1 3 ILE MG . . 2.510 2.034 1.918 2.090 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE MD 1 26 LEU HB2 . . 5.500 5.468 5.253 5.530 0.030 16 0 "[ . 1 . 2]" 1
20 1 3 ILE MD 1 26 LEU HB3 . . 4.710 4.134 3.835 4.374 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE MD 1 28 GLU HA . . 5.470 5.095 4.561 5.496 0.026 7 0 "[ . 1 . 2]" 1
22 1 3 ILE MD 1 28 GLU QB . . 3.970 2.770 2.248 3.279 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE MD 1 28 GLU HG2 . . 4.930 3.170 1.986 4.940 0.010 20 0 "[ . 1 . 2]" 1
24 1 3 ILE MD 1 28 GLU QG . . 4.180 2.446 1.954 3.652 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE MD 1 28 GLU HG3 . . 4.930 3.038 1.994 4.076 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE MD 1 77 ALA MB . . 3.610 2.656 1.825 3.602 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE QG 1 3 ILE MG . . 3.300 2.270 2.214 2.353 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE QG 1 28 GLU QG . . 4.530 3.997 2.497 4.564 0.034 12 0 "[ . 1 . 2]" 1
29 1 3 ILE QG 1 77 ALA MB . . 4.390 2.445 1.895 4.068 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE MG 1 4 GLU H . . 3.700 2.628 2.150 3.368 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE MG 1 4 GLU HA . . 4.580 3.584 3.244 3.943 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE MG 1 26 LEU HB2 . . 4.850 4.650 4.271 4.871 0.021 17 0 "[ . 1 . 2]" 1
33 1 3 ILE MG 1 26 LEU HB3 . . 4.010 3.255 2.880 3.510 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE MG 1 77 ALA MB . . 4.160 2.520 1.909 3.482 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE MG 1 79 THR MG . . 3.000 2.973 2.654 3.057 0.057 20 0 "[ . 1 . 2]" 1
36 1 4 GLU H 1 4 GLU HB2 . . 3.990 3.100 2.354 3.908 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLU H 1 4 GLU QB . . 3.460 2.716 2.324 3.111 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLU H 1 4 GLU HB3 . . 3.990 3.297 2.728 3.896 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLU H 1 4 GLU HG2 . . 5.460 3.738 1.978 5.042 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLU H 1 4 GLU QG . . 4.680 3.215 1.963 4.292 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU H 1 4 GLU HG3 . . 5.460 3.765 2.612 4.648 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU HA 1 5 VAL H . . 2.870 2.166 2.152 2.320 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU HA 1 5 VAL QG . . 4.050 3.666 3.483 3.959 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU QB 1 5 VAL H . . 4.210 3.301 2.606 3.724 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL H 1 5 VAL HB . . 2.900 2.574 2.418 2.696 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL H 1 5 VAL MG1 . . 3.900 3.199 2.009 3.770 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL H 1 5 VAL QG . . 3.130 2.113 1.920 2.304 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL H 1 5 VAL MG2 . . 3.900 2.687 1.926 3.803 . 0 0 "[ . 1 . 2]" 1
49 1 5 VAL HA 1 5 VAL MG1 . . 3.240 2.651 2.288 3.204 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL HA 1 5 VAL MG2 . . 3.240 2.351 2.255 2.432 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL HA 1 6 GLU H . . 3.080 2.187 2.142 2.261 . 0 0 "[ . 1 . 2]" 1
52 1 5 VAL HA 1 7 LYS H . . 4.250 4.011 3.787 4.260 0.010 9 0 "[ . 1 . 2]" 1
53 1 5 VAL HA 1 26 LEU HA . . 3.600 2.433 2.195 2.797 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL HA 1 26 LEU HB3 . . 4.720 4.623 4.064 4.753 0.033 17 0 "[ . 1 . 2]" 1
55 1 5 VAL HA 1 79 THR MG . . 5.210 5.076 4.679 5.255 0.045 9 0 "[ . 1 . 2]" 1
56 1 5 VAL HB 1 6 GLU H . . 4.600 4.091 3.762 4.261 . 0 0 "[ . 1 . 2]" 1
57 1 5 VAL HB 1 8 PRO QD . . 4.440 3.495 2.549 4.432 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL HB 1 79 THR MG . . 5.050 4.770 4.134 5.090 0.040 14 0 "[ . 1 . 2]" 1
59 1 5 VAL QG 1 6 GLU H . . 3.530 2.406 2.047 2.854 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL QG 1 6 GLU QB . . 5.030 3.767 3.589 3.967 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL QG 1 7 LYS H . . 3.560 2.243 1.915 2.834 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL QG 1 7 LYS HA . . 4.790 3.562 3.418 3.826 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL QG 1 8 PRO HA . . 3.180 2.270 1.943 2.708 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL QG 1 8 PRO QB . . 3.780 1.947 1.759 2.214 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL QG 1 8 PRO QD . . 3.780 1.935 1.739 2.209 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL QG 1 26 LEU HA . . 3.900 3.333 3.070 3.725 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL QG 1 81 SER QB . . 4.500 3.493 2.212 4.521 0.021 3 0 "[ . 1 . 2]" 1
68 1 5 VAL MG1 1 8 PRO HA . . 4.490 2.852 1.949 4.279 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL MG1 1 8 PRO QD . . 4.350 2.016 1.891 2.323 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL MG2 1 8 PRO HA . . 4.490 3.446 1.977 4.485 . 0 0 "[ . 1 . 2]" 1
71 1 5 VAL MG2 1 8 PRO QD . . 4.350 3.455 1.934 4.375 0.025 18 0 "[ . 1 . 2]" 1
72 1 6 GLU H 1 6 GLU HB2 . . 4.070 2.326 2.108 2.578 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLU H 1 6 GLU QB . . 3.320 2.244 2.079 2.409 . 0 0 "[ . 1 . 2]" 1
74 1 6 GLU H 1 6 GLU HB3 . . 4.070 3.020 2.714 3.436 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLU H 1 6 GLU QG . . 4.860 3.913 3.090 4.195 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLU H 1 7 LYS H . . 3.110 2.315 2.006 2.938 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLU H 1 26 LEU HA . . 3.740 2.731 1.986 3.059 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLU HA 1 6 GLU QG . . 3.400 2.426 2.060 2.717 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLU HA 1 25 GLU HB2 . . 5.340 4.708 4.343 5.341 0.001 8 0 "[ . 1 . 2]" 1
80 1 6 GLU HA 1 27 SER QB . . 3.990 4.029 4.011 4.055 0.065 16 0 "[ . 1 . 2]" 1
81 1 6 GLU QB 1 7 LYS H . . 3.570 2.662 2.256 2.947 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLU QG 1 27 SER HA . . 4.340 3.883 3.232 4.351 0.011 9 0 "[ . 1 . 2]" 1
83 1 6 GLU QG 1 27 SER QB . . 4.010 2.390 1.873 3.214 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS H 1 8 PRO QD . . 4.530 3.097 2.835 3.311 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS H 1 24 ILE HA . . 5.280 4.754 4.524 5.268 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS H 1 25 GLU H . . 3.930 2.663 2.385 3.062 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS HA 1 8 PRO QD . . 3.610 1.963 1.889 2.010 . 0 0 "[ . 1 . 2]" 1
88 1 8 PRO HA 1 9 LEU H . . 3.030 2.511 2.159 2.646 . 0 0 "[ . 1 . 2]" 1
89 1 8 PRO QB 1 9 LEU H . . 3.380 2.329 2.033 3.278 . 0 0 "[ . 1 . 2]" 1
90 1 8 PRO QB 1 9 LEU QD . . 4.500 3.762 3.255 4.466 . 0 0 "[ . 1 . 2]" 1
91 1 8 PRO HB2 1 9 LEU H . . 4.070 2.384 2.056 3.492 . 0 0 "[ . 1 . 2]" 1
92 1 8 PRO HB3 1 9 LEU H . . 4.070 3.357 3.203 3.974 . 0 0 "[ . 1 . 2]" 1
93 1 8 PRO QD 1 9 LEU H . . 5.180 4.870 4.783 4.999 . 0 0 "[ . 1 . 2]" 1
94 1 9 LEU H 1 9 LEU QB . . 3.620 2.782 2.441 3.094 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU QB 1 23 GLU H . . 5.340 4.789 3.963 5.380 0.040 17 0 "[ . 1 . 2]" 1
96 1 9 LEU QD 1 10 PRO QD . . 4.800 4.036 3.645 4.226 . 0 0 "[ . 1 . 2]" 1
97 1 9 LEU QD 1 12 VAL H . . 4.810 4.379 3.443 4.835 0.025 4 0 "[ . 1 . 2]" 1
98 1 9 LEU QD 1 22 PHE HA . . 4.960 3.002 2.457 3.885 . 0 0 "[ . 1 . 2]" 1
99 1 9 LEU QD 1 22 PHE HB2 . . 5.080 3.869 3.545 4.439 . 0 0 "[ . 1 . 2]" 1
100 1 9 LEU QD 1 22 PHE HB3 . . 4.560 2.532 2.167 3.169 . 0 0 "[ . 1 . 2]" 1
101 1 9 LEU QD 1 22 PHE QD . . 2.820 2.038 1.890 2.372 . 0 0 "[ . 1 . 2]" 1
102 1 9 LEU QD 1 22 PHE QE . . 3.870 3.517 2.738 3.856 . 0 0 "[ . 1 . 2]" 1
103 1 9 LEU QD 1 23 GLU H . . 4.900 2.742 1.897 4.082 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU QD 1 23 GLU HA . . 5.440 4.225 3.657 5.102 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU QD 1 24 ILE H . . 5.440 4.392 4.036 4.908 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU QD 1 24 ILE MD . . 4.150 3.715 3.575 3.975 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU QD 1 35 TRP HE3 . . 5.440 4.585 4.182 4.855 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU QD 1 35 TRP HZ3 . . 3.020 2.843 2.406 3.034 0.014 8 0 "[ . 1 . 2]" 1
109 1 9 LEU QD 1 74 PHE HB2 . . 4.950 4.348 4.143 4.742 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU QD 1 81 SER QB . . 4.340 3.940 3.431 4.374 0.034 8 0 "[ . 1 . 2]" 1
111 1 9 LEU MD1 1 22 PHE QD . . 3.980 3.162 1.934 3.980 0.000 4 0 "[ . 1 . 2]" 1
112 1 9 LEU MD1 1 35 TRP HZ3 . . 4.070 3.179 2.439 4.087 0.017 8 0 "[ . 1 . 2]" 1
113 1 9 LEU MD1 1 83 ALA MB . . 3.770 2.065 1.813 2.674 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU MD2 1 22 PHE QD . . 3.980 2.373 1.899 3.742 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU MD2 1 35 TRP HZ3 . . 4.070 3.498 3.076 4.087 0.017 2 0 "[ . 1 . 2]" 1
116 1 9 LEU MD2 1 83 ALA MB . . 3.770 3.400 2.859 3.784 0.014 17 0 "[ . 1 . 2]" 1
117 1 10 PRO HA 1 83 ALA MB . . 5.140 4.285 3.476 5.129 . 0 0 "[ . 1 . 2]" 1
118 1 10 PRO QB 1 11 GLY H . . 4.040 3.571 3.307 3.617 . 0 0 "[ . 1 . 2]" 1
119 1 10 PRO QG 1 11 GLY H . . 3.920 2.962 2.500 3.046 . 0 0 "[ . 1 . 2]" 1
120 1 10 PRO QG 1 11 GLY QA . . 4.760 3.984 3.913 4.078 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLY H 1 12 VAL HB . . 5.500 5.441 5.208 5.537 0.037 8 0 "[ . 1 . 2]" 1
122 1 11 GLY H 1 83 ALA MB . . 4.350 4.041 3.811 4.360 0.010 13 0 "[ . 1 . 2]" 1
123 1 11 GLY QA 1 12 VAL H . . 2.850 2.150 2.111 2.206 . 0 0 "[ . 1 . 2]" 1
124 1 11 GLY QA 1 83 ALA MB . . 4.140 3.913 2.743 4.176 0.036 3 0 "[ . 1 . 2]" 1
125 1 11 GLY QA 1 84 ASN H . . 5.030 3.687 2.804 4.110 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLY HA2 1 12 VAL H . . 3.460 2.175 2.138 2.232 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLY HA3 1 12 VAL H . . 3.460 3.379 3.266 3.461 0.001 20 0 "[ . 1 . 2]" 1
128 1 12 VAL H 1 12 VAL HB . . 3.350 2.574 2.467 2.683 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL H 1 12 VAL MG1 . . 4.460 3.816 3.771 3.868 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL H 1 12 VAL MG2 . . 3.780 2.566 2.340 2.910 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL H 1 83 ALA MB . . 3.900 3.905 3.737 3.959 0.059 9 0 "[ . 1 . 2]" 1
132 1 12 VAL H 1 85 LEU HA . . 4.170 3.499 3.100 3.953 . 0 0 "[ . 1 . 2]" 1
133 1 12 VAL H 1 85 LEU QD . . 4.980 4.240 3.550 5.050 0.070 9 0 "[ . 1 . 2]" 1
134 1 12 VAL H 1 86 LYS H . . 5.180 4.194 3.908 4.969 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL HA 1 12 VAL MG2 . . 3.560 2.359 2.262 2.418 . 0 0 "[ . 1 . 2]" 1
136 1 12 VAL HA 1 22 PHE QE . . 5.500 5.042 4.698 5.440 . 0 0 "[ . 1 . 2]" 1
137 1 12 VAL HB 1 14 VAL QG . . 4.210 3.854 3.655 4.114 . 0 0 "[ . 1 . 2]" 1
138 1 12 VAL HB 1 22 PHE QD . . 3.770 3.698 2.906 3.802 0.032 7 0 "[ . 1 . 2]" 1
139 1 12 VAL HB 1 22 PHE QE . . 3.750 2.354 2.029 2.652 . 0 0 "[ . 1 . 2]" 1
140 1 12 VAL HB 1 85 LEU HA . . 4.630 3.174 2.700 4.634 0.004 8 0 "[ . 1 . 2]" 1
141 1 12 VAL MG1 1 13 GLU H . . 3.480 2.158 1.917 2.593 . 0 0 "[ . 1 . 2]" 1
142 1 12 VAL MG1 1 22 PHE H . . 5.500 5.068 4.794 5.393 . 0 0 "[ . 1 . 2]" 1
143 1 12 VAL MG1 1 22 PHE QD . . 4.030 2.788 2.370 3.760 . 0 0 "[ . 1 . 2]" 1
144 1 12 VAL MG1 1 22 PHE QE . . 3.960 2.575 2.272 3.448 . 0 0 "[ . 1 . 2]" 1
145 1 12 VAL MG2 1 13 GLU H . . 4.240 3.938 3.851 4.027 . 0 0 "[ . 1 . 2]" 1
146 1 12 VAL MG2 1 22 PHE HA . . 4.730 3.336 2.841 3.551 . 0 0 "[ . 1 . 2]" 1
147 1 12 VAL MG2 1 22 PHE QD . . 3.200 2.145 1.936 2.561 . 0 0 "[ . 1 . 2]" 1
148 1 12 VAL MG2 1 22 PHE QE . . 3.370 2.657 2.143 3.365 . 0 0 "[ . 1 . 2]" 1
149 1 12 VAL MG2 1 23 GLU H . . 4.310 4.057 3.500 4.272 . 0 0 "[ . 1 . 2]" 1
150 1 12 VAL MG2 1 83 ALA MB . . 4.510 3.117 2.747 4.329 . 0 0 "[ . 1 . 2]" 1
151 1 13 GLU H 1 13 GLU HB2 . . 4.190 3.397 2.437 3.826 . 0 0 "[ . 1 . 2]" 1
152 1 13 GLU H 1 13 GLU QB . . 3.670 2.798 2.401 3.074 . 0 0 "[ . 1 . 2]" 1
153 1 13 GLU H 1 13 GLU HB3 . . 4.190 3.143 2.526 3.833 . 0 0 "[ . 1 . 2]" 1
154 1 13 GLU H 1 13 GLU QG . . 4.410 2.786 2.008 4.210 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLU HA 1 14 VAL H . . 2.710 2.170 2.142 2.199 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLU HA 1 85 LEU MD1 . . 5.270 4.343 3.171 5.279 0.009 14 0 "[ . 1 . 2]" 1
157 1 13 GLU HA 1 85 LEU MD2 . . 5.270 3.872 3.057 5.289 0.019 2 0 "[ . 1 . 2]" 1
158 1 13 GLU HA 1 86 LYS H . . 3.570 2.999 2.264 3.589 0.019 6 0 "[ . 1 . 2]" 1
159 1 13 GLU HA 1 86 LYS HB2 . . 4.920 4.141 3.394 4.767 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLU HA 1 86 LYS QB . . 4.280 2.558 2.090 3.059 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLU HA 1 86 LYS HB3 . . 4.920 2.583 2.109 3.096 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLU HA 1 86 LYS QG . . 5.220 4.297 3.739 4.889 . 0 0 "[ . 1 . 2]" 1
163 1 13 GLU QB 1 14 VAL H . . 4.230 3.197 2.954 3.744 . 0 0 "[ . 1 . 2]" 1
164 1 13 GLU QG 1 14 VAL H . . 4.710 3.872 2.333 4.491 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL H 1 14 VAL QG . . 3.230 2.203 2.032 2.563 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL H 1 86 LYS H . . 4.400 3.971 3.468 4.393 . 0 0 "[ . 1 . 2]" 1
167 1 14 VAL H 1 86 LYS QG . . 5.290 4.678 4.034 5.309 0.019 3 0 "[ . 1 . 2]" 1
168 1 14 VAL H 1 87 VAL HA . . 3.830 3.448 3.011 3.853 0.023 4 0 "[ . 1 . 2]" 1
169 1 14 VAL H 1 87 VAL QG . . 4.960 4.342 3.818 4.696 . 0 0 "[ . 1 . 2]" 1
170 1 14 VAL H 1 88 LYS H . . 4.190 3.752 3.152 4.209 0.019 13 0 "[ . 1 . 2]" 1
171 1 14 VAL HA 1 14 VAL QG . . 3.130 2.291 1.975 2.348 . 0 0 "[ . 1 . 2]" 1
172 1 14 VAL HA 1 15 PHE H . . 3.090 2.405 2.208 2.499 . 0 0 "[ . 1 . 2]" 1
173 1 14 VAL HA 1 15 PHE HA . . 4.880 4.328 4.308 4.376 . 0 0 "[ . 1 . 2]" 1
174 1 14 VAL HA 1 15 PHE QD . . 4.860 4.646 3.481 4.876 0.016 16 0 "[ . 1 . 2]" 1
175 1 14 VAL HA 1 20 ALA MB . . 5.500 5.454 5.113 5.551 0.051 17 0 "[ . 1 . 2]" 1
176 1 14 VAL HB 1 15 PHE H . . 3.360 2.448 2.180 3.123 . 0 0 "[ . 1 . 2]" 1
177 1 14 VAL HB 1 18 GLU HB2 . . 4.770 4.745 4.316 4.823 0.053 17 0 "[ . 1 . 2]" 1
178 1 14 VAL HB 1 20 ALA HA . . 4.790 3.037 2.835 4.192 . 0 0 "[ . 1 . 2]" 1
179 1 14 VAL HB 1 85 LEU QD . . 5.270 3.849 3.496 4.326 . 0 0 "[ . 1 . 2]" 1
180 1 14 VAL QG 1 15 PHE HA . . 4.910 4.118 3.875 4.367 . 0 0 "[ . 1 . 2]" 1
181 1 14 VAL QG 1 15 PHE QD . . 5.440 4.911 3.892 5.195 . 0 0 "[ . 1 . 2]" 1
182 1 14 VAL QG 1 16 VAL H . . 5.290 5.088 4.935 5.295 0.005 16 0 "[ . 1 . 2]" 1
183 1 14 VAL QG 1 17 GLY H . . 5.440 4.715 4.564 5.237 . 0 0 "[ . 1 . 2]" 1
184 1 14 VAL QG 1 18 GLU HB2 . . 4.860 4.728 2.906 4.889 0.029 6 0 "[ . 1 . 2]" 1
185 1 14 VAL QG 1 20 ALA MB . . 3.470 2.369 1.939 2.493 . 0 0 "[ . 1 . 2]" 1
186 1 14 VAL QG 1 85 LEU HA . . 5.440 4.255 4.036 4.765 . 0 0 "[ . 1 . 2]" 1
187 1 14 VAL QG 1 85 LEU QD . . 4.230 1.790 1.637 2.438 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL MG1 1 20 ALA HA . . 4.010 1.982 1.898 2.382 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL MG2 1 20 ALA HA . . 4.010 3.456 2.428 3.852 . 0 0 "[ . 1 . 2]" 1
190 1 15 PHE H 1 15 PHE HB2 . . 3.780 2.238 2.132 2.356 . 0 0 "[ . 1 . 2]" 1
191 1 15 PHE H 1 15 PHE QB . . 3.150 2.214 2.110 2.324 . 0 0 "[ . 1 . 2]" 1
192 1 15 PHE H 1 15 PHE HB3 . . 3.780 3.507 3.359 3.568 . 0 0 "[ . 1 . 2]" 1
193 1 15 PHE H 1 15 PHE QD . . 3.740 3.347 2.826 3.560 . 0 0 "[ . 1 . 2]" 1
194 1 15 PHE H 1 16 VAL H . . 4.620 4.564 4.452 4.618 . 0 0 "[ . 1 . 2]" 1
195 1 15 PHE H 1 18 GLU H . . 5.460 4.939 4.183 5.456 . 0 0 "[ . 1 . 2]" 1
196 1 15 PHE H 1 18 GLU HB2 . . 3.980 3.515 3.156 3.835 . 0 0 "[ . 1 . 2]" 1
197 1 15 PHE HA 1 15 PHE QD . . 3.060 2.234 1.998 2.961 . 0 0 "[ . 1 . 2]" 1
198 1 15 PHE HA 1 15 PHE QE . . 4.520 4.238 4.189 4.431 . 0 0 "[ . 1 . 2]" 1
199 1 15 PHE HA 1 16 VAL H . . 2.940 2.500 2.353 2.628 . 0 0 "[ . 1 . 2]" 1
200 1 15 PHE HA 1 87 VAL HA . . 5.130 4.342 3.732 4.676 . 0 0 "[ . 1 . 2]" 1
201 1 15 PHE HA 1 87 VAL QG . . 4.610 3.700 2.831 4.106 . 0 0 "[ . 1 . 2]" 1
202 1 15 PHE HA 1 88 LYS H . . 3.570 2.718 2.143 3.134 . 0 0 "[ . 1 . 2]" 1
203 1 15 PHE HA 1 88 LYS HB2 . . 4.680 3.177 2.513 3.840 . 0 0 "[ . 1 . 2]" 1
204 1 15 PHE HA 1 88 LYS HB3 . . 4.030 3.169 2.139 3.865 . 0 0 "[ . 1 . 2]" 1
205 1 15 PHE QB 1 16 VAL H . . 3.430 2.258 1.961 2.649 . 0 0 "[ . 1 . 2]" 1
206 1 15 PHE QB 1 90 LEU QD . . 3.810 2.432 1.911 3.601 . 0 0 "[ . 1 . 2]" 1
207 1 15 PHE QD 1 16 VAL H . . 3.960 2.961 2.488 3.366 . 0 0 "[ . 1 . 2]" 1
208 1 15 PHE QD 1 16 VAL QG . . 4.200 3.777 2.785 4.235 0.035 6 0 "[ . 1 . 2]" 1
209 1 15 PHE QD 1 88 LYS H . . 4.790 4.216 3.897 4.717 . 0 0 "[ . 1 . 2]" 1
210 1 15 PHE QD 1 88 LYS HB2 . . 3.850 3.745 3.473 3.894 0.044 20 0 "[ . 1 . 2]" 1
211 1 15 PHE QD 1 88 LYS HB3 . . 3.330 2.902 2.197 3.383 0.053 13 0 "[ . 1 . 2]" 1
212 1 15 PHE QD 1 88 LYS QD . . 4.730 4.174 3.033 4.758 0.028 11 0 "[ . 1 . 2]" 1
213 1 15 PHE QD 1 89 GLU HA . . 4.530 4.409 4.039 4.571 0.041 13 0 "[ . 1 . 2]" 1
214 1 15 PHE QD 1 90 LEU H . . 4.510 4.276 3.823 4.521 0.011 9 0 "[ . 1 . 2]" 1
215 1 15 PHE QD 1 90 LEU HA . . 3.400 3.275 2.854 3.439 0.039 20 0 "[ . 1 . 2]" 1
216 1 15 PHE QD 1 90 LEU MD1 . . 4.450 3.523 2.484 4.437 . 0 0 "[ . 1 . 2]" 1
217 1 15 PHE QD 1 90 LEU QD . . 3.160 2.838 2.191 3.168 0.008 20 0 "[ . 1 . 2]" 1
218 1 15 PHE QD 1 90 LEU MD2 . . 4.450 3.488 2.204 4.399 . 0 0 "[ . 1 . 2]" 1
219 1 15 PHE QD 1 90 LEU HG . . 3.510 3.033 2.050 3.494 . 0 0 "[ . 1 . 2]" 1
220 1 15 PHE QD 1 91 LEU H . . 5.490 4.960 4.071 5.493 0.003 7 0 "[ . 1 . 2]" 1
221 1 15 PHE QE 1 88 LYS HB2 . . 4.500 4.470 4.057 4.549 0.049 16 0 "[ . 1 . 2]" 1
222 1 15 PHE QE 1 88 LYS HB3 . . 4.220 3.320 2.993 3.777 . 0 0 "[ . 1 . 2]" 1
223 1 15 PHE QE 1 88 LYS QD . . 4.080 3.537 2.270 4.096 0.016 11 0 "[ . 1 . 2]" 1
224 1 15 PHE QE 1 90 LEU HA . . 4.240 3.011 1.992 3.643 . 0 0 "[ . 1 . 2]" 1
225 1 15 PHE QE 1 90 LEU QD . . 4.470 3.611 2.183 4.364 . 0 0 "[ . 1 . 2]" 1
226 1 16 VAL H 1 16 VAL HB . . 3.260 2.619 2.432 2.930 . 0 0 "[ . 1 . 2]" 1
227 1 16 VAL H 1 16 VAL QG . . 3.040 2.202 1.882 2.579 . 0 0 "[ . 1 . 2]" 1
228 1 16 VAL H 1 17 GLY H . . 4.570 4.431 4.296 4.515 . 0 0 "[ . 1 . 2]" 1
229 1 16 VAL H 1 18 GLU H . . 5.290 4.871 4.321 5.127 . 0 0 "[ . 1 . 2]" 1
230 1 16 VAL H 1 18 GLU HG2 . . 4.070 3.835 3.376 4.076 0.006 3 0 "[ . 1 . 2]" 1
231 1 16 VAL H 1 18 GLU HG3 . . 4.460 4.098 3.635 4.345 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL H 1 87 VAL QG . . 3.680 3.380 3.026 3.683 0.003 20 0 "[ . 1 . 2]" 1
233 1 16 VAL H 1 88 LYS H . . 4.430 4.016 3.331 4.412 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL H 1 89 GLU HA . . 4.180 3.875 3.325 4.192 0.012 9 0 "[ . 1 . 2]" 1
235 1 16 VAL H 1 90 LEU H . . 4.710 4.141 3.460 4.722 0.012 6 0 "[ . 1 . 2]" 1
236 1 16 VAL H 1 90 LEU QD . . 3.750 2.703 1.846 3.574 . 0 0 "[ . 1 . 2]" 1
237 1 16 VAL H 1 90 LEU HG . . 4.470 3.552 2.563 4.476 0.006 10 0 "[ . 1 . 2]" 1
238 1 16 VAL HA 1 16 VAL MG1 . . 3.480 2.644 2.306 3.203 . 0 0 "[ . 1 . 2]" 1
239 1 16 VAL HA 1 16 VAL MG2 . . 3.480 2.373 2.287 2.419 . 0 0 "[ . 1 . 2]" 1
240 1 16 VAL HA 1 17 GLY H . . 2.910 2.148 2.144 2.165 . 0 0 "[ . 1 . 2]" 1
241 1 16 VAL HA 1 18 GLU H . . 4.190 4.116 3.730 4.257 0.067 2 0 "[ . 1 . 2]" 1
242 1 16 VAL HA 1 64 CYS H . . 4.950 4.889 4.375 5.005 0.055 4 0 "[ . 1 . 2]" 1
243 1 16 VAL HA 1 64 CYS QB . . 4.710 3.839 2.805 4.722 0.012 19 0 "[ . 1 . 2]" 1
244 1 16 VAL HA 1 65 GLN HA . . 4.600 4.003 3.262 4.602 0.002 16 0 "[ . 1 . 2]" 1
245 1 16 VAL HA 1 87 VAL MG1 . . 4.840 2.115 1.904 2.450 . 0 0 "[ . 1 . 2]" 1
246 1 16 VAL HA 1 87 VAL QG . . 3.440 2.107 1.899 2.435 . 0 0 "[ . 1 . 2]" 1
247 1 16 VAL HA 1 87 VAL MG2 . . 4.840 4.007 3.758 4.626 . 0 0 "[ . 1 . 2]" 1
248 1 16 VAL HA 1 90 LEU QD . . 5.310 4.394 3.627 5.027 . 0 0 "[ . 1 . 2]" 1
249 1 16 VAL HB 1 17 GLY H . . 4.570 4.281 4.124 4.411 . 0 0 "[ . 1 . 2]" 1
250 1 16 VAL HB 1 89 GLU HA . . 4.020 3.479 2.685 4.028 0.008 20 0 "[ . 1 . 2]" 1
251 1 16 VAL QG 1 17 GLY H . . 3.410 2.722 2.378 2.960 . 0 0 "[ . 1 . 2]" 1
252 1 16 VAL QG 1 17 GLY QA . . 4.390 3.128 2.943 3.232 . 0 0 "[ . 1 . 2]" 1
253 1 16 VAL QG 1 18 GLU H . . 5.440 4.538 4.144 4.745 . 0 0 "[ . 1 . 2]" 1
254 1 16 VAL QG 1 65 GLN HA . . 3.900 2.925 1.964 3.584 . 0 0 "[ . 1 . 2]" 1
255 1 16 VAL QG 1 65 GLN QB . . 4.130 3.449 2.004 4.162 0.032 9 0 "[ . 1 . 2]" 1
256 1 16 VAL QG 1 65 GLN QE . . 4.240 3.542 1.724 4.254 0.014 7 0 "[ . 1 . 2]" 1
257 1 16 VAL QG 1 87 VAL QG . . 2.960 1.937 1.696 2.640 . 0 0 "[ . 1 . 2]" 1
258 1 16 VAL QG 1 88 LYS HA . . 5.150 4.227 3.464 4.924 . 0 0 "[ . 1 . 2]" 1
259 1 16 VAL QG 1 88 LYS HB2 . . 5.330 4.940 4.563 5.315 . 0 0 "[ . 1 . 2]" 1
260 1 16 VAL QG 1 88 LYS HB3 . . 4.790 4.540 4.245 4.800 0.010 9 0 "[ . 1 . 2]" 1
261 1 16 VAL QG 1 89 GLU HA . . 3.600 2.018 1.941 2.254 . 0 0 "[ . 1 . 2]" 1
262 1 16 VAL QG 1 89 GLU QB . . 4.210 3.612 3.161 4.039 . 0 0 "[ . 1 . 2]" 1
263 1 16 VAL QG 1 90 LEU H . . 3.860 2.874 1.849 3.709 . 0 0 "[ . 1 . 2]" 1
264 1 16 VAL MG1 1 89 GLU HA . . 4.970 3.564 1.973 4.797 . 0 0 "[ . 1 . 2]" 1
265 1 16 VAL MG2 1 89 GLU HA . . 4.970 2.714 1.945 4.358 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLY H 1 18 GLU H . . 3.510 2.897 2.598 2.979 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLY H 1 63 ASN HA . . 4.950 4.411 4.055 4.918 . 0 0 "[ . 1 . 2]" 1
268 1 17 GLY H 1 64 CYS H . . 4.010 2.955 2.547 3.110 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLY H 1 64 CYS HA . . 5.320 4.542 4.202 4.934 . 0 0 "[ . 1 . 2]" 1
270 1 17 GLY H 1 64 CYS HB2 . . 4.700 3.264 2.001 4.397 . 0 0 "[ . 1 . 2]" 1
271 1 17 GLY H 1 64 CYS QB . . 4.110 2.991 1.990 3.983 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLY H 1 64 CYS HB3 . . 4.700 3.947 3.078 4.705 0.005 8 0 "[ . 1 . 2]" 1
273 1 17 GLY H 1 65 GLN HA . . 4.600 3.179 2.381 3.612 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLY H 1 87 VAL QG . . 4.300 3.363 3.087 3.805 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLY QA 1 63 ASN HA . . 3.770 2.221 1.949 2.881 . 0 0 "[ . 1 . 2]" 1
276 1 17 GLY QA 1 64 CYS H . . 4.030 1.949 1.911 2.169 . 0 0 "[ . 1 . 2]" 1
277 1 17 GLY HA2 1 63 ASN HA . . 4.310 2.248 1.971 2.925 . 0 0 "[ . 1 . 2]" 1
278 1 17 GLY HA3 1 63 ASN HA . . 4.310 3.469 3.036 4.342 0.032 9 0 "[ . 1 . 2]" 1
279 1 18 GLU H 1 18 GLU HB2 . . 3.420 2.596 2.429 2.733 . 0 0 "[ . 1 . 2]" 1
280 1 18 GLU H 1 18 GLU HB3 . . 3.970 3.740 3.648 3.827 . 0 0 "[ . 1 . 2]" 1
281 1 18 GLU H 1 18 GLU HG2 . . 3.410 3.274 3.014 3.405 . 0 0 "[ . 1 . 2]" 1
282 1 18 GLU HA 1 19 THR H . . 3.420 3.444 3.250 3.487 0.067 13 0 "[ . 1 . 2]" 1
283 1 18 GLU HB2 1 19 THR H . . 3.190 1.960 1.929 2.032 . 0 0 "[ . 1 . 2]" 1
284 1 18 GLU HB3 1 19 THR H . . 3.670 2.133 1.904 2.275 . 0 0 "[ . 1 . 2]" 1
285 1 18 GLU HB3 1 19 THR MG . . 5.170 4.766 4.576 5.058 . 0 0 "[ . 1 . 2]" 1
286 1 18 GLU HB3 1 90 LEU QD . . 5.280 4.007 3.605 5.025 . 0 0 "[ . 1 . 2]" 1
287 1 19 THR H 1 19 THR HB . . 3.290 3.129 3.032 3.263 . 0 0 "[ . 1 . 2]" 1
288 1 19 THR H 1 19 THR MG . . 4.070 3.920 3.868 3.946 . 0 0 "[ . 1 . 2]" 1
289 1 19 THR H 1 20 ALA H . . 4.830 4.422 4.334 4.432 . 0 0 "[ . 1 . 2]" 1
290 1 19 THR HA 1 19 THR MG . . 3.570 2.026 1.931 2.173 . 0 0 "[ . 1 . 2]" 1
291 1 19 THR HA 1 20 ALA H . . 2.990 2.245 2.162 2.257 . 0 0 "[ . 1 . 2]" 1
292 1 19 THR HA 1 61 LEU H . . 4.830 4.613 4.160 4.862 0.032 11 0 "[ . 1 . 2]" 1
293 1 19 THR HA 1 62 HIS HA . . 3.450 2.627 2.249 2.931 . 0 0 "[ . 1 . 2]" 1
294 1 19 THR HA 1 63 ASN H . . 4.330 4.012 3.461 4.450 0.120 20 0 "[ . 1 . 2]" 1
295 1 19 THR HA 1 64 CYS H . . 5.480 5.252 4.770 5.491 0.011 16 0 "[ . 1 . 2]" 1
296 1 19 THR HB 1 20 ALA H . . 4.810 3.459 3.281 3.776 . 0 0 "[ . 1 . 2]" 1
297 1 19 THR HB 1 20 ALA HA . . 4.400 4.268 4.178 4.428 0.028 17 0 "[ . 1 . 2]" 1
298 1 19 THR HB 1 60 ILE MG . . 4.510 4.229 3.899 4.510 . 0 0 "[ . 1 . 2]" 1
299 1 19 THR MG 1 20 ALA H . . 3.480 2.470 2.287 2.777 . 0 0 "[ . 1 . 2]" 1
300 1 19 THR MG 1 60 ILE HA . . 4.210 4.034 3.775 4.226 0.016 6 0 "[ . 1 . 2]" 1
301 1 19 THR MG 1 60 ILE HB . . 4.730 4.518 4.143 4.711 . 0 0 "[ . 1 . 2]" 1
302 1 19 THR MG 1 60 ILE MG . . 2.930 2.171 1.848 2.361 . 0 0 "[ . 1 . 2]" 1
303 1 19 THR MG 1 61 LEU H . . 4.120 3.966 3.557 4.145 0.025 3 0 "[ . 1 . 2]" 1
304 1 19 THR MG 1 62 HIS HA . . 3.930 3.387 2.905 3.721 . 0 0 "[ . 1 . 2]" 1
305 1 19 THR MG 1 62 HIS HE1 . . 4.540 4.344 3.734 4.552 0.012 15 0 "[ . 1 . 2]" 1
306 1 19 THR MG 1 63 ASN H . . 5.100 5.062 4.594 5.237 0.137 6 0 "[ . 1 . 2]" 1
307 1 20 ALA H 1 20 ALA MB . . 3.590 2.524 2.457 2.558 . 0 0 "[ . 1 . 2]" 1
308 1 20 ALA H 1 21 HIS H . . 4.520 4.051 4.026 4.152 . 0 0 "[ . 1 . 2]" 1
309 1 20 ALA H 1 60 ILE HB . . 5.500 5.586 5.535 5.617 0.117 6 0 "[ . 1 . 2]" 1
310 1 20 ALA H 1 60 ILE MG . . 4.640 3.086 2.975 3.193 . 0 0 "[ . 1 . 2]" 1
311 1 20 ALA H 1 61 LEU H . . 3.900 2.685 2.336 2.910 . 0 0 "[ . 1 . 2]" 1
312 1 20 ALA H 1 61 LEU QB . . 4.490 3.704 3.208 4.152 . 0 0 "[ . 1 . 2]" 1
313 1 20 ALA H 1 62 HIS H . . 4.930 4.846 4.570 4.965 0.035 6 0 "[ . 1 . 2]" 1
314 1 20 ALA H 1 62 HIS HA . . 4.270 3.747 3.350 4.056 . 0 0 "[ . 1 . 2]" 1
315 1 20 ALA HA 1 21 HIS H . . 2.680 2.163 2.150 2.167 . 0 0 "[ . 1 . 2]" 1
316 1 20 ALA HA 1 21 HIS HA . . 4.640 4.410 4.403 4.413 . 0 0 "[ . 1 . 2]" 1
317 1 20 ALA HA 1 22 PHE QD . . 5.360 4.983 4.839 5.264 . 0 0 "[ . 1 . 2]" 1
318 1 20 ALA HA 1 22 PHE QE . . 4.300 4.003 3.852 4.302 0.002 20 0 "[ . 1 . 2]" 1
319 1 20 ALA MB 1 21 HIS H . . 3.620 3.423 3.368 3.443 . 0 0 "[ . 1 . 2]" 1
320 1 20 ALA MB 1 22 PHE H . . 5.200 4.911 4.701 5.090 . 0 0 "[ . 1 . 2]" 1
321 1 20 ALA MB 1 22 PHE HB2 . . 5.500 5.201 5.101 5.418 . 0 0 "[ . 1 . 2]" 1
322 1 20 ALA MB 1 22 PHE QD . . 3.590 3.200 3.001 3.381 . 0 0 "[ . 1 . 2]" 1
323 1 20 ALA MB 1 22 PHE QE . . 3.330 1.898 1.873 1.928 . 0 0 "[ . 1 . 2]" 1
324 1 20 ALA MB 1 60 ILE HA . . 4.730 3.937 3.829 4.036 . 0 0 "[ . 1 . 2]" 1
325 1 20 ALA MB 1 61 LEU H . . 3.890 2.436 2.180 2.739 . 0 0 "[ . 1 . 2]" 1
326 1 20 ALA MB 1 61 LEU QB . . 3.310 1.890 1.704 2.122 . 0 0 "[ . 1 . 2]" 1
327 1 20 ALA MB 1 61 LEU QD . . 3.310 2.860 1.994 3.283 . 0 0 "[ . 1 . 2]" 1
328 1 20 ALA MB 1 64 CYS H . . 5.500 4.647 4.195 5.236 . 0 0 "[ . 1 . 2]" 1
329 1 21 HIS H 1 21 HIS HB2 . . 3.480 2.276 2.244 2.304 . 0 0 "[ . 1 . 2]" 1
330 1 21 HIS H 1 21 HIS HB3 . . 3.480 3.475 3.423 3.560 0.080 8 0 "[ . 1 . 2]" 1
331 1 21 HIS H 1 22 PHE H . . 4.990 4.410 4.335 4.452 . 0 0 "[ . 1 . 2]" 1
332 1 21 HIS H 1 60 ILE MG . . 5.180 4.942 4.733 5.096 . 0 0 "[ . 1 . 2]" 1
333 1 21 HIS HA 1 21 HIS HE1 . . 4.670 4.496 4.383 4.685 0.015 11 0 "[ . 1 . 2]" 1
334 1 21 HIS HA 1 22 PHE H . . 2.970 2.145 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
335 1 21 HIS HA 1 22 PHE QE . . 5.160 5.089 4.830 5.198 0.038 9 0 "[ . 1 . 2]" 1
336 1 21 HIS HA 1 58 ILE MD . . 5.430 3.467 3.166 3.883 . 0 0 "[ . 1 . 2]" 1
337 1 21 HIS HA 1 60 ILE HA . . 3.760 3.105 2.981 3.268 . 0 0 "[ . 1 . 2]" 1
338 1 21 HIS HA 1 60 ILE MG . . 4.460 3.808 3.566 4.052 . 0 0 "[ . 1 . 2]" 1
339 1 21 HIS QB 1 22 PHE H . . 4.270 3.378 3.253 3.512 . 0 0 "[ . 1 . 2]" 1
340 1 21 HIS HE1 1 60 ILE HA . . 4.810 4.565 4.008 4.829 0.019 17 0 "[ . 1 . 2]" 1
341 1 21 HIS HE1 1 60 ILE MD . . 3.580 2.207 1.931 3.588 0.008 1 0 "[ . 1 . 2]" 1
342 1 21 HIS HE1 1 60 ILE HG12 . . 4.540 2.806 2.136 4.573 0.033 8 0 "[ . 1 . 2]" 1
343 1 21 HIS HE1 1 60 ILE QG . . 3.850 2.596 2.120 3.386 . 0 0 "[ . 1 . 2]" 1
344 1 21 HIS HE1 1 60 ILE HG13 . . 4.540 3.786 2.846 4.483 . 0 0 "[ . 1 . 2]" 1
345 1 21 HIS HE1 1 60 ILE MG . . 4.030 2.871 1.981 3.608 . 0 0 "[ . 1 . 2]" 1
346 1 22 PHE H 1 22 PHE HB2 . . 3.540 2.693 2.567 2.757 . 0 0 "[ . 1 . 2]" 1
347 1 22 PHE H 1 22 PHE HB3 . . 4.030 3.809 3.727 3.841 . 0 0 "[ . 1 . 2]" 1
348 1 22 PHE H 1 58 ILE MG . . 5.500 5.435 5.320 5.525 0.025 6 0 "[ . 1 . 2]" 1
349 1 22 PHE H 1 59 LEU H . . 4.100 2.740 2.551 2.951 . 0 0 "[ . 1 . 2]" 1
350 1 22 PHE H 1 59 LEU HB3 . . 5.000 3.835 3.626 4.091 . 0 0 "[ . 1 . 2]" 1
351 1 22 PHE HA 1 22 PHE QD . . 3.700 2.776 2.555 2.941 . 0 0 "[ . 1 . 2]" 1
352 1 22 PHE HA 1 22 PHE QE . . 4.700 4.595 4.560 4.662 . 0 0 "[ . 1 . 2]" 1
353 1 22 PHE HA 1 23 GLU H . . 2.870 2.147 2.141 2.218 . 0 0 "[ . 1 . 2]" 1
354 1 22 PHE HA 1 35 TRP HH2 . . 5.500 4.788 4.379 5.041 . 0 0 "[ . 1 . 2]" 1
355 1 22 PHE HA 1 35 TRP HZ3 . . 5.500 5.075 4.703 5.407 . 0 0 "[ . 1 . 2]" 1
356 1 22 PHE HB2 1 35 TRP HH2 . . 4.270 3.496 3.149 3.876 . 0 0 "[ . 1 . 2]" 1
357 1 22 PHE HB2 1 35 TRP HZ3 . . 3.890 3.322 3.033 3.591 . 0 0 "[ . 1 . 2]" 1
358 1 22 PHE HB2 1 59 LEU H . . 4.120 3.169 3.032 3.279 . 0 0 "[ . 1 . 2]" 1
359 1 22 PHE HB2 1 59 LEU HB2 . . 4.880 4.065 3.891 4.175 . 0 0 "[ . 1 . 2]" 1
360 1 22 PHE HB2 1 72 VAL QG . . 5.380 4.323 3.659 4.737 . 0 0 "[ . 1 . 2]" 1
361 1 22 PHE HB3 1 23 GLU H . . 3.970 3.388 2.955 3.438 . 0 0 "[ . 1 . 2]" 1
362 1 22 PHE HB3 1 35 TRP HE3 . . 5.330 4.500 4.163 4.954 . 0 0 "[ . 1 . 2]" 1
363 1 22 PHE HB3 1 35 TRP HH2 . . 3.980 2.941 2.409 3.404 . 0 0 "[ . 1 . 2]" 1
364 1 22 PHE HB3 1 35 TRP HZ3 . . 3.560 2.623 2.257 2.926 . 0 0 "[ . 1 . 2]" 1
365 1 22 PHE HB3 1 59 LEU HB2 . . 5.500 5.431 5.295 5.527 0.027 1 0 "[ . 1 . 2]" 1
366 1 22 PHE HB3 1 72 VAL QG . . 4.640 3.963 3.420 4.314 . 0 0 "[ . 1 . 2]" 1
367 1 22 PHE QD 1 23 GLU H . . 4.610 4.142 3.833 4.305 . 0 0 "[ . 1 . 2]" 1
368 1 22 PHE QD 1 35 TRP HZ3 . . 4.410 3.947 3.489 4.360 . 0 0 "[ . 1 . 2]" 1
369 1 22 PHE QD 1 59 LEU MD1 . . 4.290 2.139 1.951 2.339 . 0 0 "[ . 1 . 2]" 1
370 1 22 PHE QD 1 72 VAL MG1 . . 4.090 3.614 3.177 4.014 . 0 0 "[ . 1 . 2]" 1
371 1 22 PHE QD 1 72 VAL QG . . 3.560 3.276 2.967 3.566 0.006 4 0 "[ . 1 . 2]" 1
372 1 22 PHE QD 1 72 VAL MG2 . . 4.090 3.760 3.385 4.114 0.024 3 0 "[ . 1 . 2]" 1
373 1 22 PHE QD 1 83 ALA MB . . 4.450 4.413 4.160 4.557 0.107 14 0 "[ . 1 . 2]" 1
374 1 22 PHE QE 1 59 LEU MD1 . . 3.460 3.333 2.942 3.483 0.023 10 0 "[ . 1 . 2]" 1
375 1 22 PHE QE 1 61 LEU HB2 . . 4.420 3.556 2.561 4.426 0.006 3 0 "[ . 1 . 2]" 1
376 1 22 PHE QE 1 61 LEU QB . . 3.710 2.935 2.530 3.397 . 0 0 "[ . 1 . 2]" 1
377 1 22 PHE QE 1 61 LEU HB3 . . 4.420 3.456 2.827 4.273 . 0 0 "[ . 1 . 2]" 1
378 1 22 PHE QE 1 61 LEU QD . . 4.010 3.303 2.255 4.021 0.011 14 0 "[ . 1 . 2]" 1
379 1 22 PHE QE 1 72 VAL HB . . 4.800 3.936 3.382 4.275 . 0 0 "[ . 1 . 2]" 1
380 1 22 PHE QE 1 72 VAL MG1 . . 4.170 3.173 2.587 3.690 . 0 0 "[ . 1 . 2]" 1
381 1 22 PHE QE 1 72 VAL QG . . 3.620 2.781 2.180 3.232 . 0 0 "[ . 1 . 2]" 1
382 1 22 PHE QE 1 72 VAL MG2 . . 4.170 3.354 2.209 3.957 . 0 0 "[ . 1 . 2]" 1
383 1 22 PHE QE 1 83 ALA MB . . 4.440 4.399 4.034 4.477 0.037 5 0 "[ . 1 . 2]" 1
384 1 23 GLU H 1 23 GLU QB . . 3.590 2.976 2.585 3.230 . 0 0 "[ . 1 . 2]" 1
385 1 23 GLU H 1 23 GLU QG . . 4.250 2.727 2.012 4.160 . 0 0 "[ . 1 . 2]" 1
386 1 23 GLU H 1 58 ILE MD . . 4.510 3.850 3.580 4.166 . 0 0 "[ . 1 . 2]" 1
387 1 23 GLU HA 1 24 ILE H . . 2.870 2.170 2.160 2.191 . 0 0 "[ . 1 . 2]" 1
388 1 23 GLU HA 1 35 TRP HH2 . . 4.440 3.621 3.206 4.129 . 0 0 "[ . 1 . 2]" 1
389 1 23 GLU HA 1 35 TRP HZ2 . . 4.620 4.083 3.617 4.622 0.002 17 0 "[ . 1 . 2]" 1
390 1 23 GLU HA 1 57 HIS H . . 4.600 4.080 3.780 4.367 . 0 0 "[ . 1 . 2]" 1
391 1 23 GLU HA 1 58 ILE HA . . 3.470 2.971 2.770 3.134 . 0 0 "[ . 1 . 2]" 1
392 1 23 GLU HA 1 58 ILE MD . . 4.680 2.957 2.732 3.281 . 0 0 "[ . 1 . 2]" 1
393 1 23 GLU HA 1 58 ILE MG . . 5.500 5.418 5.294 5.500 . 0 0 "[ . 1 . 2]" 1
394 1 23 GLU HA 1 59 LEU H . . 4.750 4.299 4.091 4.498 . 0 0 "[ . 1 . 2]" 1
395 1 23 GLU QB 1 24 ILE H . . 3.900 3.193 3.035 3.702 . 0 0 "[ . 1 . 2]" 1
396 1 23 GLU QB 1 58 ILE HA . . 4.510 3.594 3.227 3.922 . 0 0 "[ . 1 . 2]" 1
397 1 23 GLU QB 1 58 ILE HB . . 4.110 3.839 3.532 4.074 . 0 0 "[ . 1 . 2]" 1
398 1 23 GLU QB 1 58 ILE MD . . 3.940 1.994 1.854 2.214 . 0 0 "[ . 1 . 2]" 1
399 1 23 GLU QB 1 58 ILE QG . . 4.780 4.058 3.703 4.312 . 0 0 "[ . 1 . 2]" 1
400 1 23 GLU QB 1 58 ILE MG . . 5.500 4.979 4.708 5.177 . 0 0 "[ . 1 . 2]" 1
401 1 23 GLU QG 1 58 ILE MD . . 4.380 3.343 2.063 3.820 . 0 0 "[ . 1 . 2]" 1
402 1 23 GLU HG2 1 24 ILE H . . 5.500 4.521 2.867 5.359 . 0 0 "[ . 1 . 2]" 1
403 1 23 GLU HG2 1 58 ILE MD . . 5.140 3.799 3.273 4.505 . 0 0 "[ . 1 . 2]" 1
404 1 23 GLU HG3 1 24 ILE H . . 5.500 4.209 2.774 5.119 . 0 0 "[ . 1 . 2]" 1
405 1 23 GLU HG3 1 58 ILE MD . . 5.140 4.039 2.079 4.716 . 0 0 "[ . 1 . 2]" 1
406 1 24 ILE H 1 24 ILE MD . . 3.720 1.911 1.880 1.937 . 0 0 "[ . 1 . 2]" 1
407 1 24 ILE H 1 24 ILE HG12 . . 4.510 3.712 3.691 3.737 . 0 0 "[ . 1 . 2]" 1
408 1 24 ILE H 1 24 ILE HG13 . . 5.150 4.155 4.119 4.178 . 0 0 "[ . 1 . 2]" 1
409 1 24 ILE H 1 35 TRP HH2 . . 4.590 3.861 3.452 4.375 . 0 0 "[ . 1 . 2]" 1
410 1 24 ILE H 1 56 LYS QB . . 4.200 3.788 3.279 4.262 0.062 18 0 "[ . 1 . 2]" 1
411 1 24 ILE H 1 57 HIS H . . 3.600 2.874 2.623 3.110 . 0 0 "[ . 1 . 2]" 1
412 1 24 ILE HA 1 24 ILE MD . . 4.360 3.457 3.453 3.463 . 0 0 "[ . 1 . 2]" 1
413 1 24 ILE HA 1 24 ILE HG12 . . 3.710 3.613 3.606 3.627 . 0 0 "[ . 1 . 2]" 1
414 1 24 ILE HA 1 25 GLU H . . 2.850 2.458 2.445 2.465 . 0 0 "[ . 1 . 2]" 1
415 1 24 ILE HA 1 57 HIS H . . 5.420 5.255 5.020 5.452 0.032 18 0 "[ . 1 . 2]" 1
416 1 24 ILE HB 1 25 GLU H . . 3.960 2.426 2.399 2.453 . 0 0 "[ . 1 . 2]" 1
417 1 24 ILE HB 1 35 TRP HH2 . . 5.310 5.171 4.915 5.337 0.027 9 0 "[ . 1 . 2]" 1
418 1 24 ILE MD 1 25 GLU H . . 4.500 3.897 3.867 3.921 . 0 0 "[ . 1 . 2]" 1
419 1 24 ILE MD 1 25 GLU HB2 . . 5.500 5.591 5.567 5.614 0.114 12 0 "[ . 1 . 2]" 1
420 1 24 ILE MD 1 26 LEU QD . . 3.830 3.050 2.483 3.842 0.012 5 0 "[ . 1 . 2]" 1
421 1 24 ILE MD 1 26 LEU HG . . 5.200 4.204 3.295 5.229 0.029 17 0 "[ . 1 . 2]" 1
422 1 24 ILE MD 1 35 TRP HE1 . . 5.290 4.644 4.336 4.991 . 0 0 "[ . 1 . 2]" 1
423 1 24 ILE MD 1 35 TRP HH2 . . 3.150 2.472 2.040 2.918 . 0 0 "[ . 1 . 2]" 1
424 1 24 ILE MD 1 35 TRP HZ2 . . 3.300 2.707 2.591 2.922 . 0 0 "[ . 1 . 2]" 1
425 1 24 ILE MD 1 56 LYS HA . . 4.950 3.283 3.039 3.630 . 0 0 "[ . 1 . 2]" 1
426 1 24 ILE MD 1 56 LYS QB . . 5.340 3.975 3.606 4.315 . 0 0 "[ . 1 . 2]" 1
427 1 24 ILE MD 1 57 HIS H . . 4.030 2.162 1.909 2.455 . 0 0 "[ . 1 . 2]" 1
428 1 24 ILE MD 1 57 HIS HB2 . . 3.860 2.321 2.131 2.539 . 0 0 "[ . 1 . 2]" 1
429 1 24 ILE MD 1 57 HIS HB3 . . 5.110 3.746 3.543 3.957 . 0 0 "[ . 1 . 2]" 1
430 1 24 ILE MD 1 57 HIS HE1 . . 3.970 3.906 3.793 3.996 0.026 20 0 "[ . 1 . 2]" 1
431 1 24 ILE MD 1 74 PHE QE . . 3.560 2.897 2.280 3.463 . 0 0 "[ . 1 . 2]" 1
432 1 24 ILE MD 1 74 PHE HZ . . 4.230 3.076 2.633 3.528 . 0 0 "[ . 1 . 2]" 1
433 1 24 ILE HG12 1 25 GLU H . . 3.320 2.861 2.823 2.887 . 0 0 "[ . 1 . 2]" 1
434 1 24 ILE HG12 1 26 LEU H . . 4.480 4.389 4.134 4.505 0.025 20 0 "[ . 1 . 2]" 1
435 1 24 ILE HG13 1 25 GLU H . . 4.140 4.130 4.105 4.157 0.017 2 0 "[ . 1 . 2]" 1
436 1 25 GLU H 1 25 GLU HB2 . . 3.520 2.512 2.467 2.563 . 0 0 "[ . 1 . 2]" 1
437 1 25 GLU H 1 25 GLU HG2 . . 5.420 4.197 3.909 4.483 . 0 0 "[ . 1 . 2]" 1
438 1 25 GLU H 1 25 GLU QG . . 4.720 3.345 3.027 3.924 . 0 0 "[ . 1 . 2]" 1
439 1 25 GLU H 1 25 GLU HG3 . . 5.420 3.550 3.126 4.492 . 0 0 "[ . 1 . 2]" 1
440 1 25 GLU H 1 26 LEU H . . 4.750 4.438 4.377 4.470 . 0 0 "[ . 1 . 2]" 1
441 1 25 GLU H 1 56 LYS HA . . 5.500 5.234 5.054 5.412 . 0 0 "[ . 1 . 2]" 1
442 1 25 GLU HA 1 25 GLU HB3 . . 2.550 2.576 2.524 2.626 0.076 17 0 "[ . 1 . 2]" 1
443 1 25 GLU HA 1 25 GLU QG . . 3.610 2.327 2.208 2.579 . 0 0 "[ . 1 . 2]" 1
444 1 25 GLU HA 1 26 LEU H . . 2.960 2.216 2.164 2.248 . 0 0 "[ . 1 . 2]" 1
445 1 25 GLU HA 1 55 LYS QG . . 4.010 3.209 2.929 3.506 . 0 0 "[ . 1 . 2]" 1
446 1 25 GLU HA 1 56 LYS HA . . 3.300 2.889 2.679 3.071 . 0 0 "[ . 1 . 2]" 1
447 1 25 GLU HA 1 57 HIS H . . 4.460 4.356 4.159 4.476 0.016 11 0 "[ . 1 . 2]" 1
448 1 25 GLU HA 1 57 HIS HE1 . . 4.940 4.673 4.249 4.937 . 0 0 "[ . 1 . 2]" 1
449 1 25 GLU HB2 1 27 SER QB . . 5.340 5.208 4.984 5.384 0.044 19 0 "[ . 1 . 2]" 1
450 1 25 GLU HB3 1 27 SER HA . . 4.370 4.330 4.176 4.398 0.028 10 0 "[ . 1 . 2]" 1
451 1 25 GLU HB3 1 55 LYS QG . . 3.480 3.487 3.266 3.568 0.088 9 0 "[ . 1 . 2]" 1
452 1 25 GLU HB3 1 56 LYS HA . . 5.440 5.168 4.900 5.410 . 0 0 "[ . 1 . 2]" 1
453 1 25 GLU QG 1 55 LYS QD . . 3.940 3.112 2.009 3.903 . 0 0 "[ . 1 . 2]" 1
454 1 25 GLU QG 1 55 LYS QG . . 3.880 3.080 2.707 3.797 . 0 0 "[ . 1 . 2]" 1
455 1 25 GLU QG 1 56 LYS HA . . 4.230 3.637 3.294 4.225 . 0 0 "[ . 1 . 2]" 1
456 1 25 GLU QG 1 56 LYS QG . . 5.340 4.239 1.859 5.157 . 0 0 "[ . 1 . 2]" 1
457 1 26 LEU H 1 26 LEU HB2 . . 3.670 2.450 2.328 2.574 . 0 0 "[ . 1 . 2]" 1
458 1 26 LEU H 1 26 LEU HB3 . . 3.800 3.621 3.508 3.733 . 0 0 "[ . 1 . 2]" 1
459 1 26 LEU H 1 55 LYS HA . . 5.410 4.919 4.506 5.258 . 0 0 "[ . 1 . 2]" 1
460 1 26 LEU H 1 55 LYS QB . . 4.260 3.693 2.988 4.341 0.081 8 0 "[ . 1 . 2]" 1
461 1 26 LEU H 1 55 LYS QG . . 3.940 2.764 2.097 3.203 . 0 0 "[ . 1 . 2]" 1
462 1 26 LEU H 1 56 LYS HA . . 4.290 3.947 3.757 4.228 . 0 0 "[ . 1 . 2]" 1
463 1 26 LEU HA 1 27 SER H . . 3.460 3.324 3.235 3.399 . 0 0 "[ . 1 . 2]" 1
464 1 26 LEU HA 1 57 HIS HE1 . . 5.030 4.956 4.472 5.062 0.032 1 0 "[ . 1 . 2]" 1
465 1 26 LEU HB2 1 27 SER H . . 4.040 3.442 3.176 3.693 . 0 0 "[ . 1 . 2]" 1
466 1 26 LEU HB2 1 28 GLU H . . 3.360 3.050 2.561 3.362 0.002 3 0 "[ . 1 . 2]" 1
467 1 26 LEU HB2 1 55 LYS QG . . 4.520 4.219 3.103 4.544 0.024 6 0 "[ . 1 . 2]" 1
468 1 26 LEU HB2 1 57 HIS HE1 . . 3.910 2.400 1.982 2.670 . 0 0 "[ . 1 . 2]" 1
469 1 26 LEU HB2 1 76 ALA MB . . 4.910 4.254 3.884 4.572 . 0 0 "[ . 1 . 2]" 1
470 1 26 LEU HB3 1 27 SER H . . 4.120 3.993 3.720 4.146 0.026 10 0 "[ . 1 . 2]" 1
471 1 26 LEU HB3 1 28 GLU H . . 3.400 3.206 2.724 3.433 0.033 12 0 "[ . 1 . 2]" 1
472 1 26 LEU HB3 1 57 HIS HE1 . . 3.930 3.816 3.371 3.961 0.031 13 0 "[ . 1 . 2]" 1
473 1 26 LEU HB3 1 76 ALA MB . . 4.960 3.932 3.354 4.550 . 0 0 "[ . 1 . 2]" 1
474 1 26 LEU QD 1 57 HIS HE1 . . 4.240 2.158 1.793 2.665 . 0 0 "[ . 1 . 2]" 1
475 1 26 LEU QD 1 74 PHE QE . . 3.370 2.361 1.921 3.156 . 0 0 "[ . 1 . 2]" 1
476 1 26 LEU QD 1 74 PHE HZ . . 3.630 2.985 2.491 3.353 . 0 0 "[ . 1 . 2]" 1
477 1 26 LEU QD 1 76 ALA HA . . 5.440 3.616 2.826 4.376 . 0 0 "[ . 1 . 2]" 1
478 1 26 LEU MD1 1 74 PHE QE . . 3.900 3.157 2.329 3.779 . 0 0 "[ . 1 . 2]" 1
479 1 26 LEU MD2 1 74 PHE QE . . 3.900 2.640 1.953 3.898 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU HG 1 57 HIS HE1 . . 3.380 2.828 2.080 3.721 0.341 17 0 "[ . 1 . 2]" 1
481 1 26 LEU HG 1 76 ALA MB . . 3.690 2.712 1.871 3.701 0.011 19 0 "[ . 1 . 2]" 1
482 1 27 SER H 1 27 SER QB . . 3.620 2.909 2.855 2.979 . 0 0 "[ . 1 . 2]" 1
483 1 27 SER H 1 28 GLU H . . 3.840 2.699 2.603 2.784 . 0 0 "[ . 1 . 2]" 1
484 1 27 SER H 1 55 LYS QG . . 3.850 2.714 1.994 3.306 . 0 0 "[ . 1 . 2]" 1
485 1 27 SER HA 1 55 LYS HG2 . . 4.960 4.182 3.495 4.974 0.014 3 0 "[ . 1 . 2]" 1
486 1 27 SER HA 1 55 LYS QG . . 4.170 2.987 2.009 4.042 . 0 0 "[ . 1 . 2]" 1
487 1 27 SER HA 1 55 LYS HG3 . . 4.960 3.080 2.021 4.278 . 0 0 "[ . 1 . 2]" 1
488 1 27 SER QB 1 28 GLU H . . 4.390 3.872 3.677 4.030 . 0 0 "[ . 1 . 2]" 1
489 1 27 SER HB2 1 28 GLU H . . 5.090 4.534 4.356 4.612 . 0 0 "[ . 1 . 2]" 1
490 1 27 SER HB3 1 28 GLU H . . 5.090 4.207 3.963 4.464 . 0 0 "[ . 1 . 2]" 1
491 1 28 GLU H 1 28 GLU HB2 . . 4.020 3.099 2.749 3.935 . 0 0 "[ . 1 . 2]" 1
492 1 28 GLU H 1 28 GLU QB . . 3.300 2.829 2.690 3.290 . 0 0 "[ . 1 . 2]" 1
493 1 28 GLU H 1 28 GLU HB3 . . 4.020 3.478 2.993 3.870 . 0 0 "[ . 1 . 2]" 1
494 1 28 GLU H 1 55 LYS QG . . 3.850 3.586 2.400 3.935 0.085 12 0 "[ . 1 . 2]" 1
495 1 28 GLU HA 1 29 PRO HD2 . . 3.550 1.973 1.929 2.015 . 0 0 "[ . 1 . 2]" 1
496 1 28 GLU HA 1 29 PRO QD . . 3.110 1.928 1.853 1.972 . 0 0 "[ . 1 . 2]" 1
497 1 28 GLU HA 1 29 PRO HD3 . . 3.550 2.718 2.396 2.811 . 0 0 "[ . 1 . 2]" 1
498 1 28 GLU QB 1 29 PRO QD . . 4.750 3.709 3.278 3.820 . 0 0 "[ . 1 . 2]" 1
499 1 28 GLU QB 1 31 VAL QG . . 3.460 2.505 1.745 3.499 0.039 19 0 "[ . 1 . 2]" 1
500 1 28 GLU QG 1 31 VAL QG . . 4.270 2.947 1.881 4.306 0.036 19 0 "[ . 1 . 2]" 1
501 1 29 PRO HA 1 31 VAL H . . 4.010 3.553 3.388 4.051 0.041 19 0 "[ . 1 . 2]" 1
502 1 29 PRO HB2 1 30 ASP H . . 4.070 3.848 3.797 4.339 0.269 19 0 "[ . 1 . 2]" 1
503 1 29 PRO HB2 1 30 ASP HA . . 5.340 4.312 4.271 4.520 . 0 0 "[ . 1 . 2]" 1
504 1 29 PRO HB2 1 54 GLY QA . . 4.670 3.986 3.517 4.647 . 0 0 "[ . 1 . 2]" 1
505 1 29 PRO HB3 1 54 GLY QA . . 4.090 3.487 3.041 3.876 . 0 0 "[ . 1 . 2]" 1
506 1 29 PRO QD 1 30 ASP H . . 4.020 2.869 2.779 4.186 0.166 19 0 "[ . 1 . 2]" 1
507 1 29 PRO QD 1 55 LYS QE . . 4.480 3.715 2.067 4.503 0.023 10 0 "[ . 1 . 2]" 1
508 1 30 ASP H 1 30 ASP HA . . 2.940 2.864 2.774 2.946 0.006 13 0 "[ . 1 . 2]" 1
509 1 30 ASP H 1 30 ASP HB2 . . 4.180 2.648 2.215 3.667 . 0 0 "[ . 1 . 2]" 1
510 1 30 ASP H 1 30 ASP HB3 . . 4.180 3.079 2.450 3.687 . 0 0 "[ . 1 . 2]" 1
511 1 30 ASP H 1 31 VAL H . . 3.490 2.727 1.849 3.263 . 0 0 "[ . 1 . 2]" 1
512 1 30 ASP H 1 31 VAL MG1 . . 5.410 4.397 3.214 5.597 0.187 10 0 "[ . 1 . 2]" 1
513 1 30 ASP H 1 31 VAL QG . . 4.700 3.385 2.795 3.748 . 0 0 "[ . 1 . 2]" 1
514 1 30 ASP H 1 31 VAL MG2 . . 5.410 3.696 2.804 4.109 . 0 0 "[ . 1 . 2]" 1
515 1 30 ASP HA 1 31 VAL QG . . 5.430 4.096 3.848 4.364 . 0 0 "[ . 1 . 2]" 1
516 1 31 VAL H 1 31 VAL HB . . 3.960 3.594 2.750 3.952 . 0 0 "[ . 1 . 2]" 1
517 1 31 VAL H 1 31 VAL QG . . 3.250 2.227 1.906 2.767 . 0 0 "[ . 1 . 2]" 1
518 1 31 VAL H 1 77 ALA MB . . 5.330 5.117 4.564 5.387 0.057 10 0 "[ . 1 . 2]" 1
519 1 31 VAL HA 1 32 HIS H . . 3.040 2.558 2.141 2.690 . 0 0 "[ . 1 . 2]" 1
520 1 31 VAL HB 1 32 HIS H . . 4.410 2.373 1.938 4.233 . 0 0 "[ . 1 . 2]" 1
521 1 31 VAL HB 1 32 HIS HA . . 4.790 4.464 4.269 4.820 0.030 13 0 "[ . 1 . 2]" 1
522 1 31 VAL HB 1 77 ALA MB . . 4.640 2.507 1.951 4.117 . 0 0 "[ . 1 . 2]" 1
523 1 31 VAL QG 1 32 HIS H . . 3.800 2.602 1.889 2.931 . 0 0 "[ . 1 . 2]" 1
524 1 31 VAL QG 1 77 ALA MB . . 3.370 1.973 1.697 2.586 . 0 0 "[ . 1 . 2]" 1
525 1 31 VAL MG1 1 32 HIS H . . 4.410 3.169 1.893 3.609 . 0 0 "[ . 1 . 2]" 1
526 1 31 VAL MG1 1 77 ALA MB . . 3.930 2.444 1.704 3.030 . 0 0 "[ . 1 . 2]" 1
527 1 31 VAL MG2 1 32 HIS H . . 4.410 3.202 2.683 4.215 . 0 0 "[ . 1 . 2]" 1
528 1 31 VAL MG2 1 77 ALA MB . . 3.930 2.327 1.872 3.154 . 0 0 "[ . 1 . 2]" 1
529 1 32 HIS H 1 32 HIS QB . . 3.490 2.588 2.392 2.779 . 0 0 "[ . 1 . 2]" 1
530 1 32 HIS HA 1 32 HIS HD2 . . 4.310 3.900 3.246 4.261 . 0 0 "[ . 1 . 2]" 1
531 1 32 HIS HA 1 32 HIS HE1 . . 5.260 5.081 4.700 5.267 0.007 12 0 "[ . 1 . 2]" 1
532 1 32 HIS HA 1 33 GLY H . . 2.960 2.503 2.190 3.187 0.227 19 0 "[ . 1 . 2]" 1
533 1 32 HIS QB 1 32 HIS HE1 . . 4.640 4.456 4.374 4.568 . 0 0 "[ . 1 . 2]" 1
534 1 32 HIS QB 1 33 GLY H . . 4.120 2.615 1.926 3.651 . 0 0 "[ . 1 . 2]" 1
535 1 33 GLY H 1 34 GLN H . . 4.700 4.444 4.363 4.557 . 0 0 "[ . 1 . 2]" 1
536 1 33 GLY H 1 57 HIS HD2 . . 3.910 3.427 2.830 3.910 0.000 20 0 "[ . 1 . 2]" 1
537 1 33 GLY H 1 74 PHE QE . . 4.770 4.553 4.160 4.806 0.036 19 0 "[ . 1 . 2]" 1
538 1 33 GLY H 1 76 ALA MB . . 5.100 4.786 3.229 5.110 0.010 4 0 "[ . 1 . 2]" 1
539 1 33 GLY QA 1 74 PHE QE . . 3.460 2.800 2.154 3.077 . 0 0 "[ . 1 . 2]" 1
540 1 33 GLY QA 1 74 PHE HZ . . 3.630 2.423 2.144 2.712 . 0 0 "[ . 1 . 2]" 1
541 1 33 GLY QA 1 75 GLN H . . 5.340 4.692 4.324 5.052 . 0 0 "[ . 1 . 2]" 1
542 1 33 GLY QA 1 76 ALA HA . . 4.150 2.140 1.937 2.358 . 0 0 "[ . 1 . 2]" 1
543 1 33 GLY QA 1 76 ALA MB . . 3.500 2.865 1.837 3.316 . 0 0 "[ . 1 . 2]" 1
544 1 33 GLY HA2 1 34 GLN H . . 3.230 2.457 2.277 2.639 . 0 0 "[ . 1 . 2]" 1
545 1 33 GLY HA2 1 74 PHE QE . . 4.270 4.035 3.319 4.288 0.018 5 0 "[ . 1 . 2]" 1
546 1 33 GLY HA2 1 74 PHE HZ . . 4.240 3.968 3.286 4.268 0.028 5 0 "[ . 1 . 2]" 1
547 1 33 GLY HA2 1 76 ALA MB . . 4.240 3.539 1.939 4.126 . 0 0 "[ . 1 . 2]" 1
548 1 33 GLY HA3 1 34 GLN H . . 3.230 2.684 2.489 2.904 . 0 0 "[ . 1 . 2]" 1
549 1 33 GLY HA3 1 74 PHE QE . . 4.270 2.858 2.182 3.153 . 0 0 "[ . 1 . 2]" 1
550 1 33 GLY HA3 1 74 PHE HZ . . 4.240 2.448 2.161 2.789 . 0 0 "[ . 1 . 2]" 1
551 1 33 GLY HA3 1 76 ALA MB . . 4.240 3.076 2.277 3.561 . 0 0 "[ . 1 . 2]" 1
552 1 34 GLN H 1 34 GLN QB . . 3.410 2.763 2.503 3.175 . 0 0 "[ . 1 . 2]" 1
553 1 34 GLN H 1 34 GLN QG . . 4.250 3.494 2.316 4.205 . 0 0 "[ . 1 . 2]" 1
554 1 34 GLN H 1 35 TRP H . . 4.460 4.334 4.105 4.490 0.030 5 0 "[ . 1 . 2]" 1
555 1 34 GLN H 1 74 PHE QE . . 4.450 2.952 2.174 3.601 . 0 0 "[ . 1 . 2]" 1
556 1 34 GLN H 1 74 PHE HZ . . 4.690 4.033 3.685 4.613 . 0 0 "[ . 1 . 2]" 1
557 1 34 GLN H 1 75 GLN H . . 3.660 3.192 2.690 3.652 . 0 0 "[ . 1 . 2]" 1
558 1 34 GLN H 1 76 ALA MB . . 4.540 4.264 2.981 4.574 0.034 10 0 "[ . 1 . 2]" 1
559 1 34 GLN HA 1 35 TRP H . . 2.730 2.227 2.139 2.364 . 0 0 "[ . 1 . 2]" 1
560 1 34 GLN QB 1 35 TRP H . . 4.000 3.135 2.482 3.663 . 0 0 "[ . 1 . 2]" 1
561 1 34 GLN QG 1 35 TRP H . . 4.510 3.307 2.399 4.409 . 0 0 "[ . 1 . 2]" 1
562 1 35 TRP H 1 35 TRP QB . . 3.250 2.556 2.440 2.621 . 0 0 "[ . 1 . 2]" 1
563 1 35 TRP H 1 35 TRP HD1 . . 3.940 2.473 2.343 2.797 . 0 0 "[ . 1 . 2]" 1
564 1 35 TRP H 1 44 ALA MB . . 5.500 5.431 5.197 5.527 0.027 19 0 "[ . 1 . 2]" 1
565 1 35 TRP H 1 50 ILE MG . . 4.830 4.253 4.112 4.617 . 0 0 "[ . 1 . 2]" 1
566 1 35 TRP H 1 59 LEU MD2 . . 5.150 5.059 4.812 5.192 0.042 10 0 "[ . 1 . 2]" 1
567 1 35 TRP HA 1 35 TRP HE3 . . 3.640 3.364 3.159 3.427 . 0 0 "[ . 1 . 2]" 1
568 1 35 TRP HA 1 35 TRP HZ3 . . 5.500 5.476 5.247 5.543 0.043 5 0 "[ . 1 . 2]" 1
569 1 35 TRP HA 1 36 LYS H . . 3.040 2.154 2.139 2.187 . 0 0 "[ . 1 . 2]" 1
570 1 35 TRP HA 1 36 LYS HA . . 4.530 4.397 4.390 4.412 . 0 0 "[ . 1 . 2]" 1
571 1 35 TRP HA 1 59 LEU MD1 . . 5.500 5.532 5.511 5.557 0.057 5 0 "[ . 1 . 2]" 1
572 1 35 TRP HA 1 74 PHE HA . . 3.540 2.487 2.342 2.590 . 0 0 "[ . 1 . 2]" 1
573 1 35 TRP HA 1 74 PHE QD . . 4.120 2.244 1.998 2.799 . 0 0 "[ . 1 . 2]" 1
574 1 35 TRP HA 1 75 GLN H . . 4.100 3.559 3.353 3.682 . 0 0 "[ . 1 . 2]" 1
575 1 35 TRP QB 1 35 TRP HD1 . . 3.580 2.674 2.617 2.692 . 0 0 "[ . 1 . 2]" 1
576 1 35 TRP QB 1 35 TRP HE3 . . 3.920 2.478 2.460 2.548 . 0 0 "[ . 1 . 2]" 1
577 1 35 TRP QB 1 36 LYS H . . 3.810 3.199 2.996 3.353 . 0 0 "[ . 1 . 2]" 1
578 1 35 TRP QB 1 59 LEU MD1 . . 5.180 3.221 3.149 3.331 . 0 0 "[ . 1 . 2]" 1
579 1 35 TRP QB 1 59 LEU MD2 . . 4.470 3.282 3.147 3.428 . 0 0 "[ . 1 . 2]" 1
580 1 35 TRP QB 1 59 LEU HG . . 3.840 2.406 2.282 2.520 . 0 0 "[ . 1 . 2]" 1
581 1 35 TRP QB 1 75 GLN H . . 5.500 5.462 5.278 5.568 0.068 5 0 "[ . 1 . 2]" 1
582 1 35 TRP HD1 1 43 ALA MB . . 4.150 3.337 3.305 3.450 . 0 0 "[ . 1 . 2]" 1
583 1 35 TRP HD1 1 50 ILE HA . . 4.720 4.672 4.411 4.768 0.048 19 0 "[ . 1 . 2]" 1
584 1 35 TRP HD1 1 50 ILE HB . . 4.860 4.593 4.457 4.856 . 0 0 "[ . 1 . 2]" 1
585 1 35 TRP HD1 1 50 ILE MD . . 3.340 1.981 1.928 2.252 . 0 0 "[ . 1 . 2]" 1
586 1 35 TRP HD1 1 50 ILE HG12 . . 4.150 2.632 2.453 2.768 . 0 0 "[ . 1 . 2]" 1
587 1 35 TRP HD1 1 50 ILE MG . . 2.810 2.588 2.290 2.778 . 0 0 "[ . 1 . 2]" 1
588 1 35 TRP HD1 1 59 LEU MD2 . . 4.530 3.677 3.375 3.854 . 0 0 "[ . 1 . 2]" 1
589 1 35 TRP HD1 1 59 LEU HG . . 4.810 3.576 3.318 3.912 . 0 0 "[ . 1 . 2]" 1
590 1 35 TRP HE1 1 43 ALA MB . . 5.500 5.534 5.502 5.559 0.059 8 0 "[ . 1 . 2]" 1
591 1 35 TRP HE1 1 50 ILE HB . . 5.500 5.319 5.090 5.498 . 0 0 "[ . 1 . 2]" 1
592 1 35 TRP HE1 1 50 ILE MD . . 4.610 3.752 3.668 3.956 . 0 0 "[ . 1 . 2]" 1
593 1 35 TRP HE1 1 50 ILE HG13 . . 5.500 5.330 5.147 5.478 . 0 0 "[ . 1 . 2]" 1
594 1 35 TRP HE1 1 50 ILE MG . . 3.560 2.424 2.181 2.727 . 0 0 "[ . 1 . 2]" 1
595 1 35 TRP HE1 1 57 HIS HB2 . . 4.310 3.390 3.195 3.643 . 0 0 "[ . 1 . 2]" 1
596 1 35 TRP HE1 1 57 HIS HB3 . . 3.880 2.829 2.573 3.156 . 0 0 "[ . 1 . 2]" 1
597 1 35 TRP HE1 1 59 LEU HA . . 4.740 4.612 4.415 4.762 0.022 10 0 "[ . 1 . 2]" 1
598 1 35 TRP HE1 1 59 LEU HB3 . . 4.770 4.485 4.283 4.699 . 0 0 "[ . 1 . 2]" 1
599 1 35 TRP HE1 1 59 LEU MD2 . . 5.500 4.318 4.087 4.493 . 0 0 "[ . 1 . 2]" 1
600 1 35 TRP HE1 1 59 LEU HG . . 5.090 4.512 4.315 4.718 . 0 0 "[ . 1 . 2]" 1
601 1 35 TRP HE1 1 74 PHE QE . . 3.920 3.229 2.929 3.488 . 0 0 "[ . 1 . 2]" 1
602 1 35 TRP HE1 1 74 PHE HZ . . 4.990 4.771 4.572 4.937 . 0 0 "[ . 1 . 2]" 1
603 1 35 TRP HE3 1 36 LYS H . . 4.750 4.359 3.876 4.618 . 0 0 "[ . 1 . 2]" 1
604 1 35 TRP HE3 1 59 LEU HB3 . . 4.570 4.034 3.852 4.200 . 0 0 "[ . 1 . 2]" 1
605 1 35 TRP HE3 1 59 LEU MD1 . . 4.270 3.911 3.673 4.129 . 0 0 "[ . 1 . 2]" 1
606 1 35 TRP HE3 1 59 LEU HG . . 4.070 3.942 3.585 4.100 0.030 5 0 "[ . 1 . 2]" 1
607 1 35 TRP HE3 1 72 VAL QG . . 2.970 2.837 2.411 2.992 0.022 6 0 "[ . 1 . 2]" 1
608 1 35 TRP HE3 1 74 PHE HA . . 4.570 4.150 3.861 4.308 . 0 0 "[ . 1 . 2]" 1
609 1 35 TRP HE3 1 74 PHE HB2 . . 4.470 2.525 2.150 2.807 . 0 0 "[ . 1 . 2]" 1
610 1 35 TRP HE3 1 74 PHE HB3 . . 4.420 4.136 3.643 4.423 0.003 9 0 "[ . 1 . 2]" 1
611 1 35 TRP HH2 1 58 ILE HA . . 4.990 4.572 4.250 4.789 . 0 0 "[ . 1 . 2]" 1
612 1 35 TRP HH2 1 59 LEU H . . 5.050 4.634 4.377 4.864 . 0 0 "[ . 1 . 2]" 1
613 1 35 TRP HH2 1 59 LEU HB3 . . 5.340 4.432 4.162 4.632 . 0 0 "[ . 1 . 2]" 1
614 1 35 TRP HZ2 1 57 HIS H . . 5.000 4.227 3.982 4.633 . 0 0 "[ . 1 . 2]" 1
615 1 35 TRP HZ2 1 57 HIS HB2 . . 3.470 2.175 1.990 2.501 . 0 0 "[ . 1 . 2]" 1
616 1 35 TRP HZ2 1 57 HIS HB3 . . 3.350 3.146 2.859 3.383 0.033 10 0 "[ . 1 . 2]" 1
617 1 35 TRP HZ2 1 58 ILE H . . 4.850 4.319 4.083 4.591 . 0 0 "[ . 1 . 2]" 1
618 1 35 TRP HZ2 1 58 ILE HA . . 3.800 3.667 3.447 3.836 0.036 8 0 "[ . 1 . 2]" 1
619 1 35 TRP HZ2 1 58 ILE MG . . 5.500 5.398 5.247 5.538 0.038 18 0 "[ . 1 . 2]" 1
620 1 35 TRP HZ2 1 59 LEU H . . 4.650 4.108 3.925 4.249 . 0 0 "[ . 1 . 2]" 1
621 1 35 TRP HZ2 1 59 LEU HB2 . . 4.320 3.683 3.555 3.862 . 0 0 "[ . 1 . 2]" 1
622 1 35 TRP HZ2 1 59 LEU HB3 . . 4.640 4.218 3.922 4.430 . 0 0 "[ . 1 . 2]" 1
623 1 35 TRP HZ2 1 74 PHE QE . . 4.250 4.025 3.798 4.261 0.011 13 0 "[ . 1 . 2]" 1
624 1 35 TRP HZ3 1 59 LEU HB3 . . 4.890 4.347 4.124 4.606 . 0 0 "[ . 1 . 2]" 1
625 1 35 TRP HZ3 1 59 LEU MD1 . . 5.110 4.833 4.498 5.104 . 0 0 "[ . 1 . 2]" 1
626 1 35 TRP HZ3 1 72 VAL MG1 . . 4.410 3.742 2.433 4.414 0.004 8 0 "[ . 1 . 2]" 1
627 1 35 TRP HZ3 1 72 VAL QG . . 3.430 3.132 2.423 3.440 0.010 8 0 "[ . 1 . 2]" 1
628 1 35 TRP HZ3 1 72 VAL MG2 . . 4.410 3.766 3.309 4.482 0.072 18 0 "[ . 1 . 2]" 1
629 1 35 TRP HZ3 1 74 PHE HB2 . . 4.430 3.210 2.922 3.416 . 0 0 "[ . 1 . 2]" 1
630 1 35 TRP HZ3 1 74 PHE HB3 . . 4.170 3.971 3.580 4.183 0.013 3 0 "[ . 1 . 2]" 1
631 1 36 LYS H 1 36 LYS QB . . 3.590 2.504 2.304 3.025 . 0 0 "[ . 1 . 2]" 1
632 1 36 LYS HA 1 37 LEU H . . 3.070 2.205 2.200 2.228 . 0 0 "[ . 1 . 2]" 1
633 1 36 LYS QG 1 37 LEU H . . 5.390 2.870 2.228 4.277 . 0 0 "[ . 1 . 2]" 1
634 1 37 LEU H 1 37 LEU HB2 . . 3.400 2.719 2.560 2.930 . 0 0 "[ . 1 . 2]" 1
635 1 37 LEU H 1 37 LEU MD1 . . 4.890 4.234 3.699 4.540 . 0 0 "[ . 1 . 2]" 1
636 1 37 LEU H 1 37 LEU QD . . 4.190 3.457 2.845 3.946 . 0 0 "[ . 1 . 2]" 1
637 1 37 LEU H 1 37 LEU MD2 . . 4.890 3.839 2.891 4.671 . 0 0 "[ . 1 . 2]" 1
638 1 37 LEU H 1 38 LYS H . . 4.610 4.366 4.316 4.395 . 0 0 "[ . 1 . 2]" 1
639 1 37 LEU H 1 40 GLN H . . 4.400 4.283 3.926 4.406 0.006 11 0 "[ . 1 . 2]" 1
640 1 37 LEU HA 1 39 GLY H . . 4.850 3.975 3.787 4.870 0.020 13 0 "[ . 1 . 2]" 1
641 1 37 LEU HA 1 40 GLN H . . 5.340 4.984 4.459 5.176 . 0 0 "[ . 1 . 2]" 1
642 1 37 LEU HA 1 73 SER H . . 4.280 3.531 3.301 3.840 . 0 0 "[ . 1 . 2]" 1
643 1 37 LEU HB2 1 40 GLN H . . 4.470 3.551 2.584 4.116 . 0 0 "[ . 1 . 2]" 1
644 1 37 LEU HB3 1 38 LYS H . . 3.750 3.276 2.922 3.634 . 0 0 "[ . 1 . 2]" 1
645 1 37 LEU HB3 1 39 GLY H . . 4.490 2.609 2.225 3.901 . 0 0 "[ . 1 . 2]" 1
646 1 37 LEU HB3 1 39 GLY QA . . 5.340 3.684 3.461 4.155 . 0 0 "[ . 1 . 2]" 1
647 1 37 LEU QD 1 38 LYS H . . 3.570 2.579 1.913 3.550 . 0 0 "[ . 1 . 2]" 1
648 1 37 LEU QD 1 72 VAL H . . 4.540 4.251 3.862 4.545 0.005 10 0 "[ . 1 . 2]" 1
649 1 37 LEU QD 1 72 VAL HA . . 4.000 2.179 1.977 2.509 . 0 0 "[ . 1 . 2]" 1
650 1 37 LEU QD 1 72 VAL QG . . 3.770 2.147 1.765 2.714 . 0 0 "[ . 1 . 2]" 1
651 1 37 LEU QD 1 73 SER H . . 4.340 2.633 2.124 2.856 . 0 0 "[ . 1 . 2]" 1
652 1 37 LEU QD 1 73 SER HA . . 5.060 4.939 4.486 5.067 0.007 7 0 "[ . 1 . 2]" 1
653 1 38 LYS H 1 38 LYS QD . . 4.220 3.951 2.064 4.325 0.105 8 0 "[ . 1 . 2]" 1
654 1 38 LYS H 1 38 LYS QG . . 4.150 3.513 1.984 4.055 . 0 0 "[ . 1 . 2]" 1
655 1 38 LYS H 1 39 GLY H . . 4.140 2.818 2.615 3.925 . 0 0 "[ . 1 . 2]" 1
656 1 38 LYS H 1 39 GLY QA . . 5.340 4.588 4.496 4.799 . 0 0 "[ . 1 . 2]" 1
657 1 38 LYS HA 1 38 LYS QD . . 4.350 3.372 2.001 4.341 . 0 0 "[ . 1 . 2]" 1
658 1 38 LYS HA 1 38 LYS QE . . 5.190 4.387 3.191 5.192 0.002 18 0 "[ . 1 . 2]" 1
659 1 38 LYS HA 1 38 LYS QG . . 3.810 2.825 2.246 3.423 . 0 0 "[ . 1 . 2]" 1
660 1 38 LYS HB2 1 38 LYS QE . . 4.160 3.307 2.161 4.089 . 0 0 "[ . 1 . 2]" 1
661 1 38 LYS HB3 1 38 LYS QE . . 4.160 3.608 1.982 4.174 0.014 6 0 "[ . 1 . 2]" 1
662 1 38 LYS QD 1 39 GLY QA . . 5.330 4.668 2.728 5.346 0.016 6 0 "[ . 1 . 2]" 1
663 1 38 LYS QG 1 39 GLY QA . . 4.380 3.651 3.046 4.257 . 0 0 "[ . 1 . 2]" 1
664 1 39 GLY H 1 40 GLN H . . 4.150 2.676 1.894 2.927 . 0 0 "[ . 1 . 2]" 1
665 1 40 GLN H 1 40 GLN HB2 . . 3.770 2.293 2.200 2.706 . 0 0 "[ . 1 . 2]" 1
666 1 40 GLN H 1 40 GLN QB . . 3.080 2.266 2.178 2.646 . 0 0 "[ . 1 . 2]" 1
667 1 40 GLN H 1 40 GLN HB3 . . 3.770 3.553 3.488 3.737 . 0 0 "[ . 1 . 2]" 1
668 1 40 GLN H 1 40 GLN QG . . 3.700 3.058 2.536 3.534 . 0 0 "[ . 1 . 2]" 1
669 1 40 GLN H 1 41 PRO QD . . 4.570 4.320 3.882 4.376 . 0 0 "[ . 1 . 2]" 1
670 1 40 GLN HA 1 41 PRO QD . . 3.490 2.103 1.853 2.140 . 0 0 "[ . 1 . 2]" 1
671 1 40 GLN QB 1 41 PRO QD . . 3.690 2.119 1.954 3.493 . 0 0 "[ . 1 . 2]" 1
672 1 40 GLN QB 1 46 PRO HD2 . . 5.170 5.157 5.118 5.185 0.015 12 0 "[ . 1 . 2]" 1
673 1 40 GLN QG 1 46 PRO HD2 . . 4.860 4.459 3.777 4.878 0.018 11 0 "[ . 1 . 2]" 1
674 1 41 PRO HB2 1 42 LEU QB . . 4.360 3.784 3.402 4.061 . 0 0 "[ . 1 . 2]" 1
675 1 41 PRO HB3 1 42 LEU H . . 3.980 3.893 3.418 3.985 0.005 10 0 "[ . 1 . 2]" 1
676 1 42 LEU H 1 42 LEU HB2 . . 4.010 3.377 2.885 3.981 . 0 0 "[ . 1 . 2]" 1
677 1 42 LEU H 1 42 LEU QB . . 3.290 2.981 2.560 3.391 0.101 11 0 "[ . 1 . 2]" 1
678 1 42 LEU H 1 42 LEU HB3 . . 4.010 3.634 2.617 4.026 0.016 11 0 "[ . 1 . 2]" 1
679 1 42 LEU H 1 42 LEU QD . . 4.390 3.027 2.242 3.608 . 0 0 "[ . 1 . 2]" 1
680 1 42 LEU H 1 42 LEU HG . . 3.480 2.951 2.263 3.361 . 0 0 "[ . 1 . 2]" 1
681 1 42 LEU HA 1 42 LEU QD . . 4.050 2.835 2.123 3.423 . 0 0 "[ . 1 . 2]" 1
682 1 42 LEU HA 1 43 ALA H . . 2.950 2.665 2.214 2.739 . 0 0 "[ . 1 . 2]" 1
683 1 42 LEU QB 1 43 ALA H . . 3.120 2.005 1.906 2.896 . 0 0 "[ . 1 . 2]" 1
684 1 42 LEU QD 1 43 ALA H . . 3.640 3.201 2.705 3.590 . 0 0 "[ . 1 . 2]" 1
685 1 42 LEU HG 1 43 ALA H . . 4.800 4.147 2.729 4.768 . 0 0 "[ . 1 . 2]" 1
686 1 43 ALA H 1 43 ALA MB . . 3.560 2.287 2.262 2.355 . 0 0 "[ . 1 . 2]" 1
687 1 43 ALA H 1 44 ALA H . . 4.820 4.587 4.527 4.592 . 0 0 "[ . 1 . 2]" 1
688 1 43 ALA H 1 50 ILE MD . . 5.000 4.871 4.742 4.965 . 0 0 "[ . 1 . 2]" 1
689 1 43 ALA HA 1 50 ILE MD . . 3.990 3.216 3.134 3.370 . 0 0 "[ . 1 . 2]" 1
690 1 43 ALA MB 1 44 ALA HA . . 4.300 4.122 4.066 4.149 . 0 0 "[ . 1 . 2]" 1
691 1 43 ALA MB 1 50 ILE HB . . 4.970 4.976 4.928 5.003 0.033 19 0 "[ . 1 . 2]" 1
692 1 43 ALA MB 1 50 ILE MD . . 3.420 2.057 1.916 2.168 . 0 0 "[ . 1 . 2]" 1
693 1 43 ALA MB 1 50 ILE HG12 . . 4.520 4.274 4.122 4.401 . 0 0 "[ . 1 . 2]" 1
694 1 43 ALA MB 1 50 ILE MG . . 4.210 4.084 4.035 4.132 . 0 0 "[ . 1 . 2]" 1
695 1 43 ALA MB 1 59 LEU MD2 . . 4.560 4.466 4.341 4.579 0.019 11 0 "[ . 1 . 2]" 1
696 1 44 ALA H 1 44 ALA HA . . 2.850 2.279 2.277 2.281 . 0 0 "[ . 1 . 2]" 1
697 1 44 ALA H 1 44 ALA MB . . 3.070 2.899 2.889 2.913 . 0 0 "[ . 1 . 2]" 1
698 1 44 ALA H 1 45 SER H . . 4.390 2.613 2.546 2.670 . 0 0 "[ . 1 . 2]" 1
699 1 44 ALA H 1 50 ILE MD . . 3.760 1.840 1.831 1.860 . 0 0 "[ . 1 . 2]" 1
700 1 44 ALA HA 1 45 SER H . . 2.920 2.820 2.708 2.939 0.019 15 0 "[ . 1 . 2]" 1
701 1 44 ALA HA 1 48 CYS H . . 5.320 5.326 5.273 5.351 0.031 15 0 "[ . 1 . 2]" 1
702 1 44 ALA HA 1 48 CYS HB2 . . 4.260 3.904 3.736 4.069 . 0 0 "[ . 1 . 2]" 1
703 1 44 ALA HA 1 48 CYS HB3 . . 5.150 5.110 4.958 5.164 0.014 12 0 "[ . 1 . 2]" 1
704 1 44 ALA HA 1 50 ILE MD . . 4.480 2.444 2.214 2.626 . 0 0 "[ . 1 . 2]" 1
705 1 44 ALA MB 1 45 SER H . . 3.730 3.673 3.620 3.708 . 0 0 "[ . 1 . 2]" 1
706 1 44 ALA MB 1 50 ILE MD . . 3.820 2.384 2.174 2.573 . 0 0 "[ . 1 . 2]" 1
707 1 44 ALA MB 1 50 ILE HG12 . . 5.180 4.925 4.699 5.064 . 0 0 "[ . 1 . 2]" 1
708 1 44 ALA MB 1 50 ILE HG13 . . 4.030 3.916 3.674 4.033 0.003 6 0 "[ . 1 . 2]" 1
709 1 44 ALA MB 1 50 ILE MG . . 4.280 4.210 3.895 4.298 0.018 9 0 "[ . 1 . 2]" 1
710 1 45 SER H 1 48 CYS H . . 4.300 4.196 3.944 4.312 0.012 14 0 "[ . 1 . 2]" 1
711 1 45 SER H 1 48 CYS HB2 . . 3.750 2.824 2.607 3.014 . 0 0 "[ . 1 . 2]" 1
712 1 45 SER H 1 48 CYS HB3 . . 4.670 4.431 4.169 4.672 0.002 8 0 "[ . 1 . 2]" 1
713 1 45 SER H 1 50 ILE MD . . 4.980 3.905 3.801 3.981 . 0 0 "[ . 1 . 2]" 1
714 1 45 SER HA 1 46 PRO HA . . 4.460 4.386 4.385 4.387 . 0 0 "[ . 1 . 2]" 1
715 1 45 SER HA 1 46 PRO HD2 . . 3.150 2.530 2.525 2.539 . 0 0 "[ . 1 . 2]" 1
716 1 45 SER HA 1 46 PRO HD3 . . 3.930 2.357 2.354 2.362 . 0 0 "[ . 1 . 2]" 1
717 1 45 SER QB 1 47 ASP H . . 4.840 2.141 2.082 2.181 . 0 0 "[ . 1 . 2]" 1
718 1 45 SER HB2 1 48 CYS H . . 5.080 3.221 2.519 3.817 . 0 0 "[ . 1 . 2]" 1
719 1 45 SER HB3 1 48 CYS H . . 5.080 4.098 2.874 4.843 . 0 0 "[ . 1 . 2]" 1
720 1 46 PRO HA 1 48 CYS H . . 5.500 3.952 3.828 4.265 . 0 0 "[ . 1 . 2]" 1
721 1 46 PRO QB 1 47 ASP H . . 4.090 3.594 3.588 3.603 . 0 0 "[ . 1 . 2]" 1
722 1 46 PRO HD3 1 47 ASP H . . 5.500 3.949 3.945 3.954 . 0 0 "[ . 1 . 2]" 1
723 1 46 PRO QG 1 47 ASP H . . 4.560 3.006 2.993 3.022 . 0 0 "[ . 1 . 2]" 1
724 1 47 ASP H 1 47 ASP HB2 . . 4.210 2.700 2.371 3.784 . 0 0 "[ . 1 . 2]" 1
725 1 47 ASP H 1 47 ASP QB . . 3.670 2.520 2.340 3.052 . 0 0 "[ . 1 . 2]" 1
726 1 47 ASP H 1 47 ASP HB3 . . 4.210 3.441 2.559 3.779 . 0 0 "[ . 1 . 2]" 1
727 1 47 ASP H 1 48 CYS H . . 3.460 2.152 1.970 2.255 . 0 0 "[ . 1 . 2]" 1
728 1 48 CYS H 1 48 CYS HB2 . . 3.550 2.786 2.636 2.883 . 0 0 "[ . 1 . 2]" 1
729 1 48 CYS H 1 48 CYS HB3 . . 3.970 3.830 3.721 3.893 . 0 0 "[ . 1 . 2]" 1
730 1 48 CYS H 1 49 GLU H . . 4.640 4.465 4.433 4.532 . 0 0 "[ . 1 . 2]" 1
731 1 48 CYS H 1 49 GLU QG . . 5.090 4.619 4.409 4.960 . 0 0 "[ . 1 . 2]" 1
732 1 48 CYS H 1 61 LEU QD . . 5.440 5.146 4.816 5.414 . 0 0 "[ . 1 . 2]" 1
733 1 48 CYS HA 1 49 GLU H . . 2.920 2.433 2.414 2.473 . 0 0 "[ . 1 . 2]" 1
734 1 48 CYS HA 1 61 LEU HA . . 3.740 3.423 3.100 3.668 . 0 0 "[ . 1 . 2]" 1
735 1 48 CYS HA 1 61 LEU QD . . 4.400 4.161 3.590 4.443 0.043 11 0 "[ . 1 . 2]" 1
736 1 48 CYS HA 1 62 HIS H . . 4.240 3.860 3.586 4.108 . 0 0 "[ . 1 . 2]" 1
737 1 48 CYS HA 1 62 HIS HE1 . . 4.600 3.978 3.280 4.605 0.005 9 0 "[ . 1 . 2]" 1
738 1 48 CYS HB2 1 61 LEU QD . . 4.690 4.270 3.434 4.633 . 0 0 "[ . 1 . 2]" 1
739 1 48 CYS HB3 1 49 GLU H . . 4.830 2.426 2.351 2.472 . 0 0 "[ . 1 . 2]" 1
740 1 48 CYS HB3 1 61 LEU QD . . 4.390 3.646 2.587 4.057 . 0 0 "[ . 1 . 2]" 1
741 1 49 GLU H 1 49 GLU HB2 . . 3.840 2.629 2.576 2.784 . 0 0 "[ . 1 . 2]" 1
742 1 49 GLU H 1 49 GLU HG2 . . 4.660 3.904 3.387 4.524 . 0 0 "[ . 1 . 2]" 1
743 1 49 GLU H 1 49 GLU QG . . 3.790 3.392 2.930 3.606 . 0 0 "[ . 1 . 2]" 1
744 1 49 GLU H 1 49 GLU HG3 . . 4.660 4.008 2.983 4.570 . 0 0 "[ . 1 . 2]" 1
745 1 49 GLU H 1 50 ILE H . . 4.740 4.228 4.018 4.296 . 0 0 "[ . 1 . 2]" 1
746 1 49 GLU H 1 59 LEU HA . . 4.420 4.301 4.018 4.428 0.008 16 0 "[ . 1 . 2]" 1
747 1 49 GLU H 1 60 ILE H . . 4.110 2.824 2.578 3.050 . 0 0 "[ . 1 . 2]" 1
748 1 49 GLU H 1 60 ILE HB . . 3.930 3.066 2.819 3.363 . 0 0 "[ . 1 . 2]" 1
749 1 49 GLU H 1 60 ILE MD . . 4.750 4.486 2.713 4.800 0.050 8 0 "[ . 1 . 2]" 1
750 1 49 GLU H 1 60 ILE QG . . 4.440 3.973 3.438 4.454 0.014 1 0 "[ . 1 . 2]" 1
751 1 49 GLU H 1 60 ILE MG . . 4.670 4.494 4.312 4.681 0.011 9 0 "[ . 1 . 2]" 1
752 1 49 GLU H 1 61 LEU QD . . 5.420 5.154 4.210 5.431 0.011 8 0 "[ . 1 . 2]" 1
753 1 49 GLU H 1 62 HIS HE1 . . 5.040 4.688 3.843 5.034 . 0 0 "[ . 1 . 2]" 1
754 1 49 GLU HA 1 49 GLU HG2 . . 4.040 2.512 2.179 2.865 . 0 0 "[ . 1 . 2]" 1
755 1 49 GLU HA 1 49 GLU HG3 . . 4.040 3.357 2.729 3.696 . 0 0 "[ . 1 . 2]" 1
756 1 49 GLU HA 1 50 ILE H . . 2.730 2.150 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
757 1 49 GLU HA 1 60 ILE HB . . 5.310 5.266 5.107 5.335 0.025 9 0 "[ . 1 . 2]" 1
758 1 49 GLU HB2 1 58 ILE MG . . 5.500 5.267 4.862 5.505 0.005 1 0 "[ . 1 . 2]" 1
759 1 49 GLU HB2 1 60 ILE H . . 4.070 3.601 3.463 3.870 . 0 0 "[ . 1 . 2]" 1
760 1 49 GLU HB2 1 60 ILE HB . . 4.140 2.795 2.627 2.928 . 0 0 "[ . 1 . 2]" 1
761 1 49 GLU HB2 1 60 ILE MD . . 4.160 3.067 1.925 4.177 0.017 4 0 "[ . 1 . 2]" 1
762 1 49 GLU HB2 1 60 ILE MG . . 4.210 4.173 4.038 4.240 0.030 17 0 "[ . 1 . 2]" 1
763 1 49 GLU HB2 1 62 HIS HE1 . . 4.460 4.258 3.455 4.470 0.010 13 0 "[ . 1 . 2]" 1
764 1 49 GLU QG 1 50 ILE H . . 5.160 4.159 3.703 4.648 . 0 0 "[ . 1 . 2]" 1
765 1 50 ILE H 1 50 ILE HB . . 3.410 2.580 2.489 2.607 . 0 0 "[ . 1 . 2]" 1
766 1 50 ILE H 1 50 ILE HG13 . . 3.760 2.818 2.564 2.929 . 0 0 "[ . 1 . 2]" 1
767 1 50 ILE H 1 50 ILE MG . . 4.220 3.817 3.782 3.833 . 0 0 "[ . 1 . 2]" 1
768 1 50 ILE H 1 51 ILE H . . 5.000 4.151 4.122 4.263 . 0 0 "[ . 1 . 2]" 1
769 1 50 ILE HA 1 50 ILE MD . . 4.590 3.819 3.791 3.836 . 0 0 "[ . 1 . 2]" 1
770 1 50 ILE HA 1 50 ILE MG . . 3.360 2.405 2.358 2.438 . 0 0 "[ . 1 . 2]" 1
771 1 50 ILE HA 1 51 ILE H . . 2.940 2.161 2.153 2.165 . 0 0 "[ . 1 . 2]" 1
772 1 50 ILE HA 1 51 ILE MD . . 5.500 5.109 5.047 5.247 . 0 0 "[ . 1 . 2]" 1
773 1 50 ILE HA 1 58 ILE MG . . 4.510 3.787 3.522 4.132 . 0 0 "[ . 1 . 2]" 1
774 1 50 ILE HA 1 59 LEU MD2 . . 4.330 2.717 2.368 2.918 . 0 0 "[ . 1 . 2]" 1
775 1 50 ILE HB 1 50 ILE MD . . 3.730 2.431 2.407 2.454 . 0 0 "[ . 1 . 2]" 1
776 1 50 ILE MD 1 50 ILE MG . . 3.210 1.908 1.889 1.925 . 0 0 "[ . 1 . 2]" 1
777 1 50 ILE MD 1 59 LEU MD2 . . 3.830 2.910 2.799 3.045 . 0 0 "[ . 1 . 2]" 1
778 1 50 ILE HG12 1 50 ILE MG . . 3.470 2.371 2.323 2.414 . 0 0 "[ . 1 . 2]" 1
779 1 50 ILE HG12 1 59 LEU HA . . 4.760 3.397 3.237 3.637 . 0 0 "[ . 1 . 2]" 1
780 1 50 ILE HG12 1 59 LEU MD1 . . 4.630 4.427 4.265 4.541 . 0 0 "[ . 1 . 2]" 1
781 1 50 ILE HG12 1 59 LEU MD2 . . 4.020 1.945 1.912 1.968 . 0 0 "[ . 1 . 2]" 1
782 1 50 ILE HG13 1 59 LEU HG . . 4.640 4.446 4.091 4.646 0.006 3 0 "[ . 1 . 2]" 1
783 1 50 ILE MG 1 51 ILE H . . 3.550 3.072 2.841 3.150 . 0 0 "[ . 1 . 2]" 1
784 1 50 ILE MG 1 51 ILE HA . . 4.040 3.692 3.637 3.780 . 0 0 "[ . 1 . 2]" 1
785 1 50 ILE MG 1 52 GLU H . . 4.520 4.018 3.505 4.375 . 0 0 "[ . 1 . 2]" 1
786 1 50 ILE MG 1 57 HIS HB2 . . 5.000 4.740 4.564 4.929 . 0 0 "[ . 1 . 2]" 1
787 1 50 ILE MG 1 59 LEU MD2 . . 3.930 3.544 3.381 3.642 . 0 0 "[ . 1 . 2]" 1
788 1 51 ILE H 1 51 ILE HB . . 3.580 2.478 2.457 2.490 . 0 0 "[ . 1 . 2]" 1
789 1 51 ILE H 1 51 ILE QG . . 3.830 3.040 2.994 3.099 . 0 0 "[ . 1 . 2]" 1
790 1 51 ILE H 1 51 ILE MG . . 3.780 3.724 3.691 3.744 . 0 0 "[ . 1 . 2]" 1
791 1 51 ILE H 1 58 ILE H . . 4.110 3.451 3.146 3.760 . 0 0 "[ . 1 . 2]" 1
792 1 51 ILE H 1 58 ILE MG . . 4.050 2.300 2.026 2.672 . 0 0 "[ . 1 . 2]" 1
793 1 51 ILE HA 1 51 ILE MD . . 4.250 2.009 1.950 2.055 . 0 0 "[ . 1 . 2]" 1
794 1 51 ILE HA 1 51 ILE QG . . 3.560 2.718 2.643 2.745 . 0 0 "[ . 1 . 2]" 1
795 1 51 ILE HA 1 51 ILE MG . . 3.510 2.479 2.454 2.528 . 0 0 "[ . 1 . 2]" 1
796 1 51 ILE HA 1 52 GLU H . . 2.770 2.157 2.140 2.187 . 0 0 "[ . 1 . 2]" 1
797 1 51 ILE HB 1 51 ILE MD . . 3.390 3.220 3.215 3.229 . 0 0 "[ . 1 . 2]" 1
798 1 51 ILE HB 1 53 ASP H . . 5.500 5.260 5.118 5.366 . 0 0 "[ . 1 . 2]" 1
799 1 51 ILE HB 1 58 ILE H . . 4.390 4.016 3.865 4.137 . 0 0 "[ . 1 . 2]" 1
800 1 51 ILE HB 1 58 ILE MG . . 3.930 1.988 1.950 2.011 . 0 0 "[ . 1 . 2]" 1
801 1 51 ILE MD 1 52 GLU H . . 3.970 3.239 2.966 3.450 . 0 0 "[ . 1 . 2]" 1
802 1 51 ILE MD 1 52 GLU HA . . 5.470 5.413 5.285 5.507 0.037 2 0 "[ . 1 . 2]" 1
803 1 51 ILE MD 1 53 ASP QB . . 5.200 5.207 5.084 5.281 0.081 8 0 "[ . 1 . 2]" 1
804 1 51 ILE QG 1 51 ILE MG . . 3.010 2.269 2.256 2.320 . 0 0 "[ . 1 . 2]" 1
805 1 51 ILE HG12 1 51 ILE MG . . 3.450 3.194 3.190 3.197 . 0 0 "[ . 1 . 2]" 1
806 1 51 ILE HG13 1 51 ILE MG . . 3.450 2.321 2.307 2.382 . 0 0 "[ . 1 . 2]" 1
807 1 51 ILE MG 1 52 GLU H . . 3.650 2.603 2.195 3.076 . 0 0 "[ . 1 . 2]" 1
808 1 51 ILE MG 1 52 GLU HA . . 4.460 3.677 3.467 3.864 . 0 0 "[ . 1 . 2]" 1
809 1 51 ILE MG 1 53 ASP H . . 4.000 3.324 3.180 3.439 . 0 0 "[ . 1 . 2]" 1
810 1 51 ILE MG 1 53 ASP HA . . 4.420 3.862 3.664 4.033 . 0 0 "[ . 1 . 2]" 1
811 1 51 ILE MG 1 53 ASP HB2 . . 4.150 2.991 2.725 4.241 0.091 19 0 "[ . 1 . 2]" 1
812 1 51 ILE MG 1 53 ASP HB3 . . 4.150 3.769 2.750 4.150 0.000 2 0 "[ . 1 . 2]" 1
813 1 51 ILE MG 1 58 ILE H . . 4.040 4.005 3.694 4.073 0.033 5 0 "[ . 1 . 2]" 1
814 1 51 ILE MG 1 58 ILE HB . . 4.390 4.432 4.340 4.465 0.075 13 0 "[ . 1 . 2]" 1
815 1 52 GLU H 1 52 GLU QB . . 3.290 2.718 2.279 3.126 . 0 0 "[ . 1 . 2]" 1
816 1 52 GLU H 1 52 GLU HG2 . . 4.960 3.024 1.950 4.732 . 0 0 "[ . 1 . 2]" 1
817 1 52 GLU H 1 52 GLU QG . . 4.170 2.625 1.921 4.140 . 0 0 "[ . 1 . 2]" 1
818 1 52 GLU H 1 52 GLU HG3 . . 4.960 3.461 2.009 4.785 . 0 0 "[ . 1 . 2]" 1
819 1 52 GLU HA 1 52 GLU HG2 . . 4.150 3.513 2.362 4.186 0.036 1 0 "[ . 1 . 2]" 1
820 1 52 GLU HA 1 52 GLU HG3 . . 4.150 3.578 2.494 4.166 0.016 20 0 "[ . 1 . 2]" 1
821 1 52 GLU HA 1 53 ASP H . . 2.860 2.182 2.178 2.199 . 0 0 "[ . 1 . 2]" 1
822 1 52 GLU HA 1 58 ILE H . . 4.080 3.384 3.225 3.591 . 0 0 "[ . 1 . 2]" 1
823 1 52 GLU HB2 1 53 ASP H . . 5.210 4.092 3.817 4.537 . 0 0 "[ . 1 . 2]" 1
824 1 52 GLU HB3 1 53 ASP H . . 5.210 4.298 3.836 4.531 . 0 0 "[ . 1 . 2]" 1
825 1 53 ASP H 1 53 ASP HB2 . . 3.830 2.968 2.601 3.688 . 0 0 "[ . 1 . 2]" 1
826 1 53 ASP H 1 53 ASP QB . . 3.290 2.348 2.290 2.797 . 0 0 "[ . 1 . 2]" 1
827 1 53 ASP H 1 53 ASP HB3 . . 3.830 2.477 2.368 2.898 . 0 0 "[ . 1 . 2]" 1
828 1 53 ASP HA 1 54 GLY H . . 2.700 2.172 2.143 2.195 . 0 0 "[ . 1 . 2]" 1
829 1 53 ASP HB2 1 54 GLY H . . 4.620 4.353 3.716 4.587 . 0 0 "[ . 1 . 2]" 1
830 1 53 ASP HB3 1 54 GLY H . . 4.620 4.423 4.135 4.526 . 0 0 "[ . 1 . 2]" 1
831 1 55 LYS HA 1 55 LYS HD2 . . 5.500 4.177 3.700 5.509 0.009 7 0 "[ . 1 . 2]" 1
832 1 55 LYS HA 1 55 LYS HD3 . . 5.500 4.895 4.567 5.176 . 0 0 "[ . 1 . 2]" 1
833 1 55 LYS HA 1 55 LYS QE . . 5.500 4.307 3.757 5.319 . 0 0 "[ . 1 . 2]" 1
834 1 55 LYS HA 1 55 LYS QG . . 3.650 3.304 2.551 3.419 . 0 0 "[ . 1 . 2]" 1
835 1 55 LYS HA 1 57 HIS HE1 . . 5.010 4.370 3.642 4.831 . 0 0 "[ . 1 . 2]" 1
836 1 55 LYS HB2 1 55 LYS QE . . 4.280 3.348 2.439 3.962 . 0 0 "[ . 1 . 2]" 1
837 1 55 LYS HB3 1 55 LYS QE . . 4.280 2.321 1.977 3.452 . 0 0 "[ . 1 . 2]" 1
838 1 55 LYS HD2 1 56 LYS HA . . 5.500 4.531 3.191 5.526 0.026 2 0 "[ . 1 . 2]" 1
839 1 55 LYS HD3 1 56 LYS HA . . 5.500 4.821 3.243 5.605 0.105 12 0 "[ . 1 . 2]" 1
840 1 55 LYS QG 1 56 LYS HA . . 4.330 3.442 3.157 3.826 . 0 0 "[ . 1 . 2]" 1
841 1 55 LYS QG 1 56 LYS QB . . 4.430 3.639 3.004 4.465 0.035 9 0 "[ . 1 . 2]" 1
842 1 55 LYS QG 1 57 HIS HE1 . . 4.890 4.820 3.834 4.989 0.099 13 0 "[ . 1 . 2]" 1
843 1 56 LYS H 1 56 LYS QB . . 3.490 2.570 2.273 2.812 . 0 0 "[ . 1 . 2]" 1
844 1 56 LYS H 1 56 LYS QG . . 3.700 2.552 1.949 4.059 0.359 18 0 "[ . 1 . 2]" 1
845 1 56 LYS H 1 57 HIS H . . 4.780 4.561 4.499 4.600 . 0 0 "[ . 1 . 2]" 1
846 1 56 LYS HA 1 57 HIS H . . 2.920 2.288 2.198 2.358 . 0 0 "[ . 1 . 2]" 1
847 1 56 LYS HA 1 57 HIS HB2 . . 5.000 4.816 4.738 4.875 . 0 0 "[ . 1 . 2]" 1
848 1 56 LYS HA 1 57 HIS HE1 . . 4.170 4.080 3.952 4.226 0.056 18 0 "[ . 1 . 2]" 1
849 1 56 LYS QB 1 57 HIS H . . 3.700 2.807 2.513 3.573 . 0 0 "[ . 1 . 2]" 1
850 1 56 LYS HB2 1 57 HIS H . . 4.290 3.053 2.548 4.036 . 0 0 "[ . 1 . 2]" 1
851 1 56 LYS HB3 1 57 HIS H . . 4.290 3.820 2.688 4.244 . 0 0 "[ . 1 . 2]" 1
852 1 56 LYS QG 1 57 HIS H . . 4.150 3.475 2.160 4.160 0.010 13 0 "[ . 1 . 2]" 1
853 1 57 HIS H 1 57 HIS HB2 . . 3.820 2.879 2.785 2.954 . 0 0 "[ . 1 . 2]" 1
854 1 57 HIS H 1 57 HIS HE1 . . 4.860 4.619 4.405 4.750 . 0 0 "[ . 1 . 2]" 1
855 1 57 HIS H 1 58 ILE MD . . 5.500 5.415 5.249 5.527 0.027 18 0 "[ . 1 . 2]" 1
856 1 57 HIS HA 1 58 ILE HA . . 4.500 4.391 4.387 4.415 . 0 0 "[ . 1 . 2]" 1
857 1 57 HIS HA 1 58 ILE MG . . 4.310 3.914 3.839 3.967 . 0 0 "[ . 1 . 2]" 1
858 1 57 HIS HB2 1 57 HIS HE1 . . 5.010 4.807 4.793 4.822 . 0 0 "[ . 1 . 2]" 1
859 1 57 HIS HB2 1 58 ILE H . . 4.750 4.055 3.745 4.168 . 0 0 "[ . 1 . 2]" 1
860 1 57 HIS HB2 1 74 PHE QE . . 4.360 3.835 3.687 3.939 . 0 0 "[ . 1 . 2]" 1
861 1 57 HIS HB3 1 58 ILE H . . 4.370 3.404 2.927 3.529 . 0 0 "[ . 1 . 2]" 1
862 1 57 HIS HB3 1 59 LEU HB2 . . 5.500 5.254 5.108 5.331 . 0 0 "[ . 1 . 2]" 1
863 1 57 HIS HB3 1 74 PHE QE . . 4.130 4.107 3.862 4.166 0.036 8 0 "[ . 1 . 2]" 1
864 1 57 HIS HB3 1 74 PHE HZ . . 4.570 4.177 3.933 4.571 0.001 9 0 "[ . 1 . 2]" 1
865 1 57 HIS HD2 1 74 PHE QE . . 5.120 4.924 4.496 5.148 0.028 8 0 "[ . 1 . 2]" 1
866 1 57 HIS HD2 1 74 PHE HZ . . 4.600 4.435 4.045 4.612 0.012 8 0 "[ . 1 . 2]" 1
867 1 57 HIS HE1 1 74 PHE QE . . 4.790 4.783 4.547 4.840 0.050 19 0 "[ . 1 . 2]" 1
868 1 57 HIS HE1 1 74 PHE HZ . . 4.360 4.284 4.019 4.385 0.025 13 0 "[ . 1 . 2]" 1
869 1 58 ILE H 1 58 ILE HB . . 3.650 2.845 2.779 3.033 . 0 0 "[ . 1 . 2]" 1
870 1 58 ILE H 1 58 ILE HG12 . . 5.100 4.838 4.794 4.925 . 0 0 "[ . 1 . 2]" 1
871 1 58 ILE H 1 58 ILE QG . . 4.320 4.134 4.103 4.166 . 0 0 "[ . 1 . 2]" 1
872 1 58 ILE H 1 58 ILE HG13 . . 5.100 4.489 4.459 4.518 . 0 0 "[ . 1 . 2]" 1
873 1 58 ILE H 1 58 ILE MG . . 4.350 2.102 2.055 2.161 . 0 0 "[ . 1 . 2]" 1
874 1 58 ILE H 1 59 LEU H . . 4.850 4.458 4.375 4.486 . 0 0 "[ . 1 . 2]" 1
875 1 58 ILE HA 1 58 ILE MD . . 4.300 2.233 1.987 2.657 . 0 0 "[ . 1 . 2]" 1
876 1 58 ILE HA 1 58 ILE HG12 . . 4.180 3.679 3.662 3.695 . 0 0 "[ . 1 . 2]" 1
877 1 58 ILE HA 1 58 ILE QG . . 3.650 2.637 2.434 2.777 . 0 0 "[ . 1 . 2]" 1
878 1 58 ILE HA 1 58 ILE HG13 . . 4.180 2.704 2.471 2.876 . 0 0 "[ . 1 . 2]" 1
879 1 58 ILE HA 1 58 ILE MG . . 3.630 3.190 3.185 3.198 . 0 0 "[ . 1 . 2]" 1
880 1 58 ILE HA 1 59 LEU H . . 3.030 2.176 2.168 2.183 . 0 0 "[ . 1 . 2]" 1
881 1 58 ILE MD 1 58 ILE MG . . 3.350 3.208 3.103 3.250 . 0 0 "[ . 1 . 2]" 1
882 1 58 ILE QG 1 59 LEU H . . 4.210 2.411 2.246 2.597 . 0 0 "[ . 1 . 2]" 1
883 1 58 ILE QG 1 60 ILE MD . . 4.370 3.287 1.925 3.718 . 0 0 "[ . 1 . 2]" 1
884 1 58 ILE HG12 1 58 ILE MG . . 3.650 2.251 2.080 2.353 . 0 0 "[ . 1 . 2]" 1
885 1 58 ILE HG12 1 59 LEU H . . 4.820 4.104 3.964 4.194 . 0 0 "[ . 1 . 2]" 1
886 1 58 ILE HG13 1 58 ILE MG . . 3.650 2.510 2.371 2.717 . 0 0 "[ . 1 . 2]" 1
887 1 58 ILE HG13 1 59 LEU H . . 4.820 2.428 2.258 2.622 . 0 0 "[ . 1 . 2]" 1
888 1 58 ILE MG 1 59 LEU HA . . 4.890 3.733 3.618 3.800 . 0 0 "[ . 1 . 2]" 1
889 1 58 ILE MG 1 60 ILE H . . 4.360 4.369 4.278 4.391 0.031 12 0 "[ . 1 . 2]" 1
890 1 58 ILE MG 1 60 ILE QG . . 3.480 3.299 3.134 3.506 0.026 8 0 "[ . 1 . 2]" 1
891 1 59 LEU H 1 59 LEU HB2 . . 3.700 3.162 3.125 3.193 . 0 0 "[ . 1 . 2]" 1
892 1 59 LEU H 1 59 LEU HB3 . . 4.030 2.657 2.639 2.676 . 0 0 "[ . 1 . 2]" 1
893 1 59 LEU H 1 59 LEU MD1 . . 5.140 3.886 3.834 3.989 . 0 0 "[ . 1 . 2]" 1
894 1 59 LEU H 1 59 LEU MD2 . . 4.890 4.200 4.193 4.208 . 0 0 "[ . 1 . 2]" 1
895 1 59 LEU H 1 60 ILE H . . 4.280 4.216 4.173 4.256 . 0 0 "[ . 1 . 2]" 1
896 1 59 LEU HA 1 59 LEU MD2 . . 3.560 1.935 1.922 1.945 . 0 0 "[ . 1 . 2]" 1
897 1 59 LEU HA 1 59 LEU HG . . 4.270 3.676 3.664 3.686 . 0 0 "[ . 1 . 2]" 1
898 1 59 LEU HA 1 60 ILE H . . 2.870 2.140 2.139 2.143 . 0 0 "[ . 1 . 2]" 1
899 1 59 LEU HA 1 60 ILE QG . . 4.740 3.467 3.415 3.821 . 0 0 "[ . 1 . 2]" 1
900 1 59 LEU HB3 1 60 ILE H . . 4.580 4.287 4.245 4.330 . 0 0 "[ . 1 . 2]" 1
901 1 59 LEU MD1 1 60 ILE H . . 3.600 3.277 3.160 3.400 . 0 0 "[ . 1 . 2]" 1
902 1 59 LEU MD1 1 60 ILE HA . . 5.410 3.364 3.210 3.474 . 0 0 "[ . 1 . 2]" 1
903 1 59 LEU MD1 1 61 LEU QB . . 4.450 2.345 1.902 2.893 . 0 0 "[ . 1 . 2]" 1
904 1 59 LEU MD2 1 60 ILE HB . . 4.410 4.046 3.981 4.191 . 0 0 "[ . 1 . 2]" 1
905 1 60 ILE H 1 60 ILE HB . . 3.600 2.762 2.717 2.852 . 0 0 "[ . 1 . 2]" 1
906 1 60 ILE H 1 60 ILE HG12 . . 3.860 3.190 2.090 3.885 0.025 1 0 "[ . 1 . 2]" 1
907 1 60 ILE H 1 60 ILE QG . . 3.140 2.214 2.078 2.642 . 0 0 "[ . 1 . 2]" 1
908 1 60 ILE H 1 60 ILE HG13 . . 3.860 2.480 2.161 3.744 . 0 0 "[ . 1 . 2]" 1
909 1 60 ILE HA 1 60 ILE MD . . 3.950 3.611 2.160 3.880 . 0 0 "[ . 1 . 2]" 1
910 1 60 ILE HA 1 60 ILE QG . . 3.700 2.657 2.520 3.199 . 0 0 "[ . 1 . 2]" 1
911 1 60 ILE HA 1 60 ILE MG . . 3.520 2.253 2.078 2.313 . 0 0 "[ . 1 . 2]" 1
912 1 60 ILE HA 1 61 LEU H . . 2.920 2.149 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
913 1 60 ILE HB 1 62 HIS HE1 . . 4.390 3.208 2.692 3.852 . 0 0 "[ . 1 . 2]" 1
914 1 60 ILE MD 1 60 ILE MG . . 3.100 2.108 1.954 3.054 . 0 0 "[ . 1 . 2]" 1
915 1 60 ILE QG 1 61 LEU H . . 5.010 4.486 4.339 4.919 . 0 0 "[ . 1 . 2]" 1
916 1 60 ILE MG 1 61 LEU H . . 3.670 2.877 2.552 3.210 . 0 0 "[ . 1 . 2]" 1
917 1 60 ILE MG 1 61 LEU HA . . 5.030 4.049 3.879 4.317 . 0 0 "[ . 1 . 2]" 1
918 1 60 ILE MG 1 62 HIS H . . 4.780 4.259 3.951 4.638 . 0 0 "[ . 1 . 2]" 1
919 1 60 ILE MG 1 62 HIS HE1 . . 3.720 2.786 1.943 3.373 . 0 0 "[ . 1 . 2]" 1
920 1 61 LEU H 1 61 LEU HB2 . . 3.710 2.751 2.331 3.219 . 0 0 "[ . 1 . 2]" 1
921 1 61 LEU H 1 61 LEU QB . . 3.230 2.359 2.275 2.452 . 0 0 "[ . 1 . 2]" 1
922 1 61 LEU H 1 61 LEU HB3 . . 3.710 2.836 2.348 3.375 . 0 0 "[ . 1 . 2]" 1
923 1 61 LEU H 1 61 LEU MD1 . . 5.150 4.202 3.791 4.454 . 0 0 "[ . 1 . 2]" 1
924 1 61 LEU H 1 61 LEU QD . . 4.420 3.757 3.336 3.886 . 0 0 "[ . 1 . 2]" 1
925 1 61 LEU H 1 61 LEU MD2 . . 5.150 4.286 3.479 4.558 . 0 0 "[ . 1 . 2]" 1
926 1 61 LEU H 1 62 HIS H . . 4.450 4.275 4.179 4.394 . 0 0 "[ . 1 . 2]" 1
927 1 61 LEU HA 1 61 LEU QD . . 3.560 2.208 1.852 3.043 . 0 0 "[ . 1 . 2]" 1
928 1 61 LEU HA 1 62 HIS H . . 2.870 2.145 2.139 2.153 . 0 0 "[ . 1 . 2]" 1
929 1 61 LEU QB 1 62 HIS H . . 4.110 3.737 3.476 3.894 . 0 0 "[ . 1 . 2]" 1
930 1 61 LEU HB2 1 62 HIS H . . 4.730 4.404 4.097 4.590 . 0 0 "[ . 1 . 2]" 1
931 1 61 LEU HB3 1 62 HIS H . . 4.730 4.096 3.618 4.499 . 0 0 "[ . 1 . 2]" 1
932 1 61 LEU QD 1 62 HIS H . . 4.170 2.554 2.135 3.727 . 0 0 "[ . 1 . 2]" 1
933 1 62 HIS H 1 62 HIS HB2 . . 3.890 2.497 2.383 2.635 . 0 0 "[ . 1 . 2]" 1
934 1 62 HIS H 1 62 HIS QB . . 3.350 2.455 2.352 2.577 . 0 0 "[ . 1 . 2]" 1
935 1 62 HIS H 1 62 HIS HB3 . . 3.890 3.632 3.590 3.665 . 0 0 "[ . 1 . 2]" 1
936 1 62 HIS H 1 62 HIS HE1 . . 4.730 4.556 4.208 4.739 0.009 14 0 "[ . 1 . 2]" 1
937 1 62 HIS H 1 63 ASN H . . 4.700 4.007 2.614 4.616 . 0 0 "[ . 1 . 2]" 1
938 1 62 HIS HA 1 63 ASN H . . 3.140 2.524 2.165 3.164 0.024 20 0 "[ . 1 . 2]" 1
939 1 62 HIS HA 1 63 ASN QD . . 4.280 4.158 4.016 4.368 0.088 18 0 "[ . 1 . 2]" 1
940 1 62 HIS HA 1 64 CYS H . . 5.070 4.717 4.139 5.130 0.060 18 0 "[ . 1 . 2]" 1
941 1 62 HIS QB 1 63 ASN H . . 3.470 2.999 2.369 3.697 0.227 14 0 "[ . 1 . 2]" 1
942 1 62 HIS QB 1 63 ASN QD . . 4.020 2.479 2.268 2.942 . 0 0 "[ . 1 . 2]" 1
943 1 63 ASN H 1 63 ASN QB . . 3.670 3.254 2.656 3.446 . 0 0 "[ . 1 . 2]" 1
944 1 63 ASN H 1 64 CYS H . . 3.840 3.264 2.884 3.851 0.011 20 0 "[ . 1 . 2]" 1
945 1 63 ASN HA 1 64 CYS H . . 3.070 2.337 2.206 2.523 . 0 0 "[ . 1 . 2]" 1
946 1 63 ASN QB 1 64 CYS H . . 4.340 3.809 3.660 3.920 . 0 0 "[ . 1 . 2]" 1
947 1 63 ASN QB 1 64 CYS HA . . 5.340 4.361 4.255 4.605 . 0 0 "[ . 1 . 2]" 1
948 1 64 CYS H 1 64 CYS HB2 . . 3.890 2.580 2.113 3.687 . 0 0 "[ . 1 . 2]" 1
949 1 64 CYS H 1 64 CYS QB . . 3.170 2.456 2.094 3.014 . 0 0 "[ . 1 . 2]" 1
950 1 64 CYS H 1 64 CYS HB3 . . 3.890 3.443 2.862 3.737 . 0 0 "[ . 1 . 2]" 1
951 1 64 CYS H 1 65 GLN H . . 4.420 3.032 2.416 3.803 . 0 0 "[ . 1 . 2]" 1
952 1 64 CYS H 1 65 GLN QB . . 5.230 4.729 4.206 5.193 . 0 0 "[ . 1 . 2]" 1
953 1 64 CYS HA 1 65 GLN H . . 3.080 2.827 2.316 3.559 0.479 12 0 "[ . 1 . 2]" 1
954 1 64 CYS HA 1 65 GLN QG . . 5.070 4.524 3.944 4.878 . 0 0 "[ . 1 . 2]" 1
955 1 64 CYS HA 1 87 VAL QG . . 5.440 4.821 4.291 5.460 0.020 12 0 "[ . 1 . 2]" 1
956 1 64 CYS QB 1 87 VAL QG . . 3.380 3.172 2.842 3.390 0.010 1 0 "[ . 1 . 2]" 1
957 1 64 CYS HB2 1 87 VAL MG1 . . 4.750 4.263 3.210 4.779 0.029 11 0 "[ . 1 . 2]" 1
958 1 64 CYS HB2 1 87 VAL MG2 . . 4.750 4.461 3.282 4.781 0.031 6 0 "[ . 1 . 2]" 1
959 1 64 CYS HB3 1 87 VAL MG1 . . 4.750 4.133 3.243 4.803 0.053 8 0 "[ . 1 . 2]" 1
960 1 64 CYS HB3 1 87 VAL MG2 . . 4.750 3.825 3.258 4.764 0.014 16 0 "[ . 1 . 2]" 1
961 1 65 GLN H 1 65 GLN HB2 . . 3.780 3.044 2.306 3.710 . 0 0 "[ . 1 . 2]" 1
962 1 65 GLN H 1 65 GLN HB3 . . 3.780 3.233 2.387 3.913 0.133 12 0 "[ . 1 . 2]" 1
963 1 65 GLN H 1 65 GLN QG . . 3.810 2.326 1.916 3.343 . 0 0 "[ . 1 . 2]" 1
964 1 65 GLN H 1 87 VAL QG . . 5.440 4.905 3.690 5.309 . 0 0 "[ . 1 . 2]" 1
965 1 65 GLN HA 1 66 LEU H . . 3.400 2.388 2.140 2.742 . 0 0 "[ . 1 . 2]" 1
966 1 65 GLN HA 1 87 VAL QG . . 4.690 3.495 2.637 3.955 . 0 0 "[ . 1 . 2]" 1
967 1 65 GLN QB 1 65 GLN QE . . 3.740 2.584 1.915 3.543 . 0 0 "[ . 1 . 2]" 1
968 1 65 GLN QB 1 66 LEU H . . 4.430 3.482 1.923 4.037 . 0 0 "[ . 1 . 2]" 1
969 1 65 GLN QG 1 66 LEU H . . 4.660 4.124 2.556 4.687 0.027 9 0 "[ . 1 . 2]" 1
970 1 66 LEU H 1 87 VAL QG . . 5.440 3.302 2.423 5.350 . 0 0 "[ . 1 . 2]" 1
971 1 67 GLY QA 1 68 MET QB . . 4.840 4.074 3.874 4.639 . 0 0 "[ . 1 . 2]" 1
972 1 67 GLY QA 1 69 THR H . . 4.480 3.394 2.931 4.506 0.026 5 0 "[ . 1 . 2]" 1
973 1 68 MET H 1 68 MET QB . . 3.310 2.471 2.160 2.949 . 0 0 "[ . 1 . 2]" 1
974 1 68 MET H 1 68 MET ME . . 3.890 3.219 1.963 3.894 0.004 20 0 "[ . 1 . 2]" 1
975 1 68 MET H 1 69 THR H . . 3.290 2.517 1.896 3.330 0.040 5 0 "[ . 1 . 2]" 1
976 1 68 MET HA 1 68 MET ME . . 4.220 3.809 2.410 4.247 0.027 4 0 "[ . 1 . 2]" 1
977 1 68 MET QB 1 69 THR HA . . 5.340 4.646 3.889 5.249 . 0 0 "[ . 1 . 2]" 1
978 1 68 MET QB 1 87 VAL QG . . 5.270 4.382 2.946 5.197 . 0 0 "[ . 1 . 2]" 1
979 1 68 MET HB2 1 69 THR H . . 4.310 3.677 2.821 4.428 0.118 4 0 "[ . 1 . 2]" 1
980 1 68 MET HB3 1 69 THR H . . 4.310 3.799 2.857 4.304 . 0 0 "[ . 1 . 2]" 1
981 1 69 THR H 1 69 THR MG . . 4.020 3.666 3.412 3.995 . 0 0 "[ . 1 . 2]" 1
982 1 69 THR H 1 70 GLY H . . 4.520 4.239 3.852 4.440 . 0 0 "[ . 1 . 2]" 1
983 1 69 THR H 1 85 LEU QD . . 5.290 5.011 3.913 5.308 0.018 7 0 "[ . 1 . 2]" 1
984 1 69 THR H 1 87 VAL HB . . 4.760 4.519 3.539 4.788 0.028 15 0 "[ . 1 . 2]" 1
985 1 69 THR H 1 87 VAL QG . . 3.990 3.335 2.462 3.962 . 0 0 "[ . 1 . 2]" 1
986 1 69 THR HA 1 69 THR HB . . 3.000 2.718 2.558 3.017 0.017 4 0 "[ . 1 . 2]" 1
987 1 69 THR HA 1 69 THR MG . . 3.140 2.066 1.957 2.352 . 0 0 "[ . 1 . 2]" 1
988 1 69 THR HA 1 70 GLY H . . 3.190 2.268 2.146 2.494 . 0 0 "[ . 1 . 2]" 1
989 1 69 THR HA 1 70 GLY QA . . 4.460 3.906 3.893 3.931 . 0 0 "[ . 1 . 2]" 1
990 1 69 THR HA 1 85 LEU QD . . 4.190 3.144 2.146 3.580 . 0 0 "[ . 1 . 2]" 1
991 1 69 THR HA 1 86 LYS HA . . 4.020 3.300 2.624 4.035 0.015 3 0 "[ . 1 . 2]" 1
992 1 69 THR HA 1 87 VAL H . . 3.960 2.878 2.356 3.827 . 0 0 "[ . 1 . 2]" 1
993 1 69 THR HA 1 87 VAL QG . . 3.950 2.326 1.974 2.986 . 0 0 "[ . 1 . 2]" 1
994 1 69 THR MG 1 70 GLY H . . 3.500 3.252 2.550 3.497 . 0 0 "[ . 1 . 2]" 1
995 1 69 THR MG 1 85 LEU QD . . 4.150 3.772 2.722 4.164 0.014 20 0 "[ . 1 . 2]" 1
996 1 69 THR MG 1 86 LYS HA . . 3.230 2.135 1.887 2.554 . 0 0 "[ . 1 . 2]" 1
997 1 69 THR MG 1 86 LYS QB . . 5.090 3.540 3.031 3.992 . 0 0 "[ . 1 . 2]" 1
998 1 69 THR MG 1 86 LYS QG . . 3.530 3.265 2.663 3.567 0.037 13 0 "[ . 1 . 2]" 1
999 1 69 THR MG 1 87 VAL H . . 3.610 2.718 1.851 3.448 . 0 0 "[ . 1 . 2]" 1
1000 1 69 THR MG 1 87 VAL HB . . 5.500 4.395 2.460 5.275 . 0 0 "[ . 1 . 2]" 1
1001 1 69 THR MG 1 87 VAL QG . . 4.430 3.380 2.114 3.841 . 0 0 "[ . 1 . 2]" 1
1002 1 70 GLY H 1 71 GLU H . . 4.430 4.433 4.124 4.494 0.064 9 0 "[ . 1 . 2]" 1
1003 1 70 GLY H 1 85 LEU HB2 . . 3.910 3.836 3.602 3.953 0.043 20 0 "[ . 1 . 2]" 1
1004 1 70 GLY H 1 85 LEU HB3 . . 3.910 2.186 1.994 2.406 . 0 0 "[ . 1 . 2]" 1
1005 1 70 GLY H 1 85 LEU MD1 . . 5.260 3.345 2.565 4.671 . 0 0 "[ . 1 . 2]" 1
1006 1 70 GLY H 1 85 LEU QD . . 4.110 2.703 2.004 3.358 . 0 0 "[ . 1 . 2]" 1
1007 1 70 GLY H 1 85 LEU MD2 . . 5.260 3.990 2.009 5.145 . 0 0 "[ . 1 . 2]" 1
1008 1 70 GLY H 1 85 LEU HG . . 4.850 4.436 3.822 4.861 0.011 14 0 "[ . 1 . 2]" 1
1009 1 70 GLY H 1 87 VAL H . . 5.190 4.503 4.054 5.208 0.018 3 0 "[ . 1 . 2]" 1
1010 1 70 GLY H 1 87 VAL QG . . 5.400 3.368 2.986 4.140 . 0 0 "[ . 1 . 2]" 1
1011 1 70 GLY QA 1 71 GLU QB . . 5.180 3.795 3.745 3.848 . 0 0 "[ . 1 . 2]" 1
1012 1 70 GLY HA2 1 71 GLU H . . 3.120 2.385 2.213 3.158 0.038 3 0 "[ . 1 . 2]" 1
1013 1 70 GLY HA3 1 71 GLU H . . 3.120 2.787 2.151 3.009 . 0 0 "[ . 1 . 2]" 1
1014 1 71 GLU H 1 71 GLU HB2 . . 3.350 2.800 2.510 3.078 . 0 0 "[ . 1 . 2]" 1
1015 1 71 GLU H 1 71 GLU QB . . 2.910 2.411 2.296 2.446 . 0 0 "[ . 1 . 2]" 1
1016 1 71 GLU H 1 71 GLU HB3 . . 3.350 2.651 2.461 2.867 . 0 0 "[ . 1 . 2]" 1
1017 1 71 GLU H 1 71 GLU QG . . 4.450 4.047 3.959 4.080 . 0 0 "[ . 1 . 2]" 1
1018 1 71 GLU H 1 72 VAL H . . 4.490 4.335 4.239 4.477 . 0 0 "[ . 1 . 2]" 1
1019 1 71 GLU HA 1 71 GLU HG2 . . 3.980 3.064 2.592 3.349 . 0 0 "[ . 1 . 2]" 1
1020 1 71 GLU HA 1 71 GLU QG . . 3.460 2.366 2.197 2.563 . 0 0 "[ . 1 . 2]" 1
1021 1 71 GLU HA 1 71 GLU HG3 . . 3.980 2.480 2.243 2.716 . 0 0 "[ . 1 . 2]" 1
1022 1 71 GLU HA 1 72 VAL H . . 2.910 2.148 2.139 2.189 . 0 0 "[ . 1 . 2]" 1
1023 1 71 GLU HA 1 82 ALA MB . . 5.500 5.321 5.059 5.533 0.033 19 0 "[ . 1 . 2]" 1
1024 1 71 GLU HA 1 84 ASN HA . . 3.580 3.010 2.458 3.495 . 0 0 "[ . 1 . 2]" 1
1025 1 71 GLU HA 1 84 ASN QB . . 5.330 4.998 4.482 5.349 0.019 8 0 "[ . 1 . 2]" 1
1026 1 71 GLU HA 1 85 LEU H . . 3.940 3.386 3.021 3.744 . 0 0 "[ . 1 . 2]" 1
1027 1 71 GLU QG 1 72 VAL H . . 3.900 2.979 2.537 3.174 . 0 0 "[ . 1 . 2]" 1
1028 1 71 GLU QG 1 82 ALA MB . . 3.680 3.150 2.612 3.560 . 0 0 "[ . 1 . 2]" 1
1029 1 71 GLU QG 1 83 ALA H . . 4.000 3.712 2.889 4.014 0.014 1 0 "[ . 1 . 2]" 1
1030 1 71 GLU HG2 1 82 ALA MB . . 4.420 3.453 2.866 3.941 . 0 0 "[ . 1 . 2]" 1
1031 1 71 GLU HG2 1 83 ALA H . . 4.640 4.211 3.132 4.636 . 0 0 "[ . 1 . 2]" 1
1032 1 71 GLU HG3 1 82 ALA MB . . 4.420 3.667 2.882 4.087 . 0 0 "[ . 1 . 2]" 1
1033 1 71 GLU HG3 1 83 ALA H . . 4.640 4.198 3.064 4.635 . 0 0 "[ . 1 . 2]" 1
1034 1 72 VAL H 1 72 VAL HB . . 3.440 2.744 2.450 2.935 . 0 0 "[ . 1 . 2]" 1
1035 1 72 VAL H 1 72 VAL MG1 . . 4.400 2.424 1.916 3.792 . 0 0 "[ . 1 . 2]" 1
1036 1 72 VAL H 1 72 VAL QG . . 3.620 2.139 1.911 2.679 . 0 0 "[ . 1 . 2]" 1
1037 1 72 VAL H 1 72 VAL MG2 . . 4.400 3.538 2.658 3.832 . 0 0 "[ . 1 . 2]" 1
1038 1 72 VAL H 1 73 SER HA . . 5.500 5.126 5.092 5.154 . 0 0 "[ . 1 . 2]" 1
1039 1 72 VAL H 1 82 ALA HA . . 5.500 4.974 4.567 5.455 . 0 0 "[ . 1 . 2]" 1
1040 1 72 VAL H 1 83 ALA H . . 3.710 3.399 3.066 3.700 . 0 0 "[ . 1 . 2]" 1
1041 1 72 VAL H 1 83 ALA MB . . 5.240 4.066 3.666 4.306 . 0 0 "[ . 1 . 2]" 1
1042 1 72 VAL H 1 84 ASN HA . . 3.980 3.739 3.331 4.000 0.020 20 0 "[ . 1 . 2]" 1
1043 1 72 VAL H 1 85 LEU H . . 4.340 4.210 3.770 4.364 0.024 20 0 "[ . 1 . 2]" 1
1044 1 72 VAL HA 1 73 SER H . . 2.860 2.159 2.140 2.187 . 0 0 "[ . 1 . 2]" 1
1045 1 72 VAL HB 1 73 SER H . . 4.550 4.212 4.042 4.340 . 0 0 "[ . 1 . 2]" 1
1046 1 72 VAL HB 1 83 ALA MB . . 4.740 4.221 2.835 4.765 0.025 7 0 "[ . 1 . 2]" 1
1047 1 72 VAL QG 1 73 SER H . . 3.390 2.452 2.118 2.755 . 0 0 "[ . 1 . 2]" 1
1048 1 72 VAL QG 1 73 SER HA . . 4.650 3.549 3.414 3.752 . 0 0 "[ . 1 . 2]" 1
1049 1 72 VAL QG 1 74 PHE HB2 . . 4.980 3.335 3.154 3.449 . 0 0 "[ . 1 . 2]" 1
1050 1 72 VAL QG 1 83 ALA H . . 4.770 2.683 1.928 3.901 . 0 0 "[ . 1 . 2]" 1
1051 1 72 VAL QG 1 85 LEU H . . 4.820 4.421 4.042 4.699 . 0 0 "[ . 1 . 2]" 1
1052 1 72 VAL MG1 1 73 SER H . . 4.120 3.628 2.645 4.116 . 0 0 "[ . 1 . 2]" 1
1053 1 72 VAL MG2 1 73 SER H . . 4.120 2.808 2.129 4.039 . 0 0 "[ . 1 . 2]" 1
1054 1 73 SER H 1 74 PHE H . . 4.690 4.393 4.345 4.444 . 0 0 "[ . 1 . 2]" 1
1055 1 73 SER H 1 82 ALA MB . . 5.500 5.365 5.080 5.523 0.023 11 0 "[ . 1 . 2]" 1
1056 1 73 SER HA 1 74 PHE H . . 2.800 2.148 2.145 2.179 . 0 0 "[ . 1 . 2]" 1
1057 1 73 SER HA 1 74 PHE HA . . 4.490 4.401 4.397 4.415 . 0 0 "[ . 1 . 2]" 1
1058 1 73 SER HA 1 74 PHE HB2 . . 5.000 4.702 4.578 4.760 . 0 0 "[ . 1 . 2]" 1
1059 1 73 SER QB 1 74 PHE H . . 3.520 3.326 3.048 3.419 . 0 0 "[ . 1 . 2]" 1
1060 1 73 SER QB 1 82 ALA HA . . 4.690 4.505 3.900 4.707 0.017 10 0 "[ . 1 . 2]" 1
1061 1 73 SER HB2 1 82 ALA HA . . 5.330 5.091 4.309 5.348 0.018 7 0 "[ . 1 . 2]" 1
1062 1 73 SER HB2 1 82 ALA MB . . 4.740 4.640 3.972 4.764 0.024 2 0 "[ . 1 . 2]" 1
1063 1 73 SER HB3 1 82 ALA HA . . 5.330 5.056 4.107 5.249 . 0 0 "[ . 1 . 2]" 1
1064 1 73 SER HB3 1 82 ALA MB . . 4.740 4.594 3.677 4.770 0.030 13 0 "[ . 1 . 2]" 1
1065 1 74 PHE H 1 74 PHE HB2 . . 3.740 3.353 3.276 3.454 . 0 0 "[ . 1 . 2]" 1
1066 1 74 PHE H 1 75 GLN H . . 4.750 4.276 4.151 4.397 . 0 0 "[ . 1 . 2]" 1
1067 1 74 PHE H 1 82 ALA MB . . 4.520 4.287 4.047 4.525 0.005 4 0 "[ . 1 . 2]" 1
1068 1 74 PHE H 1 83 ALA H . . 4.910 4.936 4.889 4.959 0.049 5 0 "[ . 1 . 2]" 1
1069 1 74 PHE HA 1 74 PHE QD . . 4.020 2.684 2.489 2.884 . 0 0 "[ . 1 . 2]" 1
1070 1 74 PHE HA 1 75 GLN H . . 2.730 2.164 2.140 2.228 . 0 0 "[ . 1 . 2]" 1
1071 1 74 PHE HB3 1 75 GLN H . . 5.120 4.261 4.077 4.374 . 0 0 "[ . 1 . 2]" 1
1072 1 74 PHE HB3 1 81 SER HB2 . . 4.740 2.988 2.195 4.444 . 0 0 "[ . 1 . 2]" 1
1073 1 74 PHE HB3 1 81 SER QB . . 4.110 2.614 2.177 3.591 . 0 0 "[ . 1 . 2]" 1
1074 1 74 PHE HB3 1 81 SER HB3 . . 4.740 3.690 2.403 4.742 0.002 14 0 "[ . 1 . 2]" 1
1075 1 74 PHE HB3 1 82 ALA HA . . 4.920 4.873 4.493 4.961 0.041 9 0 "[ . 1 . 2]" 1
1076 1 74 PHE QD 1 75 GLN H . . 4.260 3.187 2.675 3.529 . 0 0 "[ . 1 . 2]" 1
1077 1 74 PHE QE 1 76 ALA HA . . 4.320 3.894 3.568 4.369 0.049 19 0 "[ . 1 . 2]" 1
1078 1 74 PHE QE 1 76 ALA MB . . 2.840 2.150 1.880 2.721 . 0 0 "[ . 1 . 2]" 1
1079 1 74 PHE HZ 1 76 ALA HA . . 4.550 3.765 3.437 4.414 . 0 0 "[ . 1 . 2]" 1
1080 1 74 PHE HZ 1 76 ALA MB . . 3.230 2.630 2.107 3.077 . 0 0 "[ . 1 . 2]" 1
1081 1 75 GLN H 1 75 GLN QB . . 3.370 2.514 2.327 3.097 . 0 0 "[ . 1 . 2]" 1
1082 1 75 GLN H 1 75 GLN QG . . 4.330 3.386 2.331 4.162 . 0 0 "[ . 1 . 2]" 1
1083 1 75 GLN H 1 76 ALA MB . . 5.170 4.894 4.729 5.014 . 0 0 "[ . 1 . 2]" 1
1084 1 75 GLN HA 1 76 ALA H . . 2.740 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 1
1085 1 75 GLN HA 1 80 LYS HA . . 3.700 3.538 2.677 3.710 0.010 16 0 "[ . 1 . 2]" 1
1086 1 75 GLN QB 1 76 ALA H . . 3.730 3.482 3.294 3.805 0.075 2 0 "[ . 1 . 2]" 1
1087 1 75 GLN QB 1 78 ASN HA . . 4.930 4.456 3.901 4.941 0.011 2 0 "[ . 1 . 2]" 1
1088 1 75 GLN QB 1 80 LYS HA . . 4.820 4.365 2.667 4.846 0.026 20 0 "[ . 1 . 2]" 1
1089 1 75 GLN QB 1 80 LYS QG . . 5.500 5.175 3.236 5.680 0.180 7 0 "[ . 1 . 2]" 1
1090 1 75 GLN QG 1 76 ALA H . . 4.440 3.717 2.731 4.432 . 0 0 "[ . 1 . 2]" 1
1091 1 75 GLN QG 1 78 ASN HA . . 5.200 4.320 2.980 5.253 0.053 7 0 "[ . 1 . 2]" 1
1092 1 75 GLN QG 1 80 LYS HA . . 4.940 3.303 1.959 4.774 . 0 0 "[ . 1 . 2]" 1
1093 1 75 GLN QG 1 80 LYS QG . . 4.650 4.008 3.488 4.705 0.055 19 0 "[ . 1 . 2]" 1
1094 1 76 ALA H 1 76 ALA MB . . 3.590 2.359 2.325 2.467 . 0 0 "[ . 1 . 2]" 1
1095 1 76 ALA H 1 79 THR H . . 4.170 3.051 2.915 3.369 . 0 0 "[ . 1 . 2]" 1
1096 1 76 ALA H 1 79 THR HB . . 4.440 2.422 2.058 3.664 . 0 0 "[ . 1 . 2]" 1
1097 1 76 ALA H 1 79 THR MG . . 4.680 3.589 3.201 4.199 . 0 0 "[ . 1 . 2]" 1
1098 1 76 ALA MB 1 77 ALA MB . . 4.060 3.385 3.144 3.467 . 0 0 "[ . 1 . 2]" 1
1099 1 76 ALA MB 1 79 THR H . . 4.430 4.277 3.947 4.383 . 0 0 "[ . 1 . 2]" 1
1100 1 77 ALA MB 1 78 ASN H . . 3.880 3.598 1.855 3.708 . 0 0 "[ . 1 . 2]" 1
1101 1 77 ALA MB 1 79 THR H . . 4.300 4.021 3.177 4.317 0.017 4 0 "[ . 1 . 2]" 1
1102 1 77 ALA MB 1 79 THR MG . . 4.810 4.766 4.330 5.084 0.274 15 0 "[ . 1 . 2]" 1
1103 1 78 ASN H 1 78 ASN HA . . 2.820 2.311 2.275 2.910 0.090 15 0 "[ . 1 . 2]" 1
1104 1 79 THR H 1 79 THR HB . . 3.730 2.650 2.423 2.737 . 0 0 "[ . 1 . 2]" 1
1105 1 79 THR H 1 79 THR MG . . 4.080 3.846 3.659 3.899 . 0 0 "[ . 1 . 2]" 1
1106 1 79 THR HA 1 79 THR MG . . 3.380 2.348 2.145 2.578 . 0 0 "[ . 1 . 2]" 1
1107 1 79 THR HA 1 80 LYS H . . 3.110 2.221 2.214 2.228 . 0 0 "[ . 1 . 2]" 1
1108 1 79 THR HB 1 80 LYS H . . 4.020 3.947 3.782 4.155 0.135 15 0 "[ . 1 . 2]" 1
1109 1 79 THR MG 1 80 LYS H . . 4.140 2.242 1.985 2.336 . 0 0 "[ . 1 . 2]" 1
1110 1 79 THR MG 1 80 LYS QB . . 4.250 3.786 3.659 4.296 0.046 7 0 "[ . 1 . 2]" 1
1111 1 79 THR MG 1 80 LYS QD . . 4.590 4.317 3.921 4.729 0.139 15 0 "[ . 1 . 2]" 1
1112 1 80 LYS H 1 80 LYS HB2 . . 3.950 2.403 2.224 3.655 . 0 0 "[ . 1 . 2]" 1
1113 1 80 LYS H 1 80 LYS HB3 . . 3.950 3.376 2.457 3.591 . 0 0 "[ . 1 . 2]" 1
1114 1 80 LYS HA 1 80 LYS QD . . 4.630 3.071 2.035 4.168 . 0 0 "[ . 1 . 2]" 1
1115 1 80 LYS HA 1 80 LYS QG . . 3.650 2.333 2.092 3.344 . 0 0 "[ . 1 . 2]" 1
1116 1 80 LYS QB 1 81 SER H . . 3.610 3.473 3.336 3.785 0.175 6 0 "[ . 1 . 2]" 1
1117 1 80 LYS QG 1 81 SER H . . 4.030 3.844 3.186 4.221 0.191 7 0 "[ . 1 . 2]" 1
1118 1 81 SER H 1 81 SER HB2 . . 3.960 3.026 2.624 3.820 . 0 0 "[ . 1 . 2]" 1
1119 1 81 SER H 1 81 SER QB . . 3.440 2.843 2.541 3.025 . 0 0 "[ . 1 . 2]" 1
1120 1 81 SER H 1 81 SER HB3 . . 3.960 3.639 2.705 3.871 . 0 0 "[ . 1 . 2]" 1
1121 1 81 SER H 1 82 ALA HA . . 5.140 4.860 4.764 4.895 . 0 0 "[ . 1 . 2]" 1
1122 1 81 SER HA 1 82 ALA H . . 2.650 2.144 2.138 2.180 . 0 0 "[ . 1 . 2]" 1
1123 1 81 SER HA 1 82 ALA MB . . 4.730 3.934 3.857 3.988 . 0 0 "[ . 1 . 2]" 1
1124 1 82 ALA H 1 82 ALA MB . . 3.610 2.490 2.357 2.619 . 0 0 "[ . 1 . 2]" 1
1125 1 82 ALA H 1 83 ALA HA . . 5.170 4.875 4.773 4.987 . 0 0 "[ . 1 . 2]" 1
1126 1 82 ALA HA 1 83 ALA H . . 2.750 2.187 2.142 2.300 . 0 0 "[ . 1 . 2]" 1
1127 1 82 ALA MB 1 83 ALA HA . . 4.180 3.951 3.831 4.055 . 0 0 "[ . 1 . 2]" 1
1128 1 83 ALA H 1 83 ALA MB . . 3.370 2.533 2.387 2.698 . 0 0 "[ . 1 . 2]" 1
1129 1 83 ALA H 1 84 ASN H . . 4.490 4.442 4.388 4.492 0.002 4 0 "[ . 1 . 2]" 1
1130 1 83 ALA HA 1 84 ASN H . . 2.750 2.358 2.280 2.369 . 0 0 "[ . 1 . 2]" 1
1131 1 83 ALA MB 1 84 ASN H . . 3.120 2.491 2.442 2.672 . 0 0 "[ . 1 . 2]" 1
1132 1 84 ASN H 1 84 ASN HB2 . . 3.440 2.531 2.168 3.609 0.169 9 0 "[ . 1 . 2]" 1
1133 1 84 ASN H 1 84 ASN QB . . 2.990 2.265 2.144 2.370 . 0 0 "[ . 1 . 2]" 1
1134 1 84 ASN H 1 84 ASN HB3 . . 3.440 2.882 2.371 3.453 0.013 8 0 "[ . 1 . 2]" 1
1135 1 84 ASN HA 1 85 LEU H . . 2.910 2.219 2.145 2.256 . 0 0 "[ . 1 . 2]" 1
1136 1 84 ASN QB 1 85 LEU H . . 4.310 3.350 2.895 3.787 . 0 0 "[ . 1 . 2]" 1
1137 1 84 ASN HB2 1 85 LEU H . . 5.050 4.134 2.952 4.306 . 0 0 "[ . 1 . 2]" 1
1138 1 84 ASN HB3 1 85 LEU H . . 5.050 3.640 3.039 4.251 . 0 0 "[ . 1 . 2]" 1
1139 1 85 LEU H 1 85 LEU HB2 . . 3.780 2.855 2.649 3.203 . 0 0 "[ . 1 . 2]" 1
1140 1 85 LEU H 1 85 LEU QB . . 3.270 2.432 2.349 2.500 . 0 0 "[ . 1 . 2]" 1
1141 1 85 LEU H 1 85 LEU HB3 . . 3.780 2.659 2.422 2.835 . 0 0 "[ . 1 . 2]" 1
1142 1 85 LEU H 1 85 LEU MD1 . . 5.220 4.244 4.043 4.588 . 0 0 "[ . 1 . 2]" 1
1143 1 85 LEU H 1 85 LEU QD . . 4.190 3.697 3.607 3.849 . 0 0 "[ . 1 . 2]" 1
1144 1 85 LEU H 1 85 LEU MD2 . . 5.220 4.096 3.773 4.221 . 0 0 "[ . 1 . 2]" 1
1145 1 85 LEU H 1 85 LEU HG . . 4.960 4.733 4.415 4.900 . 0 0 "[ . 1 . 2]" 1
1146 1 85 LEU H 1 86 LYS QB . . 5.340 5.284 5.004 5.381 0.041 12 0 "[ . 1 . 2]" 1
1147 1 85 LEU HA 1 85 LEU MD1 . . 4.540 3.170 2.731 3.721 . 0 0 "[ . 1 . 2]" 1
1148 1 85 LEU HA 1 85 LEU QD . . 3.330 2.325 1.903 3.175 . 0 0 "[ . 1 . 2]" 1
1149 1 85 LEU HA 1 85 LEU MD2 . . 4.540 2.497 1.927 3.944 . 0 0 "[ . 1 . 2]" 1
1150 1 85 LEU HA 1 86 LYS H . . 2.920 2.155 2.138 2.171 . 0 0 "[ . 1 . 2]" 1
1151 1 85 LEU QD 1 86 LYS H . . 3.410 2.449 2.036 3.331 . 0 0 "[ . 1 . 2]" 1
1152 1 85 LEU QD 1 86 LYS HA . . 4.910 3.358 3.138 4.334 . 0 0 "[ . 1 . 2]" 1
1153 1 85 LEU MD1 1 86 LYS H . . 4.760 3.130 2.285 4.491 . 0 0 "[ . 1 . 2]" 1
1154 1 85 LEU MD2 1 86 LYS H . . 4.760 2.675 2.188 4.211 . 0 0 "[ . 1 . 2]" 1
1155 1 85 LEU HG 1 86 LYS H . . 4.910 3.999 2.495 4.937 0.027 5 0 "[ . 1 . 2]" 1
1156 1 86 LYS H 1 86 LYS HB2 . . 3.810 2.875 2.690 3.094 . 0 0 "[ . 1 . 2]" 1
1157 1 86 LYS H 1 86 LYS QB . . 3.240 2.389 2.325 2.435 . 0 0 "[ . 1 . 2]" 1
1158 1 86 LYS H 1 86 LYS HB3 . . 3.810 2.566 2.450 2.706 . 0 0 "[ . 1 . 2]" 1
1159 1 86 LYS H 1 87 VAL H . . 5.500 4.269 4.153 4.426 . 0 0 "[ . 1 . 2]" 1
1160 1 86 LYS HA 1 86 LYS QD . . 4.480 3.829 2.075 4.125 . 0 0 "[ . 1 . 2]" 1
1161 1 86 LYS HA 1 86 LYS QE . . 5.090 4.670 3.574 5.024 . 0 0 "[ . 1 . 2]" 1
1162 1 86 LYS HA 1 87 VAL H . . 2.830 2.152 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
1163 1 86 LYS HA 1 87 VAL QG . . 4.870 3.545 3.382 3.730 . 0 0 "[ . 1 . 2]" 1
1164 1 86 LYS QB 1 86 LYS QE . . 3.780 2.909 1.950 3.687 . 0 0 "[ . 1 . 2]" 1
1165 1 86 LYS HB2 1 86 LYS QE . . 4.620 3.631 2.728 4.353 . 0 0 "[ . 1 . 2]" 1
1166 1 86 LYS HB3 1 86 LYS QE . . 4.620 3.108 1.977 4.258 . 0 0 "[ . 1 . 2]" 1
1167 1 86 LYS QE 1 88 LYS HB2 . . 4.970 4.573 3.316 4.982 0.012 14 0 "[ . 1 . 2]" 1
1168 1 86 LYS QE 1 88 LYS QG . . 4.670 3.234 2.110 4.353 . 0 0 "[ . 1 . 2]" 1
1169 1 86 LYS QG 1 87 VAL H . . 3.860 3.101 2.735 3.282 . 0 0 "[ . 1 . 2]" 1
1170 1 86 LYS QG 1 88 LYS HA . . 4.580 4.375 3.855 4.601 0.021 5 0 "[ . 1 . 2]" 1
1171 1 87 VAL H 1 87 VAL HB . . 3.440 2.621 2.498 2.798 . 0 0 "[ . 1 . 2]" 1
1172 1 87 VAL H 1 87 VAL QG . . 3.540 2.142 1.984 2.332 . 0 0 "[ . 1 . 2]" 1
1173 1 87 VAL H 1 88 LYS H . . 5.280 4.465 4.247 4.557 . 0 0 "[ . 1 . 2]" 1
1174 1 87 VAL HA 1 87 VAL MG1 . . 3.440 2.310 2.191 2.396 . 0 0 "[ . 1 . 2]" 1
1175 1 87 VAL HA 1 87 VAL QG . . 2.960 2.112 2.052 2.157 . 0 0 "[ . 1 . 2]" 1
1176 1 87 VAL HA 1 87 VAL MG2 . . 3.440 2.456 2.306 2.575 . 0 0 "[ . 1 . 2]" 1
1177 1 87 VAL HA 1 88 LYS H . . 3.090 2.152 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
1178 1 87 VAL QG 1 88 LYS H . . 3.700 2.524 2.157 2.981 . 0 0 "[ . 1 . 2]" 1
1179 1 88 LYS H 1 88 LYS QG . . 3.990 3.714 3.369 4.097 0.107 20 0 "[ . 1 . 2]" 1
1180 1 88 LYS HA 1 88 LYS QD . . 4.340 2.833 2.002 3.298 . 0 0 "[ . 1 . 2]" 1
1181 1 88 LYS HA 1 89 GLU QB . . 4.560 4.174 4.025 4.422 . 0 0 "[ . 1 . 2]" 1
1182 1 88 LYS HB2 1 89 GLU H . . 4.450 4.222 4.009 4.344 . 0 0 "[ . 1 . 2]" 1
1183 1 88 LYS HB3 1 89 GLU H . . 3.740 3.243 2.694 3.748 0.008 20 0 "[ . 1 . 2]" 1
1184 1 88 LYS QD 1 89 GLU QB . . 4.090 3.837 3.111 4.114 0.024 2 0 "[ . 1 . 2]" 1
1185 1 88 LYS QG 1 89 GLU H . . 4.090 3.360 2.196 3.914 . 0 0 "[ . 1 . 2]" 1
1186 1 89 GLU H 1 89 GLU HB2 . . 3.650 2.601 2.189 3.662 0.012 10 0 "[ . 1 . 2]" 1
1187 1 89 GLU H 1 89 GLU QB . . 2.990 2.336 2.143 3.002 0.012 10 0 "[ . 1 . 2]" 1
1188 1 89 GLU H 1 89 GLU HB3 . . 3.650 2.924 2.422 3.579 . 0 0 "[ . 1 . 2]" 1
1189 1 89 GLU H 1 89 GLU HG2 . . 5.020 3.999 2.052 4.695 . 0 0 "[ . 1 . 2]" 1
1190 1 89 GLU H 1 89 GLU QG . . 4.360 3.484 2.040 4.114 . 0 0 "[ . 1 . 2]" 1
1191 1 89 GLU H 1 89 GLU HG3 . . 5.020 4.045 2.452 4.577 . 0 0 "[ . 1 . 2]" 1
1192 1 89 GLU HA 1 90 LEU H . . 2.730 2.247 2.140 2.355 . 0 0 "[ . 1 . 2]" 1
1193 1 89 GLU QB 1 91 LEU H . . 5.090 4.196 2.271 5.074 . 0 0 "[ . 1 . 2]" 1
1194 1 89 GLU QG 1 90 LEU H . . 4.530 2.986 2.017 4.534 0.004 1 0 "[ . 1 . 2]" 1
1195 1 89 GLU HG2 1 90 LEU H . . 5.330 3.552 2.124 4.914 . 0 0 "[ . 1 . 2]" 1
1196 1 89 GLU HG3 1 90 LEU H . . 5.330 3.527 2.043 5.319 . 0 0 "[ . 1 . 2]" 1
1197 1 90 LEU H 1 90 LEU QB . . 2.800 2.222 2.080 2.497 . 0 0 "[ . 1 . 2]" 1
1198 1 90 LEU H 1 90 LEU QD . . 4.020 2.847 2.105 3.561 . 0 0 "[ . 1 . 2]" 1
1199 1 90 LEU H 1 91 LEU H . . 4.430 3.866 2.530 4.432 0.002 19 0 "[ . 1 . 2]" 1
1200 1 90 LEU HA 1 90 LEU MD1 . . 3.980 3.439 2.831 3.933 . 0 0 "[ . 1 . 2]" 1
1201 1 90 LEU HA 1 90 LEU MD2 . . 3.980 3.024 2.313 3.660 . 0 0 "[ . 1 . 2]" 1
1202 1 90 LEU HA 1 90 LEU HG . . 3.620 2.440 2.197 2.848 . 0 0 "[ . 1 . 2]" 1
1203 1 90 LEU HA 1 91 LEU H . . 3.200 2.414 2.141 3.207 0.007 20 0 "[ . 1 . 2]" 1
1204 1 90 LEU QD 1 91 LEU H . . 4.800 4.129 3.490 4.579 . 0 0 "[ . 1 . 2]" 1
1205 1 90 LEU MD1 1 91 LEU H . . 5.500 5.089 4.451 5.518 0.018 13 0 "[ . 1 . 2]" 1
1206 1 90 LEU MD2 1 91 LEU H . . 5.500 4.552 3.536 5.461 . 0 0 "[ . 1 . 2]" 1
1207 1 91 LEU H 1 91 LEU HB2 . . 4.170 3.005 2.198 3.855 . 0 0 "[ . 1 . 2]" 1
1208 1 91 LEU H 1 91 LEU QB . . 3.580 2.683 2.177 3.246 . 0 0 "[ . 1 . 2]" 1
1209 1 91 LEU H 1 91 LEU HB3 . . 4.170 3.342 2.761 4.035 . 0 0 "[ . 1 . 2]" 1
1210 1 91 LEU H 1 91 LEU QD . . 4.580 3.351 2.321 4.094 . 0 0 "[ . 1 . 2]" 1
1211 1 91 LEU HA 1 91 LEU QD . . 3.640 2.507 1.915 3.401 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 2:59:53 PM GMT (wattos1)