NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437168 |
2k2m   |
15710 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k2m
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 1009
_Distance_constraint_stats_list.Viol_count 1210
_Distance_constraint_stats_list.Viol_total 853.287
_Distance_constraint_stats_list.Viol_max 0.162
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0353
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LEU 0.191 0.162 7 0 "[ . 1 . 2]"
1 7 ALA 0.119 0.035 3 0 "[ . 1 . 2]"
1 8 LEU 1.047 0.074 11 0 "[ . 1 . 2]"
1 9 LYS 0.425 0.057 10 0 "[ . 1 . 2]"
1 10 TRP 1.855 0.091 5 0 "[ . 1 . 2]"
1 11 VAL 0.599 0.084 14 0 "[ . 1 . 2]"
1 12 LEU 1.540 0.119 1 0 "[ . 1 . 2]"
1 13 CYS 1.606 0.106 17 0 "[ . 1 . 2]"
1 14 ASN 1.004 0.063 16 0 "[ . 1 . 2]"
1 15 TYR 1.463 0.063 16 0 "[ . 1 . 2]"
1 16 ASP 0.529 0.090 5 0 "[ . 1 . 2]"
1 17 PHE 3.013 0.124 1 0 "[ . 1 . 2]"
1 18 GLN 0.904 0.124 1 0 "[ . 1 . 2]"
1 19 ALA 5.217 0.121 15 0 "[ . 1 . 2]"
1 20 ARG 2.600 0.147 15 0 "[ . 1 . 2]"
1 21 ASN 2.402 0.126 18 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.227 0.077 6 0 "[ . 1 . 2]"
1 24 GLU 4.019 0.147 15 0 "[ . 1 . 2]"
1 25 LEU 3.620 0.143 8 0 "[ . 1 . 2]"
1 26 SER 0.652 0.135 15 0 "[ . 1 . 2]"
1 27 VAL 1.341 0.120 3 0 "[ . 1 . 2]"
1 28 LYS 2.489 0.120 3 0 "[ . 1 . 2]"
1 29 GLN 2.761 0.116 15 0 "[ . 1 . 2]"
1 30 ARG 2.102 0.119 1 0 "[ . 1 . 2]"
1 31 ASP 1.118 0.106 17 0 "[ . 1 . 2]"
1 32 VAL 0.079 0.031 13 0 "[ . 1 . 2]"
1 33 LEU 0.275 0.055 7 0 "[ . 1 . 2]"
1 34 GLU 2.762 0.121 13 0 "[ . 1 . 2]"
1 35 VAL 0.247 0.046 7 0 "[ . 1 . 2]"
1 36 LEU 0.858 0.079 10 0 "[ . 1 . 2]"
1 37 ASP 0.316 0.053 20 0 "[ . 1 . 2]"
1 38 ASP 0.169 0.037 11 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ARG 2.025 0.127 12 0 "[ . 1 . 2]"
1 41 LYS 0.863 0.148 13 0 "[ . 1 . 2]"
1 42 TRP 1.426 0.127 12 0 "[ . 1 . 2]"
1 43 TRP 1.545 0.064 17 0 "[ . 1 . 2]"
1 44 LYS 1.560 0.067 14 0 "[ . 1 . 2]"
1 45 VAL 2.698 0.121 13 0 "[ . 1 . 2]"
1 46 ARG 2.725 0.113 16 0 "[ . 1 . 2]"
1 47 ASP 1.429 0.080 7 0 "[ . 1 . 2]"
1 48 PRO 1.115 0.068 6 0 "[ . 1 . 2]"
1 49 ALA 3.454 0.106 12 0 "[ . 1 . 2]"
1 50 GLY 0.901 0.044 8 0 "[ . 1 . 2]"
1 51 GLN 3.223 0.114 1 0 "[ . 1 . 2]"
1 52 GLU 1.602 0.113 16 0 "[ . 1 . 2]"
1 53 GLY 2.023 0.108 15 0 "[ . 1 . 2]"
1 54 TYR 1.433 0.145 11 0 "[ . 1 . 2]"
1 55 VAL 1.336 0.060 10 0 "[ . 1 . 2]"
1 56 PRO 0.603 0.068 6 0 "[ . 1 . 2]"
1 57 TYR 0.473 0.044 8 0 "[ . 1 . 2]"
1 58 ASN 0.123 0.044 8 0 "[ . 1 . 2]"
1 59 ILE 0.666 0.072 6 0 "[ . 1 . 2]"
1 60 LEU 0.497 0.145 3 0 "[ . 1 . 2]"
1 61 THR 0.725 0.145 3 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.525 0.077 3 0 "[ . 1 . 2]"
1 64 PRO 0.954 0.090 11 0 "[ . 1 . 2]"
1 65 ALA 0.124 0.042 14 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LEU H 1 3 LEU QB . . 3.330 2.527 2.180 3.341 0.011 7 0 "[ . 1 . 2]" 1
2 1 3 LEU HA 1 3 LEU QD . . 3.180 2.446 2.049 3.342 0.162 7 0 "[ . 1 . 2]" 1
3 1 7 ALA HA 1 8 LEU H . . 3.090 2.565 2.191 3.120 0.030 15 0 "[ . 1 . 2]" 1
4 1 7 ALA MB 1 8 LEU H . . 3.710 3.222 2.321 3.745 0.035 3 0 "[ . 1 . 2]" 1
5 1 8 LEU H 1 8 LEU QB . . 3.600 2.566 2.161 3.335 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU H 1 8 LEU HG . . 3.880 2.939 2.027 3.891 0.011 17 0 "[ . 1 . 2]" 1
7 1 8 LEU HA 1 8 LEU QD . . 3.740 2.546 2.094 3.490 . 0 0 "[ . 1 . 2]" 1
8 1 8 LEU HA 1 8 LEU HG . . 3.870 3.123 2.392 3.844 . 0 0 "[ . 1 . 2]" 1
9 1 8 LEU HA 1 9 LYS H . . 3.190 2.417 2.155 3.219 0.029 11 0 "[ . 1 . 2]" 1
10 1 8 LEU QB 1 9 LYS H . . 3.840 2.822 2.274 3.897 0.057 10 0 "[ . 1 . 2]" 1
11 1 8 LEU QB 1 10 TRP HE1 . . 4.460 2.281 2.007 2.733 . 0 0 "[ . 1 . 2]" 1
12 1 8 LEU QB 1 10 TRP HZ2 . . 4.570 4.345 3.739 4.586 0.016 8 0 "[ . 1 . 2]" 1
13 1 8 LEU HB2 1 9 LYS H . . 4.470 3.695 2.697 4.486 0.016 19 0 "[ . 1 . 2]" 1
14 1 8 LEU HB2 1 10 TRP HZ2 . . 5.310 4.989 3.841 5.370 0.060 15 0 "[ . 1 . 2]" 1
15 1 8 LEU HB3 1 9 LYS H . . 4.470 3.128 2.297 4.488 0.018 3 0 "[ . 1 . 2]" 1
16 1 8 LEU HB3 1 10 TRP HZ2 . . 5.310 4.943 4.387 5.384 0.074 11 0 "[ . 1 . 2]" 1
17 1 8 LEU QD 1 10 TRP HD1 . . 4.840 3.808 2.238 4.817 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU QD 1 10 TRP HH2 . . 5.500 5.112 4.378 5.547 0.047 4 0 "[ . 1 . 2]" 1
19 1 8 LEU QD 1 10 TRP HZ2 . . 4.260 3.248 2.578 3.905 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS H 1 9 LYS QD . . 4.930 4.245 2.725 4.873 . 0 0 "[ . 1 . 2]" 1
21 1 9 LYS H 1 10 TRP H . . 4.290 3.858 2.698 4.325 0.035 17 0 "[ . 1 . 2]" 1
22 1 9 LYS HA 1 9 LYS HG2 . . 4.230 2.959 2.289 3.860 . 0 0 "[ . 1 . 2]" 1
23 1 9 LYS HA 1 9 LYS QG . . 3.560 2.564 2.263 3.373 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS HA 1 9 LYS HG3 . . 4.230 3.150 2.412 3.798 . 0 0 "[ . 1 . 2]" 1
25 1 9 LYS HA 1 10 TRP H . . 3.220 2.229 2.056 2.729 . 0 0 "[ . 1 . 2]" 1
26 1 9 LYS HA 1 10 TRP HD1 . . 4.550 3.753 3.194 4.571 0.021 10 0 "[ . 1 . 2]" 1
27 1 9 LYS QB 1 10 TRP H . . 4.000 3.655 3.061 4.032 0.032 5 0 "[ . 1 . 2]" 1
28 1 9 LYS QB 1 10 TRP HD1 . . 5.500 5.079 4.531 5.553 0.053 4 0 "[ . 1 . 2]" 1
29 1 10 TRP H 1 10 TRP HB2 . . 4.180 2.565 2.364 2.730 . 0 0 "[ . 1 . 2]" 1
30 1 10 TRP H 1 10 TRP QB . . 3.570 2.520 2.332 2.674 . 0 0 "[ . 1 . 2]" 1
31 1 10 TRP H 1 10 TRP HB3 . . 4.180 3.701 3.573 3.827 . 0 0 "[ . 1 . 2]" 1
32 1 10 TRP H 1 10 TRP HD1 . . 4.450 2.630 1.909 3.137 . 0 0 "[ . 1 . 2]" 1
33 1 10 TRP HA 1 10 TRP HD1 . . 4.770 3.893 3.677 4.036 . 0 0 "[ . 1 . 2]" 1
34 1 10 TRP HA 1 10 TRP HE3 . . 4.010 3.751 3.465 4.038 0.028 12 0 "[ . 1 . 2]" 1
35 1 10 TRP HA 1 11 VAL H . . 3.120 2.285 2.207 2.366 . 0 0 "[ . 1 . 2]" 1
36 1 10 TRP HA 1 32 VAL QG . . 4.610 4.241 3.887 4.601 . 0 0 "[ . 1 . 2]" 1
37 1 10 TRP HA 1 34 GLU HA . . 3.680 2.363 2.116 2.653 . 0 0 "[ . 1 . 2]" 1
38 1 10 TRP HA 1 35 VAL H . . 4.260 3.067 2.331 3.645 . 0 0 "[ . 1 . 2]" 1
39 1 10 TRP QB 1 10 TRP HE3 . . 3.640 2.534 2.484 2.624 . 0 0 "[ . 1 . 2]" 1
40 1 10 TRP QB 1 11 VAL H . . 3.730 2.547 2.376 2.704 . 0 0 "[ . 1 . 2]" 1
41 1 10 TRP QB 1 32 VAL QG . . 3.490 2.405 2.094 2.781 . 0 0 "[ . 1 . 2]" 1
42 1 10 TRP QB 1 34 GLU HA . . 5.120 3.842 3.380 4.022 . 0 0 "[ . 1 . 2]" 1
43 1 10 TRP QB 1 63 TYR QB . . 4.040 2.903 2.268 3.378 . 0 0 "[ . 1 . 2]" 1
44 1 10 TRP HB2 1 11 VAL H . . 4.420 3.786 3.633 3.895 . 0 0 "[ . 1 . 2]" 1
45 1 10 TRP HB3 1 11 VAL H . . 4.420 2.589 2.408 2.763 . 0 0 "[ . 1 . 2]" 1
46 1 10 TRP HD1 1 32 VAL QG . . 5.320 5.106 4.747 5.351 0.031 13 0 "[ . 1 . 2]" 1
47 1 10 TRP HD1 1 34 GLU HA . . 5.330 5.102 4.780 5.405 0.075 14 0 "[ . 1 . 2]" 1
48 1 10 TRP HD1 1 34 GLU QB . . 5.500 5.338 4.484 5.573 0.073 13 0 "[ . 1 . 2]" 1
49 1 10 TRP HD1 1 34 GLU QG . . 4.940 4.416 3.449 5.031 0.091 5 0 "[ . 1 . 2]" 1
50 1 10 TRP HE3 1 11 VAL H . . 4.710 3.745 3.569 4.169 . 0 0 "[ . 1 . 2]" 1
51 1 10 TRP HE3 1 32 VAL QG . . 3.630 2.161 2.068 2.338 . 0 0 "[ . 1 . 2]" 1
52 1 10 TRP HE3 1 34 GLU HA . . 4.190 3.637 3.271 3.896 . 0 0 "[ . 1 . 2]" 1
53 1 10 TRP HZ3 1 32 VAL QG . . 3.870 3.165 2.628 3.864 . 0 0 "[ . 1 . 2]" 1
54 1 11 VAL H 1 11 VAL MG1 . . 4.340 3.249 3.080 3.349 . 0 0 "[ . 1 . 2]" 1
55 1 11 VAL H 1 11 VAL MG2 . . 3.390 2.288 2.156 2.378 . 0 0 "[ . 1 . 2]" 1
56 1 11 VAL H 1 32 VAL QG . . 4.620 3.394 2.928 3.882 . 0 0 "[ . 1 . 2]" 1
57 1 11 VAL H 1 33 LEU H . . 3.910 3.154 2.894 3.769 . 0 0 "[ . 1 . 2]" 1
58 1 11 VAL H 1 34 GLU HA . . 4.670 3.545 3.210 3.968 . 0 0 "[ . 1 . 2]" 1
59 1 11 VAL HA 1 11 VAL MG1 . . 3.290 2.254 2.212 2.292 . 0 0 "[ . 1 . 2]" 1
60 1 11 VAL HA 1 11 VAL MG2 . . 3.720 3.270 3.258 3.275 . 0 0 "[ . 1 . 2]" 1
61 1 11 VAL HA 1 62 PRO HA . . 4.170 3.070 2.648 3.775 . 0 0 "[ . 1 . 2]" 1
62 1 11 VAL HA 1 63 TYR H . . 3.680 3.460 3.043 3.743 0.063 13 0 "[ . 1 . 2]" 1
63 1 11 VAL HA 1 63 TYR HB2 . . 4.740 3.021 2.228 3.651 . 0 0 "[ . 1 . 2]" 1
64 1 11 VAL HA 1 63 TYR QB . . 4.110 2.909 2.210 3.477 . 0 0 "[ . 1 . 2]" 1
65 1 11 VAL HA 1 63 TYR HB3 . . 4.740 3.879 3.584 4.368 . 0 0 "[ . 1 . 2]" 1
66 1 11 VAL HB 1 12 LEU H . . 3.740 3.190 2.764 3.733 . 0 0 "[ . 1 . 2]" 1
67 1 11 VAL HB 1 60 LEU HB2 . . 4.420 4.178 3.987 4.435 0.015 5 0 "[ . 1 . 2]" 1
68 1 11 VAL HB 1 60 LEU HB3 . . 3.680 2.541 2.342 2.742 . 0 0 "[ . 1 . 2]" 1
69 1 11 VAL HB 1 60 LEU QD . . 3.770 3.017 2.671 3.349 . 0 0 "[ . 1 . 2]" 1
70 1 11 VAL HB 1 61 THR H . . 4.190 3.035 2.635 4.058 . 0 0 "[ . 1 . 2]" 1
71 1 11 VAL HB 1 61 THR HA . . 4.910 4.876 4.696 4.994 0.084 14 0 "[ . 1 . 2]" 1
72 1 11 VAL HB 1 62 PRO HA . . 4.630 4.328 3.969 4.600 . 0 0 "[ . 1 . 2]" 1
73 1 11 VAL MG1 1 12 LEU H . . 4.370 3.710 3.564 3.961 . 0 0 "[ . 1 . 2]" 1
74 1 11 VAL MG1 1 43 TRP HE3 . . 3.840 3.073 2.541 3.444 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL MG1 1 43 TRP HH2 . . 4.120 4.021 3.743 4.132 0.012 12 0 "[ . 1 . 2]" 1
76 1 11 VAL MG1 1 43 TRP HZ3 . . 3.510 2.232 2.113 2.337 . 0 0 "[ . 1 . 2]" 1
77 1 11 VAL MG1 1 62 PRO HA . . 3.570 2.506 2.232 2.870 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL MG1 1 62 PRO QB . . 4.350 3.891 3.609 4.152 . 0 0 "[ . 1 . 2]" 1
79 1 11 VAL MG1 1 63 TYR H . . 4.520 3.986 3.689 4.423 . 0 0 "[ . 1 . 2]" 1
80 1 11 VAL MG2 1 33 LEU H . . 3.850 3.334 3.004 3.852 0.002 8 0 "[ . 1 . 2]" 1
81 1 11 VAL MG2 1 33 LEU HB2 . . 3.320 2.626 2.162 3.081 . 0 0 "[ . 1 . 2]" 1
82 1 11 VAL MG2 1 43 TRP HZ3 . . 4.500 3.759 3.333 4.045 . 0 0 "[ . 1 . 2]" 1
83 1 11 VAL MG2 1 60 LEU QD . . 2.840 2.094 1.988 2.186 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU H 1 61 THR H . . 4.170 3.593 2.863 4.192 0.022 3 0 "[ . 1 . 2]" 1
85 1 12 LEU H 1 63 TYR HB2 . . 4.820 2.713 2.192 3.199 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU H 1 63 TYR HB3 . . 4.820 4.265 3.663 4.897 0.077 3 0 "[ . 1 . 2]" 1
87 1 12 LEU HA 1 13 CYS H . . 3.060 2.219 2.117 2.339 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU HB2 1 63 TYR QB . . 4.200 2.657 2.275 3.367 . 0 0 "[ . 1 . 2]" 1
89 1 12 LEU HB2 1 63 TYR QD . . 3.910 2.624 2.226 3.030 . 0 0 "[ . 1 . 2]" 1
90 1 12 LEU HB2 1 64 PRO QD . . 4.940 4.913 4.321 5.030 0.090 11 0 "[ . 1 . 2]" 1
91 1 12 LEU HB3 1 61 THR H . . 4.920 4.433 4.001 4.827 . 0 0 "[ . 1 . 2]" 1
92 1 12 LEU HB3 1 63 TYR QB . . 4.860 3.754 3.182 4.445 . 0 0 "[ . 1 . 2]" 1
93 1 12 LEU HB3 1 63 TYR QD . . 4.750 3.689 3.272 4.188 . 0 0 "[ . 1 . 2]" 1
94 1 12 LEU QD 1 30 ARG H . . 5.440 5.128 4.808 5.439 . 0 0 "[ . 1 . 2]" 1
95 1 12 LEU QD 1 30 ARG QB . . 4.610 4.489 4.149 4.655 0.045 2 0 "[ . 1 . 2]" 1
96 1 12 LEU QD 1 63 TYR QD . . 4.800 2.614 2.239 3.385 . 0 0 "[ . 1 . 2]" 1
97 1 12 LEU QD 1 63 TYR QE . . 4.300 2.634 2.256 2.962 . 0 0 "[ . 1 . 2]" 1
98 1 12 LEU QD 1 64 PRO QD . . 5.280 4.381 3.832 4.645 . 0 0 "[ . 1 . 2]" 1
99 1 12 LEU MD1 1 63 TYR QE . . 5.020 3.094 2.305 4.159 . 0 0 "[ . 1 . 2]" 1
100 1 12 LEU MD2 1 63 TYR QE . . 5.020 3.483 2.456 5.052 0.032 2 0 "[ . 1 . 2]" 1
101 1 12 LEU HG 1 13 CYS H . . 3.980 3.101 2.439 3.739 . 0 0 "[ . 1 . 2]" 1
102 1 12 LEU HG 1 30 ARG HA . . 4.730 4.638 4.126 4.849 0.119 1 0 "[ . 1 . 2]" 1
103 1 13 CYS H 1 13 CYS HB2 . . 3.540 2.263 2.125 2.526 . 0 0 "[ . 1 . 2]" 1
104 1 13 CYS H 1 13 CYS HB3 . . 3.570 2.936 2.519 3.505 . 0 0 "[ . 1 . 2]" 1
105 1 13 CYS H 1 14 ASN H . . 4.750 4.648 4.461 4.723 . 0 0 "[ . 1 . 2]" 1
106 1 13 CYS H 1 31 ASP H . . 4.620 4.122 3.950 4.390 . 0 0 "[ . 1 . 2]" 1
107 1 13 CYS H 1 33 LEU QD . . 4.640 3.858 3.214 4.348 . 0 0 "[ . 1 . 2]" 1
108 1 13 CYS HA 1 14 ASN H . . 3.120 2.278 2.177 2.389 . 0 0 "[ . 1 . 2]" 1
109 1 13 CYS HA 1 60 LEU QD . . 3.320 2.587 2.226 2.808 . 0 0 "[ . 1 . 2]" 1
110 1 13 CYS HA 1 61 THR H . . 4.730 3.477 3.161 3.961 . 0 0 "[ . 1 . 2]" 1
111 1 13 CYS HB2 1 14 ASN H . . 4.810 4.335 4.085 4.651 . 0 0 "[ . 1 . 2]" 1
112 1 13 CYS HB2 1 27 VAL MG2 . . 4.430 4.164 3.803 4.455 0.025 17 0 "[ . 1 . 2]" 1
113 1 13 CYS HB2 1 29 GLN HA . . 4.290 3.942 3.440 4.299 0.009 6 0 "[ . 1 . 2]" 1
114 1 13 CYS HB2 1 30 ARG H . . 5.500 5.252 4.425 5.576 0.076 7 0 "[ . 1 . 2]" 1
115 1 13 CYS HB2 1 31 ASP H . . 4.170 3.601 2.795 4.177 0.007 2 0 "[ . 1 . 2]" 1
116 1 13 CYS HB2 1 33 LEU QD . . 3.790 3.240 2.241 3.818 0.028 5 0 "[ . 1 . 2]" 1
117 1 13 CYS HB2 1 60 LEU QD . . 4.330 3.611 3.030 4.369 0.039 17 0 "[ . 1 . 2]" 1
118 1 13 CYS HB3 1 14 ASN H . . 4.810 3.668 2.979 4.308 . 0 0 "[ . 1 . 2]" 1
119 1 13 CYS HB3 1 15 TYR H . . 4.630 3.817 2.893 4.523 . 0 0 "[ . 1 . 2]" 1
120 1 13 CYS HB3 1 27 VAL MG2 . . 4.590 4.265 3.483 4.621 0.031 14 0 "[ . 1 . 2]" 1
121 1 13 CYS HB3 1 29 GLN HA . . 4.080 2.550 2.125 3.206 . 0 0 "[ . 1 . 2]" 1
122 1 13 CYS HB3 1 30 ARG H . . 4.980 4.536 4.218 5.028 0.048 17 0 "[ . 1 . 2]" 1
123 1 13 CYS HB3 1 31 ASP H . . 3.990 3.581 2.936 4.096 0.106 17 0 "[ . 1 . 2]" 1
124 1 13 CYS HB3 1 33 LEU QD . . 4.700 4.373 3.660 4.604 . 0 0 "[ . 1 . 2]" 1
125 1 13 CYS HB3 1 60 LEU QD . . 4.480 4.233 3.921 4.504 0.024 6 0 "[ . 1 . 2]" 1
126 1 14 ASN H 1 14 ASN HB2 . . 3.870 2.495 2.238 2.692 . 0 0 "[ . 1 . 2]" 1
127 1 14 ASN H 1 14 ASN QB . . 3.280 2.361 2.186 2.551 . 0 0 "[ . 1 . 2]" 1
128 1 14 ASN H 1 14 ASN HB3 . . 3.870 3.056 2.692 3.635 . 0 0 "[ . 1 . 2]" 1
129 1 14 ASN H 1 15 TYR H . . 3.210 2.176 1.871 2.476 . 0 0 "[ . 1 . 2]" 1
130 1 14 ASN H 1 15 TYR QD . . 4.240 3.965 3.686 4.193 . 0 0 "[ . 1 . 2]" 1
131 1 14 ASN H 1 59 ILE HB . . 4.730 3.846 3.658 4.153 . 0 0 "[ . 1 . 2]" 1
132 1 14 ASN H 1 60 LEU HA . . 4.620 3.164 2.585 3.406 . 0 0 "[ . 1 . 2]" 1
133 1 14 ASN H 1 60 LEU QD . . 4.140 3.840 3.385 4.083 . 0 0 "[ . 1 . 2]" 1
134 1 14 ASN QB 1 15 TYR H . . 3.700 3.147 2.910 3.357 . 0 0 "[ . 1 . 2]" 1
135 1 14 ASN QB 1 15 TYR QD . . 3.090 2.523 2.266 2.951 . 0 0 "[ . 1 . 2]" 1
136 1 14 ASN QB 1 15 TYR QE . . 3.510 2.810 2.664 2.977 . 0 0 "[ . 1 . 2]" 1
137 1 14 ASN QB 1 59 ILE HA . . 4.130 3.492 2.903 4.136 0.006 5 0 "[ . 1 . 2]" 1
138 1 14 ASN HB2 1 15 TYR QD . . 3.940 3.748 2.799 4.003 0.063 16 0 "[ . 1 . 2]" 1
139 1 14 ASN HB2 1 15 TYR QE . . 4.170 4.012 3.100 4.226 0.056 8 0 "[ . 1 . 2]" 1
140 1 14 ASN HB2 1 61 THR MG . . 4.890 2.604 2.129 3.254 . 0 0 "[ . 1 . 2]" 1
141 1 14 ASN HB3 1 15 TYR QD . . 3.940 2.631 2.279 3.286 . 0 0 "[ . 1 . 2]" 1
142 1 14 ASN HB3 1 15 TYR QE . . 4.170 2.880 2.732 3.070 . 0 0 "[ . 1 . 2]" 1
143 1 14 ASN HB3 1 61 THR MG . . 4.890 3.633 3.330 4.201 . 0 0 "[ . 1 . 2]" 1
144 1 15 TYR H 1 15 TYR HB2 . . 4.090 2.866 2.811 2.911 . 0 0 "[ . 1 . 2]" 1
145 1 15 TYR H 1 15 TYR HB3 . . 4.000 3.906 3.871 3.929 . 0 0 "[ . 1 . 2]" 1
146 1 15 TYR H 1 15 TYR QD . . 4.250 3.218 3.084 3.354 . 0 0 "[ . 1 . 2]" 1
147 1 15 TYR H 1 29 GLN HA . . 4.360 3.673 3.192 4.229 . 0 0 "[ . 1 . 2]" 1
148 1 15 TYR H 1 29 GLN HG3 . . 4.540 4.309 4.016 4.593 0.053 8 0 "[ . 1 . 2]" 1
149 1 15 TYR H 1 59 ILE HB . . 3.800 3.003 2.763 3.101 . 0 0 "[ . 1 . 2]" 1
150 1 15 TYR H 1 59 ILE MD . . 4.350 4.186 3.645 4.351 0.001 17 0 "[ . 1 . 2]" 1
151 1 15 TYR H 1 59 ILE MG . . 4.780 4.283 3.935 4.440 . 0 0 "[ . 1 . 2]" 1
152 1 15 TYR HA 1 15 TYR QD . . 3.250 2.890 2.762 3.026 . 0 0 "[ . 1 . 2]" 1
153 1 15 TYR HA 1 16 ASP H . . 3.240 2.253 2.191 2.322 . 0 0 "[ . 1 . 2]" 1
154 1 15 TYR HA 1 29 GLN HA . . 4.470 4.048 3.506 4.490 0.020 2 0 "[ . 1 . 2]" 1
155 1 15 TYR HA 1 29 GLN QB . . 3.580 2.948 2.468 3.592 0.012 14 0 "[ . 1 . 2]" 1
156 1 15 TYR HA 1 29 GLN HG3 . . 3.810 3.594 3.126 3.826 0.016 9 0 "[ . 1 . 2]" 1
157 1 15 TYR HB2 1 59 ILE HA . . 4.580 3.513 3.187 3.972 . 0 0 "[ . 1 . 2]" 1
158 1 15 TYR HB2 1 59 ILE MD . . 3.950 3.825 3.338 3.982 0.032 9 0 "[ . 1 . 2]" 1
159 1 15 TYR HB2 1 59 ILE MG . . 3.500 2.552 2.299 2.784 . 0 0 "[ . 1 . 2]" 1
160 1 15 TYR HB3 1 16 ASP H . . 3.960 3.094 2.699 3.407 . 0 0 "[ . 1 . 2]" 1
161 1 15 TYR HB3 1 59 ILE HB . . 4.450 4.150 3.905 4.386 . 0 0 "[ . 1 . 2]" 1
162 1 15 TYR HB3 1 59 ILE MG . . 3.850 3.632 3.325 3.859 0.009 19 0 "[ . 1 . 2]" 1
163 1 15 TYR QD 1 59 ILE HA . . 3.200 2.346 2.154 2.628 . 0 0 "[ . 1 . 2]" 1
164 1 15 TYR QD 1 59 ILE HB . . 3.300 3.193 2.656 3.321 0.021 18 0 "[ . 1 . 2]" 1
165 1 15 TYR QD 1 59 ILE MG . . 3.460 2.963 2.570 3.161 . 0 0 "[ . 1 . 2]" 1
166 1 15 TYR QD 1 61 THR MG . . 5.070 5.051 4.968 5.094 0.024 5 0 "[ . 1 . 2]" 1
167 1 15 TYR QE 1 59 ILE HA . . 4.190 3.974 3.691 4.229 0.039 15 0 "[ . 1 . 2]" 1
168 1 15 TYR QE 1 59 ILE MG . . 4.820 4.569 4.117 4.823 0.003 7 0 "[ . 1 . 2]" 1
169 1 15 TYR QE 1 61 THR MG . . 4.860 4.587 4.455 4.729 . 0 0 "[ . 1 . 2]" 1
170 1 16 ASP H 1 16 ASP QB . . 3.630 2.461 2.145 2.652 . 0 0 "[ . 1 . 2]" 1
171 1 16 ASP H 1 29 GLN H . . 4.420 3.898 3.589 4.194 . 0 0 "[ . 1 . 2]" 1
172 1 16 ASP H 1 29 GLN QB . . 4.310 3.010 2.549 3.302 . 0 0 "[ . 1 . 2]" 1
173 1 16 ASP HA 1 17 PHE H . . 3.030 2.287 2.130 2.389 . 0 0 "[ . 1 . 2]" 1
174 1 16 ASP HA 1 27 VAL H . . 5.320 4.671 4.494 4.875 . 0 0 "[ . 1 . 2]" 1
175 1 16 ASP HA 1 27 VAL MG2 . . 3.800 3.078 2.706 3.506 . 0 0 "[ . 1 . 2]" 1
176 1 16 ASP HA 1 28 LYS HA . . 3.200 2.544 2.290 2.824 . 0 0 "[ . 1 . 2]" 1
177 1 16 ASP HA 1 28 LYS QG . . 5.250 4.879 4.273 5.262 0.012 14 0 "[ . 1 . 2]" 1
178 1 16 ASP HA 1 29 GLN H . . 3.660 3.464 3.061 3.694 0.034 14 0 "[ . 1 . 2]" 1
179 1 16 ASP QB 1 17 PHE H . . 3.530 2.735 2.544 3.547 0.017 13 0 "[ . 1 . 2]" 1
180 1 16 ASP HB2 1 17 PHE H . . 4.160 2.938 2.577 3.857 . 0 0 "[ . 1 . 2]" 1
181 1 16 ASP HB2 1 28 LYS HA . . 4.170 3.048 2.589 4.260 0.090 5 0 "[ . 1 . 2]" 1
182 1 16 ASP HB2 1 29 GLN H . . 4.610 4.000 2.620 4.670 0.060 1 0 "[ . 1 . 2]" 1
183 1 16 ASP HB3 1 17 PHE H . . 4.160 3.810 2.703 4.193 0.033 6 0 "[ . 1 . 2]" 1
184 1 16 ASP HB3 1 28 LYS HA . . 4.170 2.930 2.415 4.241 0.071 6 0 "[ . 1 . 2]" 1
185 1 16 ASP HB3 1 29 GLN H . . 4.610 3.113 2.458 4.452 . 0 0 "[ . 1 . 2]" 1
186 1 17 PHE H 1 17 PHE HB2 . . 3.960 3.415 3.290 3.507 . 0 0 "[ . 1 . 2]" 1
187 1 17 PHE H 1 17 PHE HB3 . . 3.630 2.881 2.760 3.028 . 0 0 "[ . 1 . 2]" 1
188 1 17 PHE H 1 17 PHE QD . . 4.910 4.431 4.352 4.513 . 0 0 "[ . 1 . 2]" 1
189 1 17 PHE H 1 18 GLN H . . 4.770 3.993 3.603 4.323 . 0 0 "[ . 1 . 2]" 1
190 1 17 PHE H 1 18 GLN QB . . 5.140 5.045 4.722 5.264 0.124 1 0 "[ . 1 . 2]" 1
191 1 17 PHE H 1 27 VAL H . . 3.780 2.991 2.861 3.175 . 0 0 "[ . 1 . 2]" 1
192 1 17 PHE H 1 27 VAL MG2 . . 3.690 2.765 2.459 2.966 . 0 0 "[ . 1 . 2]" 1
193 1 17 PHE H 1 28 LYS HA . . 4.000 3.778 3.553 3.970 . 0 0 "[ . 1 . 2]" 1
194 1 17 PHE HA 1 17 PHE QD . . 3.480 2.809 2.721 2.922 . 0 0 "[ . 1 . 2]" 1
195 1 17 PHE HA 1 18 GLN H . . 2.900 2.173 2.127 2.209 . 0 0 "[ . 1 . 2]" 1
196 1 17 PHE HA 1 18 GLN QB . . 4.520 4.176 3.995 4.523 0.003 14 0 "[ . 1 . 2]" 1
197 1 17 PHE HA 1 27 VAL H . . 5.500 4.875 4.767 5.005 . 0 0 "[ . 1 . 2]" 1
198 1 17 PHE HB2 1 18 GLN H . . 4.480 4.336 4.065 4.536 0.056 6 0 "[ . 1 . 2]" 1
199 1 17 PHE HB2 1 27 VAL H . . 5.500 5.019 4.803 5.206 . 0 0 "[ . 1 . 2]" 1
200 1 17 PHE HB2 1 27 VAL MG2 . . 3.360 3.335 3.238 3.391 0.031 13 0 "[ . 1 . 2]" 1
201 1 17 PHE HB2 1 55 VAL MG1 . . 4.830 4.775 4.220 4.885 0.055 16 0 "[ . 1 . 2]" 1
202 1 17 PHE HB2 1 59 ILE MD . . 3.350 2.153 2.018 2.597 . 0 0 "[ . 1 . 2]" 1
203 1 17 PHE HB2 1 59 ILE MG . . 4.210 3.285 2.917 3.851 . 0 0 "[ . 1 . 2]" 1
204 1 17 PHE HB3 1 18 GLN H . . 4.740 4.372 4.136 4.497 . 0 0 "[ . 1 . 2]" 1
205 1 17 PHE HB3 1 26 SER HA . . 4.530 4.433 4.137 4.584 0.054 6 0 "[ . 1 . 2]" 1
206 1 17 PHE HB3 1 27 VAL H . . 4.020 3.480 3.209 3.704 . 0 0 "[ . 1 . 2]" 1
207 1 17 PHE HB3 1 27 VAL MG2 . . 3.090 2.133 2.078 2.208 . 0 0 "[ . 1 . 2]" 1
208 1 17 PHE HB3 1 55 VAL MG1 . . 4.240 3.638 3.169 3.878 . 0 0 "[ . 1 . 2]" 1
209 1 17 PHE HB3 1 59 ILE MD . . 3.550 2.391 2.243 2.677 . 0 0 "[ . 1 . 2]" 1
210 1 17 PHE HB3 1 59 ILE MG . . 5.330 4.482 4.135 5.074 . 0 0 "[ . 1 . 2]" 1
211 1 17 PHE QD 1 19 ALA H . . 5.000 4.571 3.641 4.779 . 0 0 "[ . 1 . 2]" 1
212 1 17 PHE QD 1 19 ALA HA . . 4.960 4.991 4.874 5.047 0.087 15 0 "[ . 1 . 2]" 1
213 1 17 PHE QD 1 19 ALA MB . . 4.430 2.683 2.442 3.559 . 0 0 "[ . 1 . 2]" 1
214 1 17 PHE QD 1 24 GLU HB3 . . 5.500 5.209 4.615 5.511 0.011 18 0 "[ . 1 . 2]" 1
215 1 17 PHE QD 1 26 SER HA . . 3.690 3.498 2.958 3.710 0.020 14 0 "[ . 1 . 2]" 1
216 1 17 PHE QD 1 27 VAL H . . 4.390 3.855 3.382 4.162 . 0 0 "[ . 1 . 2]" 1
217 1 17 PHE QD 1 27 VAL MG1 . . 4.500 4.106 3.713 4.421 . 0 0 "[ . 1 . 2]" 1
218 1 17 PHE QD 1 27 VAL MG2 . . 3.380 2.903 2.551 3.075 . 0 0 "[ . 1 . 2]" 1
219 1 17 PHE QD 1 55 VAL HB . . 4.870 4.122 3.704 4.596 . 0 0 "[ . 1 . 2]" 1
220 1 17 PHE QD 1 55 VAL MG1 . . 3.460 2.381 2.207 2.654 . 0 0 "[ . 1 . 2]" 1
221 1 17 PHE QD 1 56 PRO QD . . 4.330 3.573 3.364 3.909 . 0 0 "[ . 1 . 2]" 1
222 1 17 PHE QD 1 56 PRO HG2 . . 4.770 4.679 4.416 4.822 0.052 15 0 "[ . 1 . 2]" 1
223 1 17 PHE QD 1 56 PRO HG3 . . 4.770 4.489 4.207 4.769 . 0 0 "[ . 1 . 2]" 1
224 1 17 PHE QD 1 59 ILE MD . . 4.260 3.084 2.906 3.715 . 0 0 "[ . 1 . 2]" 1
225 1 17 PHE QD 1 59 ILE MG . . 5.170 3.920 3.370 4.326 . 0 0 "[ . 1 . 2]" 1
226 1 17 PHE QE 1 19 ALA HA . . 4.330 4.203 3.764 4.360 0.030 10 0 "[ . 1 . 2]" 1
227 1 17 PHE QE 1 19 ALA MB . . 4.530 2.202 2.121 2.315 . 0 0 "[ . 1 . 2]" 1
228 1 17 PHE QE 1 24 GLU HA . . 5.500 5.385 5.068 5.569 0.069 11 0 "[ . 1 . 2]" 1
229 1 17 PHE QE 1 24 GLU HB3 . . 4.140 3.596 3.098 3.810 . 0 0 "[ . 1 . 2]" 1
230 1 17 PHE QE 1 42 TRP HZ3 . . 3.990 2.960 2.471 3.401 . 0 0 "[ . 1 . 2]" 1
231 1 17 PHE QE 1 55 VAL HA . . 4.740 3.418 3.014 3.869 . 0 0 "[ . 1 . 2]" 1
232 1 17 PHE QE 1 55 VAL MG1 . . 4.500 2.696 2.280 3.218 . 0 0 "[ . 1 . 2]" 1
233 1 17 PHE QE 1 56 PRO HD2 . . 4.580 3.655 3.188 4.217 . 0 0 "[ . 1 . 2]" 1
234 1 17 PHE QE 1 56 PRO QD . . 4.020 3.206 2.792 3.528 . 0 0 "[ . 1 . 2]" 1
235 1 17 PHE QE 1 56 PRO HD3 . . 4.580 3.555 3.085 3.911 . 0 0 "[ . 1 . 2]" 1
236 1 17 PHE QE 1 56 PRO HG3 . . 4.300 3.904 3.484 4.321 0.021 15 0 "[ . 1 . 2]" 1
237 1 17 PHE HZ 1 19 ALA HA . . 5.090 4.916 3.650 5.155 0.065 15 0 "[ . 1 . 2]" 1
238 1 17 PHE HZ 1 42 TRP HH2 . . 4.230 2.699 2.339 3.249 . 0 0 "[ . 1 . 2]" 1
239 1 17 PHE HZ 1 42 TRP HZ3 . . 4.250 3.274 2.799 3.981 . 0 0 "[ . 1 . 2]" 1
240 1 18 GLN H 1 18 GLN QB . . 3.160 2.399 2.193 3.178 0.018 20 0 "[ . 1 . 2]" 1
241 1 18 GLN H 1 18 GLN QG . . 4.030 3.469 2.024 4.080 0.050 18 0 "[ . 1 . 2]" 1
242 1 18 GLN H 1 19 ALA H . . 5.400 4.460 3.749 4.653 . 0 0 "[ . 1 . 2]" 1
243 1 18 GLN HA 1 18 GLN QG . . 3.700 2.567 2.265 3.505 . 0 0 "[ . 1 . 2]" 1
244 1 18 GLN HA 1 19 ALA H . . 2.800 2.156 2.071 2.265 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLN HA 1 19 ALA MB . . 4.050 3.865 3.660 3.952 . 0 0 "[ . 1 . 2]" 1
246 1 18 GLN HA 1 26 SER HA . . 3.530 3.000 2.646 3.427 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLN HA 1 26 SER HB2 . . 4.580 2.779 2.467 4.306 . 0 0 "[ . 1 . 2]" 1
248 1 18 GLN HA 1 26 SER QB . . 3.750 2.395 2.151 3.175 . 0 0 "[ . 1 . 2]" 1
249 1 18 GLN HA 1 26 SER HB3 . . 4.580 2.750 2.258 4.529 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLN HA 1 27 VAL H . . 4.090 3.794 3.486 4.071 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLN QB 1 19 ALA H . . 3.950 3.623 3.185 3.899 . 0 0 "[ . 1 . 2]" 1
252 1 18 GLN QB 1 26 SER HA . . 5.210 4.941 4.400 5.237 0.027 7 0 "[ . 1 . 2]" 1
253 1 18 GLN QG 1 19 ALA H . . 4.470 3.376 2.652 4.565 0.095 20 0 "[ . 1 . 2]" 1
254 1 19 ALA H 1 19 ALA MB . . 2.940 2.593 2.069 2.762 . 0 0 "[ . 1 . 2]" 1
255 1 19 ALA H 1 25 LEU HA . . 4.910 4.697 4.421 4.960 0.050 6 0 "[ . 1 . 2]" 1
256 1 19 ALA H 1 26 SER HA . . 3.530 2.597 2.377 2.925 . 0 0 "[ . 1 . 2]" 1
257 1 19 ALA H 1 26 SER HB2 . . 4.480 3.272 2.115 3.991 . 0 0 "[ . 1 . 2]" 1
258 1 19 ALA H 1 26 SER QB . . 3.900 2.171 1.847 3.144 . 0 0 "[ . 1 . 2]" 1
259 1 19 ALA H 1 26 SER HB3 . . 4.480 2.369 1.858 4.033 . 0 0 "[ . 1 . 2]" 1
260 1 19 ALA H 1 27 VAL H . . 4.590 4.477 4.282 4.631 0.041 12 0 "[ . 1 . 2]" 1
261 1 19 ALA HA 1 20 ARG QG . . 5.000 4.429 4.010 4.954 . 0 0 "[ . 1 . 2]" 1
262 1 19 ALA HA 1 21 ASN H . . 4.200 3.752 3.549 4.267 0.067 5 0 "[ . 1 . 2]" 1
263 1 19 ALA HA 1 24 GLU HB2 . . 4.320 4.135 3.845 4.414 0.094 18 0 "[ . 1 . 2]" 1
264 1 19 ALA HA 1 24 GLU HB3 . . 4.310 4.024 3.826 4.335 0.025 6 0 "[ . 1 . 2]" 1
265 1 19 ALA HA 1 24 GLU QG . . 5.340 5.361 4.692 5.448 0.108 19 0 "[ . 1 . 2]" 1
266 1 19 ALA MB 1 20 ARG H . . 3.550 2.951 1.982 3.328 . 0 0 "[ . 1 . 2]" 1
267 1 19 ALA MB 1 20 ARG HA . . 4.660 4.039 3.595 4.240 . 0 0 "[ . 1 . 2]" 1
268 1 19 ALA MB 1 21 ASN H . . 3.600 3.461 2.591 3.721 0.121 15 0 "[ . 1 . 2]" 1
269 1 19 ALA MB 1 24 GLU H . . 4.820 4.618 4.160 4.835 0.015 16 0 "[ . 1 . 2]" 1
270 1 19 ALA MB 1 24 GLU HA . . 4.520 3.783 3.578 3.917 . 0 0 "[ . 1 . 2]" 1
271 1 19 ALA MB 1 24 GLU HB2 . . 3.120 2.725 2.120 3.002 . 0 0 "[ . 1 . 2]" 1
272 1 19 ALA MB 1 24 GLU HB3 . . 3.290 2.004 1.964 2.062 . 0 0 "[ . 1 . 2]" 1
273 1 19 ALA MB 1 24 GLU HG2 . . 4.460 3.777 3.601 4.192 . 0 0 "[ . 1 . 2]" 1
274 1 19 ALA MB 1 24 GLU HG3 . . 4.460 4.295 3.147 4.540 0.080 9 0 "[ . 1 . 2]" 1
275 1 19 ALA MB 1 25 LEU H . . 4.160 2.608 2.452 2.896 . 0 0 "[ . 1 . 2]" 1
276 1 19 ALA MB 1 25 LEU HA . . 3.280 3.239 3.024 3.355 0.075 11 0 "[ . 1 . 2]" 1
277 1 19 ALA MB 1 26 SER H . . 3.640 3.461 3.298 3.674 0.034 15 0 "[ . 1 . 2]" 1
278 1 19 ALA MB 1 26 SER HA . . 3.980 2.842 2.417 3.209 . 0 0 "[ . 1 . 2]" 1
279 1 19 ALA MB 1 26 SER HB2 . . 4.900 4.626 3.859 4.934 0.034 20 0 "[ . 1 . 2]" 1
280 1 19 ALA MB 1 26 SER QB . . 4.210 3.723 3.345 4.137 . 0 0 "[ . 1 . 2]" 1
281 1 19 ALA MB 1 26 SER HB3 . . 4.900 4.001 3.479 4.941 0.041 1 0 "[ . 1 . 2]" 1
282 1 19 ALA MB 1 27 VAL H . . 5.130 4.471 4.177 5.117 . 0 0 "[ . 1 . 2]" 1
283 1 19 ALA MB 1 42 TRP HZ3 . . 5.000 4.122 3.806 4.514 . 0 0 "[ . 1 . 2]" 1
284 1 20 ARG H 1 20 ARG HB2 . . 4.100 2.994 2.649 3.586 . 0 0 "[ . 1 . 2]" 1
285 1 20 ARG H 1 20 ARG QB . . 3.510 2.889 2.587 3.330 . 0 0 "[ . 1 . 2]" 1
286 1 20 ARG H 1 20 ARG HB3 . . 4.100 3.892 3.625 4.022 . 0 0 "[ . 1 . 2]" 1
287 1 20 ARG H 1 20 ARG QD . . 5.180 4.664 4.146 5.183 0.003 2 0 "[ . 1 . 2]" 1
288 1 20 ARG H 1 20 ARG QG . . 3.940 3.246 2.478 3.781 . 0 0 "[ . 1 . 2]" 1
289 1 20 ARG H 1 21 ASN H . . 3.060 2.306 1.986 3.051 . 0 0 "[ . 1 . 2]" 1
290 1 20 ARG H 1 21 ASN HA . . 5.480 4.569 3.969 5.552 0.072 6 0 "[ . 1 . 2]" 1
291 1 20 ARG H 1 24 GLU H . . 5.500 5.447 5.120 5.545 0.045 16 0 "[ . 1 . 2]" 1
292 1 20 ARG H 1 24 GLU HB2 . . 4.050 3.728 3.467 4.081 0.031 5 0 "[ . 1 . 2]" 1
293 1 20 ARG H 1 24 GLU HB3 . . 4.350 4.370 4.121 4.497 0.147 15 0 "[ . 1 . 2]" 1
294 1 20 ARG H 1 25 LEU HA . . 5.500 4.793 2.782 5.530 0.030 16 0 "[ . 1 . 2]" 1
295 1 20 ARG HA 1 20 ARG HD2 . . 4.810 4.046 2.171 4.803 . 0 0 "[ . 1 . 2]" 1
296 1 20 ARG HA 1 20 ARG QD . . 4.230 3.528 2.112 4.246 0.016 16 0 "[ . 1 . 2]" 1
297 1 20 ARG HA 1 20 ARG HD3 . . 4.810 4.135 2.158 4.734 . 0 0 "[ . 1 . 2]" 1
298 1 20 ARG HA 1 20 ARG QG . . 3.320 2.429 2.233 2.756 . 0 0 "[ . 1 . 2]" 1
299 1 20 ARG HA 1 24 GLU H . . 5.180 4.686 4.171 5.241 0.061 5 0 "[ . 1 . 2]" 1
300 1 20 ARG QB 1 21 ASN H . . 4.000 3.806 3.665 4.003 0.003 18 0 "[ . 1 . 2]" 1
301 1 20 ARG HB2 1 21 ASN H . . 4.590 4.148 3.956 4.450 . 0 0 "[ . 1 . 2]" 1
302 1 20 ARG HB2 1 21 ASN HA . . 5.150 4.971 4.558 5.213 0.063 10 0 "[ . 1 . 2]" 1
303 1 20 ARG HB3 1 21 ASN H . . 4.590 4.431 4.205 4.553 . 0 0 "[ . 1 . 2]" 1
304 1 20 ARG HB3 1 21 ASN HA . . 5.150 4.912 4.460 5.140 . 0 0 "[ . 1 . 2]" 1
305 1 20 ARG QG 1 21 ASN H . . 4.720 4.617 4.495 4.809 0.089 13 0 "[ . 1 . 2]" 1
306 1 20 ARG QG 1 25 LEU HA . . 4.000 3.957 3.718 4.143 0.143 8 0 "[ . 1 . 2]" 1
307 1 21 ASN H 1 21 ASN HA . . 2.930 2.906 2.790 2.982 0.052 8 0 "[ . 1 . 2]" 1
308 1 21 ASN H 1 21 ASN QB . . 3.740 2.394 2.166 3.170 . 0 0 "[ . 1 . 2]" 1
309 1 21 ASN H 1 24 GLU HB2 . . 3.500 2.403 2.126 2.641 . 0 0 "[ . 1 . 2]" 1
310 1 21 ASN H 1 24 GLU HB3 . . 4.080 3.831 3.521 4.088 0.008 18 0 "[ . 1 . 2]" 1
311 1 21 ASN H 1 24 GLU HG2 . . 5.390 5.207 3.683 5.516 0.126 18 0 "[ . 1 . 2]" 1
312 1 21 ASN H 1 24 GLU QG . . 4.560 4.238 3.335 4.595 0.035 18 0 "[ . 1 . 2]" 1
313 1 21 ASN H 1 24 GLU HG3 . . 5.390 4.499 3.813 4.917 . 0 0 "[ . 1 . 2]" 1
314 1 22 SER HA 1 24 GLU H . . 5.390 4.344 3.697 4.705 . 0 0 "[ . 1 . 2]" 1
315 1 23 SER H 1 24 GLU H . . 3.790 2.533 2.176 2.883 . 0 0 "[ . 1 . 2]" 1
316 1 23 SER QB 1 24 GLU H . . 4.150 3.877 3.655 4.125 . 0 0 "[ . 1 . 2]" 1
317 1 23 SER QB 1 54 TYR QD . . 3.560 2.711 2.241 3.156 . 0 0 "[ . 1 . 2]" 1
318 1 23 SER HB2 1 54 TYR QD . . 4.220 3.271 2.329 4.238 0.018 1 0 "[ . 1 . 2]" 1
319 1 23 SER HB2 1 54 TYR QE . . 4.730 4.011 2.991 4.763 0.033 4 0 "[ . 1 . 2]" 1
320 1 23 SER HB3 1 54 TYR QD . . 4.220 3.385 2.344 4.297 0.077 6 0 "[ . 1 . 2]" 1
321 1 23 SER HB3 1 54 TYR QE . . 4.730 3.923 2.910 4.704 . 0 0 "[ . 1 . 2]" 1
322 1 24 GLU H 1 24 GLU HB2 . . 3.340 2.559 2.367 2.963 . 0 0 "[ . 1 . 2]" 1
323 1 24 GLU H 1 24 GLU HB3 . . 4.140 3.712 3.573 3.955 . 0 0 "[ . 1 . 2]" 1
324 1 24 GLU H 1 24 GLU QG . . 3.330 2.877 2.396 3.193 . 0 0 "[ . 1 . 2]" 1
325 1 24 GLU H 1 25 LEU H . . 4.680 4.541 4.437 4.650 . 0 0 "[ . 1 . 2]" 1
326 1 24 GLU H 1 53 GLY QA . . 5.330 4.627 4.153 5.196 . 0 0 "[ . 1 . 2]" 1
327 1 24 GLU H 1 54 TYR H . . 4.710 4.658 4.528 4.768 0.058 18 0 "[ . 1 . 2]" 1
328 1 24 GLU H 1 54 TYR HB2 . . 5.460 5.259 4.743 5.483 0.023 13 0 "[ . 1 . 2]" 1
329 1 24 GLU HA 1 24 GLU HG2 . . 3.950 2.665 2.516 3.372 . 0 0 "[ . 1 . 2]" 1
330 1 24 GLU HA 1 24 GLU HG3 . . 3.950 3.009 2.808 3.688 . 0 0 "[ . 1 . 2]" 1
331 1 24 GLU HA 1 25 LEU H . . 3.260 2.371 2.228 2.500 . 0 0 "[ . 1 . 2]" 1
332 1 24 GLU HA 1 25 LEU HA . . 4.640 4.555 4.500 4.621 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLU HA 1 25 LEU QB . . 4.820 3.833 3.761 3.916 . 0 0 "[ . 1 . 2]" 1
334 1 24 GLU HA 1 53 GLY QA . . 4.060 3.154 2.586 4.012 . 0 0 "[ . 1 . 2]" 1
335 1 24 GLU HA 1 54 TYR H . . 3.180 2.303 1.951 2.493 . 0 0 "[ . 1 . 2]" 1
336 1 24 GLU HA 1 54 TYR HB2 . . 4.030 3.165 2.698 3.418 . 0 0 "[ . 1 . 2]" 1
337 1 24 GLU HA 1 54 TYR HB3 . . 4.810 4.620 4.118 4.829 0.019 9 0 "[ . 1 . 2]" 1
338 1 24 GLU HA 1 54 TYR QD . . 4.880 4.206 3.735 4.585 . 0 0 "[ . 1 . 2]" 1
339 1 24 GLU HA 1 55 VAL MG1 . . 4.690 4.371 4.200 4.703 0.013 11 0 "[ . 1 . 2]" 1
340 1 24 GLU HB2 1 25 LEU H . . 4.110 3.749 3.462 4.010 . 0 0 "[ . 1 . 2]" 1
341 1 24 GLU HB3 1 25 LEU H . . 3.660 2.555 2.279 2.940 . 0 0 "[ . 1 . 2]" 1
342 1 24 GLU HB3 1 55 VAL MG1 . . 4.300 4.138 3.832 4.316 0.016 5 0 "[ . 1 . 2]" 1
343 1 24 GLU QG 1 25 LEU H . . 4.230 3.885 3.691 4.263 0.033 11 0 "[ . 1 . 2]" 1
344 1 24 GLU QG 1 42 TRP HE3 . . 4.650 3.933 3.548 4.723 0.073 11 0 "[ . 1 . 2]" 1
345 1 24 GLU QG 1 42 TRP HZ3 . . 3.930 3.264 2.679 3.887 . 0 0 "[ . 1 . 2]" 1
346 1 24 GLU QG 1 54 TYR H . . 4.550 3.791 3.376 4.695 0.145 11 0 "[ . 1 . 2]" 1
347 1 24 GLU HG2 1 25 LEU H . . 5.000 4.106 3.855 4.985 . 0 0 "[ . 1 . 2]" 1
348 1 24 GLU HG2 1 54 TYR HB2 . . 4.500 3.122 2.631 4.540 0.040 11 0 "[ . 1 . 2]" 1
349 1 24 GLU HG3 1 25 LEU H . . 5.000 4.843 4.631 4.996 . 0 0 "[ . 1 . 2]" 1
350 1 24 GLU HG3 1 54 TYR HB2 . . 4.500 3.795 3.203 4.626 0.126 11 0 "[ . 1 . 2]" 1
351 1 25 LEU H 1 25 LEU HB2 . . 3.680 3.167 2.862 3.311 . 0 0 "[ . 1 . 2]" 1
352 1 25 LEU H 1 25 LEU HB3 . . 3.680 2.830 2.686 2.984 . 0 0 "[ . 1 . 2]" 1
353 1 25 LEU H 1 25 LEU QD . . 4.650 4.016 3.881 4.095 . 0 0 "[ . 1 . 2]" 1
354 1 25 LEU H 1 53 GLY QA . . 4.280 3.256 2.816 4.192 . 0 0 "[ . 1 . 2]" 1
355 1 25 LEU H 1 54 TYR H . . 4.050 3.677 3.009 4.039 . 0 0 "[ . 1 . 2]" 1
356 1 25 LEU H 1 55 VAL MG1 . . 4.060 3.080 2.889 3.265 . 0 0 "[ . 1 . 2]" 1
357 1 25 LEU HA 1 25 LEU MD1 . . 4.040 2.833 2.475 3.491 . 0 0 "[ . 1 . 2]" 1
358 1 25 LEU HA 1 25 LEU QD . . 2.990 2.686 2.082 3.043 0.053 8 0 "[ . 1 . 2]" 1
359 1 25 LEU HA 1 25 LEU MD2 . . 4.040 3.668 2.146 4.022 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU HA 1 25 LEU HG . . 4.120 2.606 2.308 3.739 . 0 0 "[ . 1 . 2]" 1
361 1 25 LEU HA 1 26 SER H . . 2.810 2.171 2.106 2.230 . 0 0 "[ . 1 . 2]" 1
362 1 25 LEU HA 1 26 SER HA . . 4.540 4.380 4.295 4.468 . 0 0 "[ . 1 . 2]" 1
363 1 25 LEU QB 1 26 SER H . . 3.930 3.711 3.566 3.770 . 0 0 "[ . 1 . 2]" 1
364 1 25 LEU QB 1 53 GLY H . . 3.810 3.731 3.480 3.850 0.040 17 0 "[ . 1 . 2]" 1
365 1 25 LEU QB 1 53 GLY QA . . 3.110 2.090 1.989 2.142 . 0 0 "[ . 1 . 2]" 1
366 1 25 LEU QB 1 54 TYR H . . 4.860 4.059 2.673 4.560 . 0 0 "[ . 1 . 2]" 1
367 1 25 LEU HB2 1 26 SER H . . 4.730 4.263 4.202 4.311 . 0 0 "[ . 1 . 2]" 1
368 1 25 LEU HB2 1 53 GLY H . . 4.350 4.279 3.640 4.445 0.095 8 0 "[ . 1 . 2]" 1
369 1 25 LEU HB2 1 53 GLY QA . . 3.900 2.230 1.999 2.366 . 0 0 "[ . 1 . 2]" 1
370 1 25 LEU HB3 1 26 SER H . . 4.730 4.086 3.819 4.234 . 0 0 "[ . 1 . 2]" 1
371 1 25 LEU HB3 1 53 GLY H . . 4.350 4.138 3.798 4.425 0.075 15 0 "[ . 1 . 2]" 1
372 1 25 LEU HB3 1 53 GLY QA . . 3.900 2.589 2.396 3.568 . 0 0 "[ . 1 . 2]" 1
373 1 25 LEU QD 1 26 SER H . . 3.310 3.125 1.981 3.324 0.014 12 0 "[ . 1 . 2]" 1
374 1 25 LEU QD 1 46 ARG HA . . 4.700 4.443 3.873 4.711 0.011 8 0 "[ . 1 . 2]" 1
375 1 25 LEU QD 1 47 ASP H . . 3.870 3.453 3.301 3.590 . 0 0 "[ . 1 . 2]" 1
376 1 25 LEU QD 1 47 ASP HA . . 4.380 4.157 4.018 4.391 0.011 14 0 "[ . 1 . 2]" 1
377 1 25 LEU QD 1 47 ASP QB . . 3.110 2.246 2.081 2.505 . 0 0 "[ . 1 . 2]" 1
378 1 25 LEU QD 1 48 PRO QD . . 4.820 4.460 4.254 4.796 . 0 0 "[ . 1 . 2]" 1
379 1 25 LEU QD 1 51 GLN HB2 . . 3.250 2.527 2.068 2.887 . 0 0 "[ . 1 . 2]" 1
380 1 25 LEU QD 1 51 GLN HB3 . . 3.170 3.036 2.408 3.216 0.046 18 0 "[ . 1 . 2]" 1
381 1 25 LEU QD 1 51 GLN QG . . 4.060 3.603 3.053 4.014 . 0 0 "[ . 1 . 2]" 1
382 1 25 LEU QD 1 52 GLU H . . 4.600 3.384 2.768 3.667 . 0 0 "[ . 1 . 2]" 1
383 1 25 LEU QD 1 52 GLU HA . . 3.720 3.531 2.727 3.728 0.008 12 0 "[ . 1 . 2]" 1
384 1 25 LEU QD 1 53 GLY H . . 3.790 3.646 2.946 3.826 0.036 7 0 "[ . 1 . 2]" 1
385 1 25 LEU QD 1 53 GLY QA . . 3.550 3.176 2.254 3.363 . 0 0 "[ . 1 . 2]" 1
386 1 25 LEU MD1 1 26 SER H . . 4.390 3.570 2.022 4.400 0.010 7 0 "[ . 1 . 2]" 1
387 1 25 LEU MD1 1 47 ASP H . . 4.900 4.653 3.572 4.923 0.023 18 0 "[ . 1 . 2]" 1
388 1 25 LEU MD1 1 47 ASP HB2 . . 4.740 4.515 3.313 4.763 0.023 1 0 "[ . 1 . 2]" 1
389 1 25 LEU MD1 1 47 ASP HB3 . . 4.740 3.942 2.114 4.196 . 0 0 "[ . 1 . 2]" 1
390 1 25 LEU MD1 1 51 GLN HB2 . . 4.490 2.646 2.087 3.859 . 0 0 "[ . 1 . 2]" 1
391 1 25 LEU MD1 1 52 GLU HA . . 4.560 4.240 3.593 4.530 . 0 0 "[ . 1 . 2]" 1
392 1 25 LEU MD1 1 53 GLY H . . 4.840 4.548 4.020 4.843 0.003 13 0 "[ . 1 . 2]" 1
393 1 25 LEU MD1 1 53 GLY QA . . 4.110 3.650 3.351 4.218 0.108 15 0 "[ . 1 . 2]" 1
394 1 25 LEU MD2 1 26 SER H . . 4.390 3.693 2.723 4.410 0.020 10 0 "[ . 1 . 2]" 1
395 1 25 LEU MD2 1 47 ASP H . . 4.900 3.605 3.355 4.273 . 0 0 "[ . 1 . 2]" 1
396 1 25 LEU MD2 1 47 ASP HB2 . . 4.740 3.347 3.049 4.804 0.064 15 0 "[ . 1 . 2]" 1
397 1 25 LEU MD2 1 47 ASP HB3 . . 4.740 2.403 2.190 3.968 . 0 0 "[ . 1 . 2]" 1
398 1 25 LEU MD2 1 51 GLN HB2 . . 4.490 3.617 2.548 3.978 . 0 0 "[ . 1 . 2]" 1
399 1 25 LEU MD2 1 52 GLU HA . . 4.560 3.883 2.765 4.491 . 0 0 "[ . 1 . 2]" 1
400 1 25 LEU MD2 1 53 GLY H . . 4.840 3.904 2.983 4.597 . 0 0 "[ . 1 . 2]" 1
401 1 25 LEU MD2 1 53 GLY QA . . 4.110 3.594 2.262 4.136 0.026 7 0 "[ . 1 . 2]" 1
402 1 25 LEU HG 1 26 SER H . . 4.320 2.576 2.218 4.455 0.135 15 0 "[ . 1 . 2]" 1
403 1 25 LEU HG 1 47 ASP QB . . 5.010 4.635 3.889 5.090 0.080 7 0 "[ . 1 . 2]" 1
404 1 25 LEU HG 1 53 GLY QA . . 4.800 4.737 3.058 4.851 0.051 4 0 "[ . 1 . 2]" 1
405 1 26 SER H 1 26 SER HB2 . . 3.660 3.430 2.315 3.678 0.018 15 0 "[ . 1 . 2]" 1
406 1 26 SER H 1 26 SER QB . . 3.090 2.518 2.166 2.717 . 0 0 "[ . 1 . 2]" 1
407 1 26 SER H 1 26 SER HB3 . . 3.660 2.665 2.445 3.607 . 0 0 "[ . 1 . 2]" 1
408 1 26 SER H 1 27 VAL H . . 4.760 4.654 4.545 4.703 . 0 0 "[ . 1 . 2]" 1
409 1 26 SER HA 1 27 VAL H . . 2.780 2.253 2.141 2.346 . 0 0 "[ . 1 . 2]" 1
410 1 26 SER HA 1 27 VAL MG2 . . 3.980 3.680 3.463 3.856 . 0 0 "[ . 1 . 2]" 1
411 1 26 SER QB 1 27 VAL H . . 3.500 2.789 2.447 3.547 0.047 1 0 "[ . 1 . 2]" 1
412 1 26 SER HB2 1 27 VAL H . . 4.280 2.950 2.477 4.031 . 0 0 "[ . 1 . 2]" 1
413 1 26 SER HB3 1 27 VAL H . . 4.280 3.848 2.668 4.147 . 0 0 "[ . 1 . 2]" 1
414 1 27 VAL H 1 27 VAL MG1 . . 3.670 3.193 2.891 3.359 . 0 0 "[ . 1 . 2]" 1
415 1 27 VAL H 1 27 VAL MG2 . . 3.130 2.462 2.257 2.560 . 0 0 "[ . 1 . 2]" 1
416 1 27 VAL H 1 28 LYS QE . . 5.500 4.877 3.771 5.577 0.077 13 0 "[ . 1 . 2]" 1
417 1 27 VAL H 1 28 LYS QG . . 5.490 4.593 4.195 4.986 . 0 0 "[ . 1 . 2]" 1
418 1 27 VAL HA 1 27 VAL MG1 . . 3.010 2.368 2.328 2.419 . 0 0 "[ . 1 . 2]" 1
419 1 27 VAL HA 1 27 VAL MG2 . . 3.660 3.269 3.263 3.276 . 0 0 "[ . 1 . 2]" 1
420 1 27 VAL HA 1 28 LYS H . . 2.790 2.343 2.205 2.430 . 0 0 "[ . 1 . 2]" 1
421 1 27 VAL HA 1 28 LYS QG . . 4.230 3.394 3.172 3.637 . 0 0 "[ . 1 . 2]" 1
422 1 27 VAL HA 1 33 LEU QD . . 4.340 3.548 3.254 3.868 . 0 0 "[ . 1 . 2]" 1
423 1 27 VAL HB 1 28 LYS H . . 2.970 2.381 2.230 2.617 . 0 0 "[ . 1 . 2]" 1
424 1 27 VAL HB 1 28 LYS QG . . 4.810 4.820 4.603 4.930 0.120 3 0 "[ . 1 . 2]" 1
425 1 27 VAL HB 1 31 ASP QB . . 4.300 3.583 2.905 4.077 . 0 0 "[ . 1 . 2]" 1
426 1 27 VAL HB 1 33 LEU QD . . 3.810 2.773 2.410 3.127 . 0 0 "[ . 1 . 2]" 1
427 1 27 VAL MG1 1 28 LYS H . . 3.780 3.634 3.498 3.751 . 0 0 "[ . 1 . 2]" 1
428 1 27 VAL MG2 1 28 LYS H . . 4.000 3.529 3.411 3.733 . 0 0 "[ . 1 . 2]" 1
429 1 27 VAL MG2 1 28 LYS HA . . 4.480 4.095 3.927 4.300 . 0 0 "[ . 1 . 2]" 1
430 1 28 LYS H 1 28 LYS HB2 . . 3.860 2.691 2.444 2.954 . 0 0 "[ . 1 . 2]" 1
431 1 28 LYS H 1 28 LYS QB . . 3.380 2.638 2.410 2.868 . 0 0 "[ . 1 . 2]" 1
432 1 28 LYS H 1 28 LYS HB3 . . 3.860 3.806 3.669 3.885 0.025 3 0 "[ . 1 . 2]" 1
433 1 28 LYS H 1 28 LYS QG . . 3.610 2.933 2.625 3.240 . 0 0 "[ . 1 . 2]" 1
434 1 28 LYS H 1 29 GLN H . . 4.670 4.468 4.410 4.516 . 0 0 "[ . 1 . 2]" 1
435 1 28 LYS H 1 31 ASP H . . 4.140 3.904 3.509 4.159 0.019 8 0 "[ . 1 . 2]" 1
436 1 28 LYS H 1 31 ASP HB2 . . 4.630 2.990 2.150 3.931 . 0 0 "[ . 1 . 2]" 1
437 1 28 LYS H 1 31 ASP QB . . 3.790 2.329 2.003 2.639 . 0 0 "[ . 1 . 2]" 1
438 1 28 LYS H 1 31 ASP HB3 . . 4.630 2.714 2.137 3.949 . 0 0 "[ . 1 . 2]" 1
439 1 28 LYS HA 1 28 LYS HD2 . . 4.730 3.912 2.578 4.701 . 0 0 "[ . 1 . 2]" 1
440 1 28 LYS HA 1 28 LYS QD . . 3.910 3.128 2.212 4.000 0.090 8 0 "[ . 1 . 2]" 1
441 1 28 LYS HA 1 28 LYS HD3 . . 4.730 3.492 2.237 4.709 . 0 0 "[ . 1 . 2]" 1
442 1 28 LYS HA 1 28 LYS QG . . 3.470 2.894 2.479 3.272 . 0 0 "[ . 1 . 2]" 1
443 1 28 LYS HA 1 29 GLN H . . 2.760 2.281 2.190 2.376 . 0 0 "[ . 1 . 2]" 1
444 1 28 LYS HA 1 29 GLN HA . . 4.410 4.357 4.310 4.398 . 0 0 "[ . 1 . 2]" 1
445 1 28 LYS HA 1 29 GLN HB2 . . 5.040 4.425 4.264 4.617 . 0 0 "[ . 1 . 2]" 1
446 1 28 LYS HA 1 29 GLN QB . . 4.340 4.061 3.993 4.168 . 0 0 "[ . 1 . 2]" 1
447 1 28 LYS HA 1 29 GLN HB3 . . 5.040 4.738 4.568 4.875 . 0 0 "[ . 1 . 2]" 1
448 1 28 LYS QB 1 29 GLN H . . 3.160 2.639 2.488 3.019 . 0 0 "[ . 1 . 2]" 1
449 1 28 LYS QB 1 30 ARG H . . 4.190 2.557 2.427 2.766 . 0 0 "[ . 1 . 2]" 1
450 1 28 LYS QB 1 31 ASP H . . 4.390 3.173 2.892 3.497 . 0 0 "[ . 1 . 2]" 1
451 1 28 LYS QG 1 29 GLN H . . 4.370 4.381 4.102 4.486 0.116 15 0 "[ . 1 . 2]" 1
452 1 29 GLN H 1 29 GLN HB2 . . 3.380 2.435 2.270 2.589 . 0 0 "[ . 1 . 2]" 1
453 1 29 GLN H 1 29 GLN QB . . 2.910 2.176 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
454 1 29 GLN H 1 29 GLN HB3 . . 3.380 2.467 2.338 2.641 . 0 0 "[ . 1 . 2]" 1
455 1 29 GLN H 1 29 GLN HG2 . . 4.800 4.466 4.383 4.544 . 0 0 "[ . 1 . 2]" 1
456 1 29 GLN H 1 29 GLN HG3 . . 5.170 4.460 4.321 4.530 . 0 0 "[ . 1 . 2]" 1
457 1 29 GLN H 1 30 ARG H . . 3.780 2.824 2.768 2.891 . 0 0 "[ . 1 . 2]" 1
458 1 29 GLN H 1 30 ARG HA . . 5.470 5.503 5.471 5.561 0.091 1 0 "[ . 1 . 2]" 1
459 1 29 GLN H 1 31 ASP H . . 5.370 4.483 4.301 4.716 . 0 0 "[ . 1 . 2]" 1
460 1 29 GLN HA 1 30 ARG QG . . 5.120 4.776 4.353 5.173 0.053 16 0 "[ . 1 . 2]" 1
461 1 29 GLN HA 1 31 ASP H . . 3.960 3.982 3.882 4.030 0.070 20 0 "[ . 1 . 2]" 1
462 1 29 GLN HG2 1 30 ARG H . . 5.260 4.408 4.031 4.932 . 0 0 "[ . 1 . 2]" 1
463 1 29 GLN HG3 1 30 ARG H . . 5.500 5.075 4.845 5.528 0.028 8 0 "[ . 1 . 2]" 1
464 1 30 ARG H 1 30 ARG QG . . 4.180 2.619 2.009 3.582 . 0 0 "[ . 1 . 2]" 1
465 1 30 ARG H 1 31 ASP H . . 3.900 2.474 2.295 2.672 . 0 0 "[ . 1 . 2]" 1
466 1 30 ARG HA 1 30 ARG QG . . 3.510 2.817 2.327 3.386 . 0 0 "[ . 1 . 2]" 1
467 1 30 ARG QB 1 30 ARG QD . . 3.100 2.349 2.117 2.783 . 0 0 "[ . 1 . 2]" 1
468 1 31 ASP H 1 31 ASP HB2 . . 3.830 2.760 2.428 3.086 . 0 0 "[ . 1 . 2]" 1
469 1 31 ASP H 1 31 ASP QB . . 3.200 2.398 2.280 2.531 . 0 0 "[ . 1 . 2]" 1
470 1 31 ASP H 1 31 ASP HB3 . . 3.830 2.807 2.413 3.693 . 0 0 "[ . 1 . 2]" 1
471 1 31 ASP HA 1 32 VAL H . . 3.010 2.168 2.104 2.307 . 0 0 "[ . 1 . 2]" 1
472 1 31 ASP HA 1 32 VAL QG . . 4.380 3.658 3.352 3.920 . 0 0 "[ . 1 . 2]" 1
473 1 31 ASP QB 1 32 VAL H . . 4.020 3.684 3.118 3.972 . 0 0 "[ . 1 . 2]" 1
474 1 31 ASP HB2 1 32 VAL H . . 4.760 4.328 4.100 4.571 . 0 0 "[ . 1 . 2]" 1
475 1 31 ASP HB3 1 32 VAL H . . 4.760 4.028 3.203 4.497 . 0 0 "[ . 1 . 2]" 1
476 1 32 VAL H 1 32 VAL HB . . 3.420 2.867 2.598 3.378 . 0 0 "[ . 1 . 2]" 1
477 1 32 VAL H 1 32 VAL MG1 . . 4.330 2.604 1.899 3.977 . 0 0 "[ . 1 . 2]" 1
478 1 32 VAL H 1 32 VAL QG . . 3.450 2.191 1.894 2.530 . 0 0 "[ . 1 . 2]" 1
479 1 32 VAL H 1 32 VAL MG2 . . 4.330 3.483 2.138 3.997 . 0 0 "[ . 1 . 2]" 1
480 1 32 VAL HA 1 32 VAL MG1 . . 3.590 3.038 2.240 3.292 . 0 0 "[ . 1 . 2]" 1
481 1 32 VAL HA 1 32 VAL MG2 . . 3.590 2.401 2.256 2.701 . 0 0 "[ . 1 . 2]" 1
482 1 32 VAL HA 1 33 LEU H . . 3.200 2.183 2.099 2.250 . 0 0 "[ . 1 . 2]" 1
483 1 32 VAL HB 1 33 LEU H . . 4.780 4.176 3.950 4.419 . 0 0 "[ . 1 . 2]" 1
484 1 32 VAL QG 1 33 LEU H . . 3.670 2.581 2.320 3.202 . 0 0 "[ . 1 . 2]" 1
485 1 32 VAL QG 1 33 LEU HA . . 4.230 3.785 3.529 4.259 0.029 7 0 "[ . 1 . 2]" 1
486 1 32 VAL QG 1 63 TYR QB . . 4.350 3.362 2.712 4.320 . 0 0 "[ . 1 . 2]" 1
487 1 32 VAL QG 1 63 TYR QD . . 3.560 2.978 2.345 3.479 . 0 0 "[ . 1 . 2]" 1
488 1 32 VAL QG 1 63 TYR QE . . 3.950 3.080 2.077 3.638 . 0 0 "[ . 1 . 2]" 1
489 1 32 VAL MG1 1 63 TYR QE . . 4.650 3.918 2.388 4.462 . 0 0 "[ . 1 . 2]" 1
490 1 32 VAL MG2 1 63 TYR QE . . 4.650 3.320 2.088 4.196 . 0 0 "[ . 1 . 2]" 1
491 1 33 LEU H 1 33 LEU HB2 . . 3.510 2.674 2.297 2.924 . 0 0 "[ . 1 . 2]" 1
492 1 33 LEU HA 1 33 LEU QD . . 3.240 2.496 2.048 3.211 . 0 0 "[ . 1 . 2]" 1
493 1 33 LEU HA 1 45 VAL HB . . 4.620 4.367 3.902 4.639 0.019 13 0 "[ . 1 . 2]" 1
494 1 33 LEU HB2 1 34 GLU H . . 4.430 3.772 3.495 4.176 . 0 0 "[ . 1 . 2]" 1
495 1 33 LEU HB2 1 45 VAL HB . . 3.840 3.197 2.489 3.895 0.055 7 0 "[ . 1 . 2]" 1
496 1 33 LEU HB3 1 34 GLU H . . 3.510 2.673 2.405 2.975 . 0 0 "[ . 1 . 2]" 1
497 1 33 LEU HB3 1 45 VAL HB . . 3.360 2.238 2.181 2.424 . 0 0 "[ . 1 . 2]" 1
498 1 33 LEU HB3 1 46 ARG H . . 4.570 3.577 2.827 4.185 . 0 0 "[ . 1 . 2]" 1
499 1 33 LEU QD 1 34 GLU H . . 3.960 3.551 2.873 3.986 0.026 6 0 "[ . 1 . 2]" 1
500 1 33 LEU QD 1 46 ARG H . . 4.620 4.046 3.386 4.444 . 0 0 "[ . 1 . 2]" 1
501 1 33 LEU QD 1 47 ASP H . . 4.580 3.604 3.026 4.077 . 0 0 "[ . 1 . 2]" 1
502 1 33 LEU QD 1 47 ASP QB . . 3.680 2.640 2.231 3.029 . 0 0 "[ . 1 . 2]" 1
503 1 33 LEU QD 1 48 PRO QD . . 3.570 2.783 2.314 3.447 . 0 0 "[ . 1 . 2]" 1
504 1 34 GLU H 1 34 GLU QB . . 3.570 2.399 2.316 2.505 . 0 0 "[ . 1 . 2]" 1
505 1 34 GLU H 1 34 GLU QG . . 4.300 3.829 2.446 4.202 . 0 0 "[ . 1 . 2]" 1
506 1 34 GLU H 1 45 VAL HA . . 4.440 4.459 4.328 4.517 0.077 16 0 "[ . 1 . 2]" 1
507 1 34 GLU H 1 45 VAL HB . . 4.220 3.432 3.136 3.941 . 0 0 "[ . 1 . 2]" 1
508 1 34 GLU H 1 45 VAL QG . . 4.370 4.003 3.759 4.372 0.002 8 0 "[ . 1 . 2]" 1
509 1 34 GLU H 1 46 ARG H . . 3.520 2.838 2.604 3.144 . 0 0 "[ . 1 . 2]" 1
510 1 34 GLU H 1 46 ARG QB . . 4.460 3.476 2.816 3.854 . 0 0 "[ . 1 . 2]" 1
511 1 34 GLU H 1 47 ASP H . . 5.500 5.412 5.139 5.541 0.041 12 0 "[ . 1 . 2]" 1
512 1 34 GLU HA 1 34 GLU QG . . 3.370 2.446 2.239 3.275 . 0 0 "[ . 1 . 2]" 1
513 1 34 GLU HA 1 35 VAL HB . . 4.700 4.665 4.583 4.746 0.046 7 0 "[ . 1 . 2]" 1
514 1 34 GLU HA 1 35 VAL QG . . 3.890 3.597 3.325 3.828 . 0 0 "[ . 1 . 2]" 1
515 1 34 GLU HA 1 45 VAL HA . . 5.330 5.381 5.291 5.451 0.121 13 0 "[ . 1 . 2]" 1
516 1 34 GLU QB 1 35 VAL H . . 4.110 3.637 2.275 3.998 . 0 0 "[ . 1 . 2]" 1
517 1 34 GLU QB 1 46 ARG H . . 4.330 3.238 2.427 3.691 . 0 0 "[ . 1 . 2]" 1
518 1 34 GLU QG 1 35 VAL H . . 3.900 3.234 2.762 3.921 0.021 13 0 "[ . 1 . 2]" 1
519 1 35 VAL H 1 35 VAL HB . . 3.460 2.638 2.513 3.157 . 0 0 "[ . 1 . 2]" 1
520 1 35 VAL H 1 35 VAL MG1 . . 4.520 2.952 1.995 3.938 . 0 0 "[ . 1 . 2]" 1
521 1 35 VAL H 1 35 VAL QG . . 3.290 2.159 1.988 2.746 . 0 0 "[ . 1 . 2]" 1
522 1 35 VAL H 1 35 VAL MG2 . . 4.520 3.051 2.095 3.908 . 0 0 "[ . 1 . 2]" 1
523 1 35 VAL HA 1 35 VAL MG1 . . 3.330 2.823 2.348 3.284 . 0 0 "[ . 1 . 2]" 1
524 1 35 VAL HA 1 35 VAL MG2 . . 3.330 2.399 2.333 2.460 . 0 0 "[ . 1 . 2]" 1
525 1 35 VAL HA 1 36 LEU H . . 2.910 2.104 2.041 2.138 . 0 0 "[ . 1 . 2]" 1
526 1 35 VAL HA 1 36 LEU HG . . 4.460 3.603 3.436 3.769 . 0 0 "[ . 1 . 2]" 1
527 1 35 VAL HA 1 37 ASP H . . 4.030 3.828 3.688 3.970 . 0 0 "[ . 1 . 2]" 1
528 1 35 VAL HA 1 45 VAL HA . . 3.320 2.692 2.210 2.918 . 0 0 "[ . 1 . 2]" 1
529 1 35 VAL HA 1 45 VAL HB . . 4.250 3.918 3.323 4.287 0.037 20 0 "[ . 1 . 2]" 1
530 1 35 VAL HA 1 45 VAL QG . . 3.070 2.233 2.065 2.869 . 0 0 "[ . 1 . 2]" 1
531 1 35 VAL HA 1 46 ARG H . . 4.490 4.198 3.808 4.400 . 0 0 "[ . 1 . 2]" 1
532 1 35 VAL QG 1 36 LEU H . . 3.510 2.548 2.384 2.768 . 0 0 "[ . 1 . 2]" 1
533 1 35 VAL QG 1 37 ASP H . . 3.460 2.726 2.403 3.008 . 0 0 "[ . 1 . 2]" 1
534 1 35 VAL QG 1 37 ASP HA . . 4.250 3.867 3.702 4.149 . 0 0 "[ . 1 . 2]" 1
535 1 35 VAL QG 1 37 ASP QB . . 4.550 4.376 4.156 4.563 0.013 16 0 "[ . 1 . 2]" 1
536 1 35 VAL QG 1 38 ASP H . . 4.280 4.082 3.817 4.259 . 0 0 "[ . 1 . 2]" 1
537 1 35 VAL QG 1 38 ASP HA . . 4.270 3.765 3.490 4.059 . 0 0 "[ . 1 . 2]" 1
538 1 35 VAL QG 1 38 ASP QB . . 3.240 2.456 2.199 2.734 . 0 0 "[ . 1 . 2]" 1
539 1 35 VAL QG 1 43 TRP HB2 . . 4.330 4.143 3.803 4.352 0.022 20 0 "[ . 1 . 2]" 1
540 1 35 VAL QG 1 43 TRP HB3 . . 4.290 2.831 2.382 3.165 . 0 0 "[ . 1 . 2]" 1
541 1 35 VAL QG 1 43 TRP HE3 . . 3.450 2.332 2.132 2.486 . 0 0 "[ . 1 . 2]" 1
542 1 35 VAL QG 1 43 TRP HZ3 . . 4.940 2.516 2.205 3.019 . 0 0 "[ . 1 . 2]" 1
543 1 35 VAL QG 1 44 LYS H . . 4.530 3.674 3.042 4.049 . 0 0 "[ . 1 . 2]" 1
544 1 35 VAL MG1 1 36 LEU H . . 4.260 3.334 2.572 4.128 . 0 0 "[ . 1 . 2]" 1
545 1 35 VAL MG1 1 43 TRP HE3 . . 4.000 3.268 2.561 4.005 0.005 12 0 "[ . 1 . 2]" 1
546 1 35 VAL MG2 1 36 LEU H . . 4.260 3.255 2.404 4.124 . 0 0 "[ . 1 . 2]" 1
547 1 35 VAL MG2 1 43 TRP HE3 . . 4.000 2.426 2.224 2.615 . 0 0 "[ . 1 . 2]" 1
548 1 36 LEU H 1 36 LEU HB2 . . 4.130 2.575 2.389 3.128 . 0 0 "[ . 1 . 2]" 1
549 1 36 LEU H 1 36 LEU QB . . 3.580 2.529 2.359 3.006 . 0 0 "[ . 1 . 2]" 1
550 1 36 LEU H 1 36 LEU HB3 . . 4.130 3.716 3.623 3.892 . 0 0 "[ . 1 . 2]" 1
551 1 36 LEU H 1 36 LEU HG . . 3.800 2.742 2.472 3.036 . 0 0 "[ . 1 . 2]" 1
552 1 36 LEU H 1 37 ASP H . . 2.980 2.042 1.941 2.210 . 0 0 "[ . 1 . 2]" 1
553 1 36 LEU H 1 45 VAL HA . . 3.450 2.982 2.678 3.183 . 0 0 "[ . 1 . 2]" 1
554 1 36 LEU H 1 45 VAL QG . . 4.070 3.462 3.223 3.790 . 0 0 "[ . 1 . 2]" 1
555 1 36 LEU H 1 46 ARG H . . 5.230 4.767 4.465 5.082 . 0 0 "[ . 1 . 2]" 1
556 1 36 LEU HA 1 36 LEU MD1 . . 4.200 3.906 3.749 3.947 . 0 0 "[ . 1 . 2]" 1
557 1 36 LEU HA 1 36 LEU HG . . 3.950 3.219 2.977 3.400 . 0 0 "[ . 1 . 2]" 1
558 1 36 LEU QB 1 37 ASP H . . 3.650 2.704 2.494 3.300 . 0 0 "[ . 1 . 2]" 1
559 1 36 LEU QB 1 37 ASP HA . . 4.940 4.424 4.279 4.532 . 0 0 "[ . 1 . 2]" 1
560 1 36 LEU QB 1 37 ASP QB . . 4.100 3.483 3.193 3.855 . 0 0 "[ . 1 . 2]" 1
561 1 36 LEU QB 1 44 LYS QE . . 3.480 2.849 2.038 3.431 . 0 0 "[ . 1 . 2]" 1
562 1 36 LEU HB2 1 37 ASP H . . 4.480 2.763 2.536 3.410 . 0 0 "[ . 1 . 2]" 1
563 1 36 LEU HB3 1 37 ASP H . . 4.480 3.853 3.695 4.400 . 0 0 "[ . 1 . 2]" 1
564 1 36 LEU MD1 1 44 LYS HD2 . . 4.520 3.820 2.141 4.545 0.025 14 0 "[ . 1 . 2]" 1
565 1 36 LEU MD1 1 44 LYS QD . . 3.910 3.228 2.114 3.883 . 0 0 "[ . 1 . 2]" 1
566 1 36 LEU MD1 1 44 LYS HD3 . . 4.520 3.758 2.708 4.572 0.052 13 0 "[ . 1 . 2]" 1
567 1 36 LEU MD1 1 44 LYS HE2 . . 4.060 2.799 2.056 4.106 0.046 4 0 "[ . 1 . 2]" 1
568 1 36 LEU MD1 1 44 LYS QE . . 3.550 2.286 1.986 3.502 . 0 0 "[ . 1 . 2]" 1
569 1 36 LEU MD1 1 44 LYS HE3 . . 4.060 2.934 2.020 3.803 . 0 0 "[ . 1 . 2]" 1
570 1 36 LEU MD1 1 45 VAL H . . 4.390 3.818 3.590 4.368 . 0 0 "[ . 1 . 2]" 1
571 1 36 LEU MD1 1 45 VAL HA . . 4.150 3.246 2.268 3.408 . 0 0 "[ . 1 . 2]" 1
572 1 36 LEU MD1 1 45 VAL HB . . 4.970 4.952 4.133 5.038 0.068 13 0 "[ . 1 . 2]" 1
573 1 36 LEU MD1 1 46 ARG H . . 4.310 3.391 2.580 3.693 . 0 0 "[ . 1 . 2]" 1
574 1 36 LEU MD1 1 46 ARG HA . . 4.920 3.416 3.084 3.679 . 0 0 "[ . 1 . 2]" 1
575 1 36 LEU MD1 1 46 ARG HB2 . . 4.290 2.110 2.034 2.192 . 0 0 "[ . 1 . 2]" 1
576 1 36 LEU MD1 1 46 ARG QB . . 3.470 2.089 1.998 2.179 . 0 0 "[ . 1 . 2]" 1
577 1 36 LEU MD1 1 46 ARG HB3 . . 4.290 3.462 2.841 3.790 . 0 0 "[ . 1 . 2]" 1
578 1 36 LEU MD1 1 46 ARG HE . . 4.520 3.135 2.604 4.509 . 0 0 "[ . 1 . 2]" 1
579 1 36 LEU MD1 1 52 GLU HB2 . . 4.710 4.408 3.907 4.666 . 0 0 "[ . 1 . 2]" 1
580 1 36 LEU MD1 1 52 GLU QB . . 3.830 3.267 2.668 3.643 . 0 0 "[ . 1 . 2]" 1
581 1 36 LEU MD1 1 52 GLU HB3 . . 4.710 3.371 2.715 3.803 . 0 0 "[ . 1 . 2]" 1
582 1 36 LEU MD1 1 52 GLU HG2 . . 4.180 2.346 2.140 2.599 . 0 0 "[ . 1 . 2]" 1
583 1 36 LEU MD1 1 52 GLU QG . . 3.350 2.314 2.086 2.563 . 0 0 "[ . 1 . 2]" 1
584 1 36 LEU MD1 1 52 GLU HG3 . . 4.180 3.576 2.885 3.905 . 0 0 "[ . 1 . 2]" 1
585 1 36 LEU MD2 1 46 ARG QB . . 4.710 2.603 2.129 3.157 . 0 0 "[ . 1 . 2]" 1
586 1 36 LEU HG 1 37 ASP H . . 5.040 4.317 4.021 4.633 . 0 0 "[ . 1 . 2]" 1
587 1 36 LEU HG 1 45 VAL HA . . 3.670 2.742 2.237 3.749 0.079 10 0 "[ . 1 . 2]" 1
588 1 36 LEU HG 1 46 ARG H . . 4.020 3.233 2.818 3.892 . 0 0 "[ . 1 . 2]" 1
589 1 37 ASP H 1 37 ASP QB . . 3.460 2.737 2.573 2.823 . 0 0 "[ . 1 . 2]" 1
590 1 37 ASP H 1 38 ASP H . . 4.460 4.251 4.156 4.323 . 0 0 "[ . 1 . 2]" 1
591 1 37 ASP H 1 44 LYS H . . 3.720 2.922 2.613 3.114 . 0 0 "[ . 1 . 2]" 1
592 1 37 ASP H 1 44 LYS HB2 . . 4.200 4.094 3.774 4.245 0.045 7 0 "[ . 1 . 2]" 1
593 1 37 ASP H 1 44 LYS HB3 . . 3.650 2.714 2.477 2.986 . 0 0 "[ . 1 . 2]" 1
594 1 37 ASP H 1 45 VAL HA . . 4.690 4.619 4.516 4.743 0.053 20 0 "[ . 1 . 2]" 1
595 1 37 ASP H 1 45 VAL QG . . 4.830 4.445 4.266 4.655 . 0 0 "[ . 1 . 2]" 1
596 1 37 ASP HA 1 38 ASP H . . 2.730 2.154 2.107 2.193 . 0 0 "[ . 1 . 2]" 1
597 1 37 ASP HA 1 39 SER H . . 4.060 3.795 3.530 3.974 . 0 0 "[ . 1 . 2]" 1
598 1 37 ASP HA 1 44 LYS HB3 . . 4.820 4.620 4.416 4.826 0.006 10 0 "[ . 1 . 2]" 1
599 1 37 ASP QB 1 38 ASP H . . 4.010 3.458 2.821 3.740 . 0 0 "[ . 1 . 2]" 1
600 1 37 ASP QB 1 39 SER H . . 4.620 3.725 2.925 4.185 . 0 0 "[ . 1 . 2]" 1
601 1 37 ASP QB 1 43 TRP HA . . 4.500 4.095 3.061 4.510 0.010 3 0 "[ . 1 . 2]" 1
602 1 37 ASP QB 1 44 LYS H . . 3.640 2.815 2.040 3.236 . 0 0 "[ . 1 . 2]" 1
603 1 37 ASP QB 1 44 LYS HB2 . . 3.490 2.616 2.315 2.923 . 0 0 "[ . 1 . 2]" 1
604 1 37 ASP QB 1 44 LYS HB3 . . 3.340 2.379 2.220 2.601 . 0 0 "[ . 1 . 2]" 1
605 1 37 ASP QB 1 44 LYS QG . . 5.290 4.112 3.988 4.289 . 0 0 "[ . 1 . 2]" 1
606 1 37 ASP QB 1 54 TYR QE . . 3.930 3.511 2.673 3.781 . 0 0 "[ . 1 . 2]" 1
607 1 38 ASP H 1 38 ASP HB2 . . 4.120 3.834 3.797 3.853 . 0 0 "[ . 1 . 2]" 1
608 1 38 ASP H 1 38 ASP QB . . 3.560 3.077 2.927 3.167 . 0 0 "[ . 1 . 2]" 1
609 1 38 ASP H 1 38 ASP HB3 . . 4.120 3.243 3.039 3.372 . 0 0 "[ . 1 . 2]" 1
610 1 38 ASP H 1 39 SER HA . . 4.660 4.330 4.194 4.564 . 0 0 "[ . 1 . 2]" 1
611 1 38 ASP H 1 39 SER QB . . 4.480 3.730 3.469 4.359 . 0 0 "[ . 1 . 2]" 1
612 1 38 ASP HA 1 40 ARG H . . 4.230 3.625 3.393 4.189 . 0 0 "[ . 1 . 2]" 1
613 1 38 ASP HA 1 43 TRP HA . . 4.150 3.068 2.638 3.941 . 0 0 "[ . 1 . 2]" 1
614 1 38 ASP HA 1 43 TRP HD1 . . 4.140 3.184 2.995 3.620 . 0 0 "[ . 1 . 2]" 1
615 1 38 ASP HA 1 43 TRP HE1 . . 4.180 3.422 2.958 3.694 . 0 0 "[ . 1 . 2]" 1
616 1 38 ASP HA 1 43 TRP HZ2 . . 5.340 4.800 3.747 5.255 . 0 0 "[ . 1 . 2]" 1
617 1 38 ASP QB 1 43 TRP HZ2 . . 3.960 3.105 2.886 3.338 . 0 0 "[ . 1 . 2]" 1
618 1 38 ASP HB2 1 43 TRP HH2 . . 4.760 4.315 3.504 4.659 . 0 0 "[ . 1 . 2]" 1
619 1 38 ASP HB2 1 43 TRP HZ2 . . 4.690 3.186 2.954 3.453 . 0 0 "[ . 1 . 2]" 1
620 1 38 ASP HB3 1 43 TRP HH2 . . 4.760 4.650 4.107 4.797 0.037 11 0 "[ . 1 . 2]" 1
621 1 38 ASP HB3 1 43 TRP HZ2 . . 4.690 4.305 4.060 4.615 . 0 0 "[ . 1 . 2]" 1
622 1 39 SER H 1 39 SER QB . . 3.160 2.282 2.168 2.594 . 0 0 "[ . 1 . 2]" 1
623 1 39 SER QB 1 40 ARG H . . 4.000 3.064 2.627 3.681 . 0 0 "[ . 1 . 2]" 1
624 1 40 ARG H 1 40 ARG HB2 . . 3.810 2.769 2.496 3.743 . 0 0 "[ . 1 . 2]" 1
625 1 40 ARG H 1 40 ARG QB . . 3.160 2.686 2.460 3.139 . 0 0 "[ . 1 . 2]" 1
626 1 40 ARG H 1 40 ARG HB3 . . 3.810 3.802 3.370 3.880 0.070 14 0 "[ . 1 . 2]" 1
627 1 40 ARG H 1 40 ARG HG2 . . 4.010 3.723 2.427 4.068 0.058 9 0 "[ . 1 . 2]" 1
628 1 40 ARG H 1 40 ARG QG . . 3.400 2.974 2.189 3.285 . 0 0 "[ . 1 . 2]" 1
629 1 40 ARG H 1 40 ARG HG3 . . 4.010 3.280 2.490 4.121 0.111 2 0 "[ . 1 . 2]" 1
630 1 40 ARG H 1 42 TRP H . . 4.900 4.691 4.406 4.900 . 0 0 "[ . 1 . 2]" 1
631 1 40 ARG H 1 43 TRP HD1 . . 4.420 4.089 3.585 4.341 . 0 0 "[ . 1 . 2]" 1
632 1 40 ARG H 1 43 TRP HE1 . . 5.270 4.716 3.932 5.160 . 0 0 "[ . 1 . 2]" 1
633 1 40 ARG HA 1 40 ARG HG2 . . 3.830 2.705 2.400 3.770 . 0 0 "[ . 1 . 2]" 1
634 1 40 ARG HA 1 40 ARG QG . . 3.330 2.600 2.347 3.362 0.032 12 0 "[ . 1 . 2]" 1
635 1 40 ARG HA 1 40 ARG HG3 . . 3.830 3.426 3.180 3.858 0.028 11 0 "[ . 1 . 2]" 1
636 1 40 ARG HA 1 42 TRP H . . 4.780 4.440 4.084 4.599 . 0 0 "[ . 1 . 2]" 1
637 1 40 ARG HA 1 43 TRP HE1 . . 5.500 5.508 5.363 5.564 0.064 17 0 "[ . 1 . 2]" 1
638 1 40 ARG QB 1 40 ARG QD . . 3.140 2.282 2.101 2.498 . 0 0 "[ . 1 . 2]" 1
639 1 40 ARG HB2 1 40 ARG HD2 . . 4.040 3.289 2.469 3.828 . 0 0 "[ . 1 . 2]" 1
640 1 40 ARG HB2 1 40 ARG HD3 . . 4.040 3.217 2.474 4.092 0.052 11 0 "[ . 1 . 2]" 1
641 1 40 ARG HB2 1 42 TRP H . . 3.850 3.031 2.307 3.276 . 0 0 "[ . 1 . 2]" 1
642 1 40 ARG HB3 1 40 ARG HD2 . . 4.040 3.052 2.360 3.840 . 0 0 "[ . 1 . 2]" 1
643 1 40 ARG HB3 1 40 ARG HD3 . . 4.040 2.966 2.357 3.739 . 0 0 "[ . 1 . 2]" 1
644 1 40 ARG HB3 1 42 TRP H . . 3.850 3.074 2.690 3.977 0.127 12 0 "[ . 1 . 2]" 1
645 1 41 LYS HA 1 41 LYS QD . . 4.130 3.907 2.168 4.278 0.148 13 0 "[ . 1 . 2]" 1
646 1 41 LYS HA 1 41 LYS QG . . 3.520 3.010 2.370 3.536 0.016 14 0 "[ . 1 . 2]" 1
647 1 41 LYS HA 1 43 TRP HE1 . . 4.170 3.927 3.742 4.196 0.026 20 0 "[ . 1 . 2]" 1
648 1 41 LYS HA 1 57 TYR HB2 . . 5.500 5.138 4.813 5.518 0.018 12 0 "[ . 1 . 2]" 1
649 1 41 LYS HA 1 57 TYR HB3 . . 4.590 3.672 3.312 4.073 . 0 0 "[ . 1 . 2]" 1
650 1 41 LYS HA 1 57 TYR QD . . 3.700 2.465 2.145 3.000 . 0 0 "[ . 1 . 2]" 1
651 1 41 LYS HA 1 57 TYR QE . . 4.200 3.373 2.810 3.850 . 0 0 "[ . 1 . 2]" 1
652 1 41 LYS QB 1 42 TRP H . . 4.250 3.161 2.569 3.704 . 0 0 "[ . 1 . 2]" 1
653 1 41 LYS QB 1 57 TYR QD . . 3.580 2.889 2.214 3.613 0.033 11 0 "[ . 1 . 2]" 1
654 1 41 LYS QB 1 57 TYR QE . . 3.750 2.888 2.461 3.400 . 0 0 "[ . 1 . 2]" 1
655 1 41 LYS HB2 1 42 TRP H . . 4.840 3.628 2.690 4.086 . 0 0 "[ . 1 . 2]" 1
656 1 41 LYS HB3 1 42 TRP H . . 4.840 3.766 2.605 4.266 . 0 0 "[ . 1 . 2]" 1
657 1 41 LYS QG 1 57 TYR QD . . 5.040 3.849 2.200 4.832 . 0 0 "[ . 1 . 2]" 1
658 1 42 TRP H 1 42 TRP HB2 . . 4.160 2.421 2.385 2.497 . 0 0 "[ . 1 . 2]" 1
659 1 42 TRP H 1 42 TRP HB3 . . 3.680 3.619 3.582 3.687 0.007 12 0 "[ . 1 . 2]" 1
660 1 42 TRP H 1 43 TRP H . . 4.300 4.140 3.978 4.297 . 0 0 "[ . 1 . 2]" 1
661 1 42 TRP HA 1 42 TRP HD1 . . 4.960 4.108 3.994 4.275 . 0 0 "[ . 1 . 2]" 1
662 1 42 TRP HA 1 42 TRP HE3 . . 4.440 3.272 3.062 3.462 . 0 0 "[ . 1 . 2]" 1
663 1 42 TRP HA 1 43 TRP H . . 2.940 2.223 2.172 2.270 . 0 0 "[ . 1 . 2]" 1
664 1 42 TRP HA 1 55 VAL H . . 4.560 3.706 3.531 3.878 . 0 0 "[ . 1 . 2]" 1
665 1 42 TRP HA 1 56 PRO HA . . 3.420 2.647 2.489 2.792 . 0 0 "[ . 1 . 2]" 1
666 1 42 TRP HA 1 56 PRO HB3 . . 5.030 4.506 4.390 4.695 . 0 0 "[ . 1 . 2]" 1
667 1 42 TRP HA 1 57 TYR H . . 3.810 3.650 3.396 3.827 0.017 19 0 "[ . 1 . 2]" 1
668 1 42 TRP HB2 1 43 TRP H . . 4.570 4.551 4.495 4.581 0.011 12 0 "[ . 1 . 2]" 1
669 1 42 TRP HB2 1 54 TYR QD . . 4.150 3.637 2.947 3.942 . 0 0 "[ . 1 . 2]" 1
670 1 42 TRP HB2 1 55 VAL H . . 5.230 5.269 5.243 5.290 0.060 10 0 "[ . 1 . 2]" 1
671 1 42 TRP HB3 1 42 TRP HE3 . . 3.900 2.613 2.560 2.673 . 0 0 "[ . 1 . 2]" 1
672 1 42 TRP HB3 1 42 TRP HZ3 . . 5.190 5.044 4.994 5.098 . 0 0 "[ . 1 . 2]" 1
673 1 42 TRP HB3 1 43 TRP H . . 4.610 3.985 3.864 4.072 . 0 0 "[ . 1 . 2]" 1
674 1 42 TRP HB3 1 54 TYR QD . . 4.190 2.800 2.318 3.077 . 0 0 "[ . 1 . 2]" 1
675 1 42 TRP HE3 1 54 TYR HA . . 5.090 4.098 4.000 4.439 . 0 0 "[ . 1 . 2]" 1
676 1 42 TRP HE3 1 54 TYR HB2 . . 3.790 3.540 3.363 3.803 0.013 11 0 "[ . 1 . 2]" 1
677 1 42 TRP HE3 1 54 TYR HB3 . . 3.540 2.460 2.302 2.670 . 0 0 "[ . 1 . 2]" 1
678 1 42 TRP HE3 1 55 VAL H . . 4.070 3.116 2.977 3.319 . 0 0 "[ . 1 . 2]" 1
679 1 42 TRP HE3 1 55 VAL HA . . 3.990 2.687 2.573 2.822 . 0 0 "[ . 1 . 2]" 1
680 1 42 TRP HE3 1 56 PRO HA . . 4.890 4.275 4.104 4.505 . 0 0 "[ . 1 . 2]" 1
681 1 42 TRP HE3 1 56 PRO HD2 . . 5.050 4.622 4.531 4.781 . 0 0 "[ . 1 . 2]" 1
682 1 42 TRP HE3 1 56 PRO QD . . 4.380 3.402 3.268 3.550 . 0 0 "[ . 1 . 2]" 1
683 1 42 TRP HE3 1 56 PRO HD3 . . 5.050 3.502 3.352 3.669 . 0 0 "[ . 1 . 2]" 1
684 1 42 TRP HH2 1 56 PRO HD2 . . 5.260 5.048 4.839 5.211 . 0 0 "[ . 1 . 2]" 1
685 1 42 TRP HH2 1 56 PRO QD . . 4.460 3.411 3.260 3.527 . 0 0 "[ . 1 . 2]" 1
686 1 42 TRP HH2 1 56 PRO HD3 . . 5.260 3.468 3.314 3.590 . 0 0 "[ . 1 . 2]" 1
687 1 42 TRP HH2 1 56 PRO HG3 . . 4.710 4.429 4.106 4.657 . 0 0 "[ . 1 . 2]" 1
688 1 42 TRP HZ2 1 56 PRO HG3 . . 5.500 5.342 5.008 5.521 0.021 10 0 "[ . 1 . 2]" 1
689 1 42 TRP HZ3 1 54 TYR HB3 . . 4.630 4.461 4.266 4.705 0.075 11 0 "[ . 1 . 2]" 1
690 1 42 TRP HZ3 1 55 VAL HA . . 3.800 2.545 2.413 2.698 . 0 0 "[ . 1 . 2]" 1
691 1 42 TRP HZ3 1 55 VAL HB . . 4.950 4.931 4.796 4.985 0.035 16 0 "[ . 1 . 2]" 1
692 1 42 TRP HZ3 1 55 VAL MG1 . . 4.860 3.769 3.553 4.116 . 0 0 "[ . 1 . 2]" 1
693 1 42 TRP HZ3 1 56 PRO HD2 . . 4.120 3.827 3.735 4.130 0.010 6 0 "[ . 1 . 2]" 1
694 1 42 TRP HZ3 1 56 PRO QD . . 3.520 2.535 2.435 2.696 . 0 0 "[ . 1 . 2]" 1
695 1 42 TRP HZ3 1 56 PRO HD3 . . 4.120 2.573 2.466 2.732 . 0 0 "[ . 1 . 2]" 1
696 1 42 TRP HZ3 1 56 PRO HG3 . . 4.830 4.642 4.465 4.838 0.008 14 0 "[ . 1 . 2]" 1
697 1 43 TRP H 1 43 TRP HB2 . . 3.350 2.344 2.319 2.373 . 0 0 "[ . 1 . 2]" 1
698 1 43 TRP H 1 43 TRP HB3 . . 3.920 3.587 3.578 3.608 . 0 0 "[ . 1 . 2]" 1
699 1 43 TRP H 1 43 TRP HD1 . . 4.070 2.750 2.668 2.932 . 0 0 "[ . 1 . 2]" 1
700 1 43 TRP H 1 54 TYR QD . . 4.760 4.537 4.157 4.703 . 0 0 "[ . 1 . 2]" 1
701 1 43 TRP H 1 55 VAL H . . 3.750 3.550 3.144 3.759 0.009 7 0 "[ . 1 . 2]" 1
702 1 43 TRP H 1 55 VAL MG2 . . 4.210 3.900 3.674 4.056 . 0 0 "[ . 1 . 2]" 1
703 1 43 TRP H 1 56 PRO HA . . 4.150 3.469 3.323 3.664 . 0 0 "[ . 1 . 2]" 1
704 1 43 TRP H 1 57 TYR H . . 4.470 3.278 3.026 3.556 . 0 0 "[ . 1 . 2]" 1
705 1 43 TRP H 1 60 LEU QD . . 5.080 4.005 3.604 4.318 . 0 0 "[ . 1 . 2]" 1
706 1 43 TRP HA 1 43 TRP HD1 . . 3.350 2.633 2.528 2.697 . 0 0 "[ . 1 . 2]" 1
707 1 43 TRP HA 1 43 TRP HE1 . . 5.010 4.752 4.719 4.796 . 0 0 "[ . 1 . 2]" 1
708 1 43 TRP HA 1 44 LYS H . . 3.070 2.177 2.103 2.237 . 0 0 "[ . 1 . 2]" 1
709 1 43 TRP HA 1 44 LYS HA . . 4.480 4.457 4.428 4.479 . 0 0 "[ . 1 . 2]" 1
710 1 43 TRP HA 1 44 LYS HB2 . . 4.470 4.391 4.277 4.499 0.029 11 0 "[ . 1 . 2]" 1
711 1 43 TRP HA 1 44 LYS HB3 . . 5.480 4.825 4.625 5.026 . 0 0 "[ . 1 . 2]" 1
712 1 43 TRP HA 1 54 TYR QD . . 5.260 4.151 3.894 4.285 . 0 0 "[ . 1 . 2]" 1
713 1 43 TRP HA 1 54 TYR QE . . 4.840 4.756 4.318 4.873 0.033 12 0 "[ . 1 . 2]" 1
714 1 43 TRP HA 1 55 VAL MG2 . . 5.330 5.165 4.998 5.346 0.016 5 0 "[ . 1 . 2]" 1
715 1 43 TRP HB2 1 43 TRP HE3 . . 3.900 3.410 3.344 3.495 . 0 0 "[ . 1 . 2]" 1
716 1 43 TRP HB2 1 44 LYS H . . 4.400 4.138 3.975 4.389 . 0 0 "[ . 1 . 2]" 1
717 1 43 TRP HB2 1 45 VAL QG . . 3.810 3.475 3.330 3.735 . 0 0 "[ . 1 . 2]" 1
718 1 43 TRP HB2 1 55 VAL H . . 4.640 4.232 3.986 4.379 . 0 0 "[ . 1 . 2]" 1
719 1 43 TRP HB2 1 55 VAL MG2 . . 3.890 3.254 3.094 3.440 . 0 0 "[ . 1 . 2]" 1
720 1 43 TRP HB2 1 60 LEU QD . . 4.000 2.509 2.201 2.803 . 0 0 "[ . 1 . 2]" 1
721 1 43 TRP HB3 1 43 TRP HE3 . . 3.850 2.721 2.665 2.789 . 0 0 "[ . 1 . 2]" 1
722 1 43 TRP HB3 1 44 LYS H . . 3.910 2.995 2.726 3.419 . 0 0 "[ . 1 . 2]" 1
723 1 43 TRP HB3 1 45 VAL QG . . 3.740 3.000 2.885 3.295 . 0 0 "[ . 1 . 2]" 1
724 1 43 TRP HB3 1 60 LEU QD . . 3.990 3.273 2.996 3.601 . 0 0 "[ . 1 . 2]" 1
725 1 43 TRP HD1 1 44 LYS H . . 4.770 4.772 4.640 4.816 0.046 6 0 "[ . 1 . 2]" 1
726 1 43 TRP HD1 1 57 TYR H . . 4.690 4.117 3.943 4.393 . 0 0 "[ . 1 . 2]" 1
727 1 43 TRP HD1 1 57 TYR HB2 . . 4.910 4.376 4.163 4.735 . 0 0 "[ . 1 . 2]" 1
728 1 43 TRP HD1 1 57 TYR HB3 . . 4.760 3.005 2.870 3.255 . 0 0 "[ . 1 . 2]" 1
729 1 43 TRP HE1 1 57 TYR H . . 5.500 5.211 4.942 5.470 . 0 0 "[ . 1 . 2]" 1
730 1 43 TRP HE1 1 57 TYR HB2 . . 4.590 3.841 3.646 4.187 . 0 0 "[ . 1 . 2]" 1
731 1 43 TRP HE1 1 57 TYR HB3 . . 4.080 3.216 2.961 3.424 . 0 0 "[ . 1 . 2]" 1
732 1 43 TRP HE1 1 57 TYR QD . . 5.130 4.189 3.891 4.461 . 0 0 "[ . 1 . 2]" 1
733 1 43 TRP HE3 1 45 VAL QG . . 3.980 3.570 3.424 3.966 . 0 0 "[ . 1 . 2]" 1
734 1 43 TRP HE3 1 60 LEU QD . . 3.750 2.857 2.425 3.174 . 0 0 "[ . 1 . 2]" 1
735 1 43 TRP HZ2 1 57 TYR HB2 . . 4.440 4.124 3.928 4.336 . 0 0 "[ . 1 . 2]" 1
736 1 43 TRP HZ2 1 57 TYR HB3 . . 4.830 4.705 4.392 4.860 0.030 16 0 "[ . 1 . 2]" 1
737 1 43 TRP HZ2 1 57 TYR QD . . 5.110 4.463 3.562 4.844 . 0 0 "[ . 1 . 2]" 1
738 1 43 TRP HZ3 1 60 LEU QD . . 4.640 4.220 3.760 4.520 . 0 0 "[ . 1 . 2]" 1
739 1 44 LYS H 1 44 LYS HB2 . . 3.650 2.729 2.552 2.932 . 0 0 "[ . 1 . 2]" 1
740 1 44 LYS H 1 44 LYS HB3 . . 3.720 2.724 2.569 2.880 . 0 0 "[ . 1 . 2]" 1
741 1 44 LYS H 1 44 LYS QG . . 4.730 4.075 4.020 4.205 . 0 0 "[ . 1 . 2]" 1
742 1 44 LYS H 1 45 VAL H . . 4.650 4.482 4.422 4.565 . 0 0 "[ . 1 . 2]" 1
743 1 44 LYS H 1 45 VAL QG . . 4.720 3.954 3.751 4.208 . 0 0 "[ . 1 . 2]" 1
744 1 44 LYS H 1 54 TYR QE . . 4.680 4.104 3.674 4.351 . 0 0 "[ . 1 . 2]" 1
745 1 44 LYS HA 1 44 LYS HG2 . . 3.670 2.786 2.233 3.109 . 0 0 "[ . 1 . 2]" 1
746 1 44 LYS HA 1 44 LYS QG . . 3.190 2.278 2.195 2.402 . 0 0 "[ . 1 . 2]" 1
747 1 44 LYS HA 1 44 LYS HG3 . . 3.670 2.484 2.284 3.332 . 0 0 "[ . 1 . 2]" 1
748 1 44 LYS HA 1 45 VAL H . . 2.870 2.147 2.103 2.211 . 0 0 "[ . 1 . 2]" 1
749 1 44 LYS HA 1 45 VAL QG . . 4.180 3.287 3.154 3.415 . 0 0 "[ . 1 . 2]" 1
750 1 44 LYS HA 1 53 GLY H . . 4.340 4.327 4.208 4.389 0.049 17 0 "[ . 1 . 2]" 1
751 1 44 LYS HA 1 54 TYR HA . . 3.330 2.577 2.327 2.793 . 0 0 "[ . 1 . 2]" 1
752 1 44 LYS HA 1 54 TYR QD . . 3.970 3.299 3.067 3.602 . 0 0 "[ . 1 . 2]" 1
753 1 44 LYS HA 1 54 TYR QE . . 4.390 4.214 4.067 4.417 0.027 7 0 "[ . 1 . 2]" 1
754 1 44 LYS HA 1 55 VAL H . . 4.030 3.833 3.537 4.055 0.025 6 0 "[ . 1 . 2]" 1
755 1 44 LYS HB2 1 54 TYR HA . . 4.710 4.254 3.745 4.684 . 0 0 "[ . 1 . 2]" 1
756 1 44 LYS HB2 1 54 TYR QD . . 3.970 3.205 2.838 3.715 . 0 0 "[ . 1 . 2]" 1
757 1 44 LYS HB2 1 54 TYR QE . . 3.560 2.421 2.271 2.813 . 0 0 "[ . 1 . 2]" 1
758 1 44 LYS HB3 1 45 VAL H . . 4.520 4.030 3.842 4.194 . 0 0 "[ . 1 . 2]" 1
759 1 44 LYS HB3 1 54 TYR QE . . 4.330 4.029 3.779 4.294 . 0 0 "[ . 1 . 2]" 1
760 1 44 LYS QE 1 44 LYS QG . . 3.230 2.300 2.047 2.856 . 0 0 "[ . 1 . 2]" 1
761 1 44 LYS QE 1 52 GLU QB . . 3.950 3.087 2.220 3.989 0.039 8 0 "[ . 1 . 2]" 1
762 1 44 LYS QG 1 45 VAL H . . 3.730 2.625 2.336 2.915 . 0 0 "[ . 1 . 2]" 1
763 1 44 LYS QG 1 54 TYR HA . . 4.700 3.603 3.174 3.978 . 0 0 "[ . 1 . 2]" 1
764 1 44 LYS QG 1 54 TYR QD . . 4.670 3.673 3.377 3.981 . 0 0 "[ . 1 . 2]" 1
765 1 44 LYS QG 1 54 TYR QE . . 4.320 3.588 3.198 3.949 . 0 0 "[ . 1 . 2]" 1
766 1 44 LYS HG2 1 45 VAL H . . 4.600 2.778 2.361 3.205 . 0 0 "[ . 1 . 2]" 1
767 1 44 LYS HG2 1 53 GLY H . . 4.310 3.630 2.829 4.128 . 0 0 "[ . 1 . 2]" 1
768 1 44 LYS HG2 1 54 TYR QE . . 4.910 4.875 4.636 4.977 0.067 14 0 "[ . 1 . 2]" 1
769 1 44 LYS HG3 1 45 VAL H . . 4.600 3.370 2.942 4.167 . 0 0 "[ . 1 . 2]" 1
770 1 44 LYS HG3 1 53 GLY H . . 4.310 3.859 3.468 4.347 0.037 7 0 "[ . 1 . 2]" 1
771 1 44 LYS HG3 1 54 TYR QE . . 4.910 3.696 3.256 4.142 . 0 0 "[ . 1 . 2]" 1
772 1 45 VAL H 1 45 VAL QG . . 3.070 2.253 2.168 2.346 . 0 0 "[ . 1 . 2]" 1
773 1 45 VAL H 1 46 ARG H . . 4.570 4.469 4.453 4.512 . 0 0 "[ . 1 . 2]" 1
774 1 45 VAL H 1 53 GLY H . . 3.710 3.045 2.891 3.193 . 0 0 "[ . 1 . 2]" 1
775 1 45 VAL H 1 54 TYR HA . . 4.060 3.829 3.560 3.973 . 0 0 "[ . 1 . 2]" 1
776 1 45 VAL HA 1 45 VAL QG . . 3.080 2.342 2.297 2.436 . 0 0 "[ . 1 . 2]" 1
777 1 45 VAL HA 1 46 ARG H . . 2.950 2.278 2.228 2.332 . 0 0 "[ . 1 . 2]" 1
778 1 45 VAL HB 1 46 ARG H . . 3.160 2.540 2.369 2.715 . 0 0 "[ . 1 . 2]" 1
779 1 45 VAL QG 1 46 ARG H . . 3.520 3.253 3.153 3.348 . 0 0 "[ . 1 . 2]" 1
780 1 45 VAL QG 1 46 ARG HA . . 4.580 3.976 3.776 4.130 . 0 0 "[ . 1 . 2]" 1
781 1 45 VAL QG 1 47 ASP H . . 5.100 4.122 3.883 4.423 . 0 0 "[ . 1 . 2]" 1
782 1 45 VAL QG 1 52 GLU HA . . 4.660 4.336 4.037 4.511 . 0 0 "[ . 1 . 2]" 1
783 1 45 VAL QG 1 53 GLY H . . 3.810 3.478 3.119 3.658 . 0 0 "[ . 1 . 2]" 1
784 1 46 ARG H 1 46 ARG QB . . 3.390 2.427 2.371 2.542 . 0 0 "[ . 1 . 2]" 1
785 1 46 ARG H 1 47 ASP H . . 4.280 4.298 4.196 4.352 0.072 10 0 "[ . 1 . 2]" 1
786 1 46 ARG HA 1 46 ARG HG2 . . 4.110 3.039 2.596 3.614 . 0 0 "[ . 1 . 2]" 1
787 1 46 ARG HA 1 46 ARG QG . . 3.520 2.393 2.296 2.566 . 0 0 "[ . 1 . 2]" 1
788 1 46 ARG HA 1 46 ARG HG3 . . 4.110 2.545 2.457 2.639 . 0 0 "[ . 1 . 2]" 1
789 1 46 ARG HA 1 47 ASP H . . 2.890 2.073 2.002 2.120 . 0 0 "[ . 1 . 2]" 1
790 1 46 ARG HA 1 51 GLN H . . 5.200 5.138 4.870 5.247 0.047 11 0 "[ . 1 . 2]" 1
791 1 46 ARG HA 1 52 GLU HA . . 3.400 2.662 2.465 2.825 . 0 0 "[ . 1 . 2]" 1
792 1 46 ARG HA 1 52 GLU HB2 . . 5.120 5.160 4.744 5.233 0.113 16 0 "[ . 1 . 2]" 1
793 1 46 ARG HA 1 52 GLU QB . . 4.340 4.176 3.610 4.356 0.016 18 0 "[ . 1 . 2]" 1
794 1 46 ARG HA 1 52 GLU HB3 . . 5.120 4.417 3.743 4.714 . 0 0 "[ . 1 . 2]" 1
795 1 46 ARG HA 1 52 GLU HG2 . . 4.410 3.068 2.812 3.641 . 0 0 "[ . 1 . 2]" 1
796 1 46 ARG HA 1 52 GLU QG . . 3.810 2.822 2.289 3.074 . 0 0 "[ . 1 . 2]" 1
797 1 46 ARG HA 1 52 GLU HG3 . . 4.410 3.695 2.314 4.282 . 0 0 "[ . 1 . 2]" 1
798 1 46 ARG HA 1 53 GLY H . . 4.220 4.162 3.943 4.286 0.066 18 0 "[ . 1 . 2]" 1
799 1 46 ARG QB 1 46 ARG QD . . 2.960 2.336 2.119 2.373 . 0 0 "[ . 1 . 2]" 1
800 1 46 ARG QB 1 46 ARG HE . . 3.830 2.388 2.137 3.835 0.005 9 0 "[ . 1 . 2]" 1
801 1 46 ARG QB 1 47 ASP H . . 4.390 3.811 3.697 3.879 . 0 0 "[ . 1 . 2]" 1
802 1 46 ARG HB2 1 46 ARG HD2 . . 3.880 3.368 2.561 3.658 . 0 0 "[ . 1 . 2]" 1
803 1 46 ARG HB2 1 46 ARG HD3 . . 3.880 3.250 2.393 3.863 . 0 0 "[ . 1 . 2]" 1
804 1 46 ARG HB2 1 46 ARG HE . . 4.390 2.653 2.292 4.170 . 0 0 "[ . 1 . 2]" 1
805 1 46 ARG HB3 1 46 ARG HD2 . . 3.880 3.058 2.454 3.929 0.049 19 0 "[ . 1 . 2]" 1
806 1 46 ARG HB3 1 46 ARG HD3 . . 3.880 3.547 2.516 3.724 . 0 0 "[ . 1 . 2]" 1
807 1 46 ARG HB3 1 46 ARG HE . . 4.390 3.036 2.198 4.476 0.086 9 0 "[ . 1 . 2]" 1
808 1 46 ARG QD 1 50 GLY HA2 . . 4.120 3.357 3.127 3.553 . 0 0 "[ . 1 . 2]" 1
809 1 46 ARG HD2 1 50 GLY HA2 . . 4.730 4.110 3.198 4.741 0.011 9 0 "[ . 1 . 2]" 1
810 1 46 ARG HD3 1 50 GLY HA2 . . 4.730 3.923 3.312 4.720 . 0 0 "[ . 1 . 2]" 1
811 1 46 ARG HE 1 52 GLU QG . . 4.450 4.011 3.110 4.512 0.062 7 0 "[ . 1 . 2]" 1
812 1 46 ARG QG 1 47 ASP H . . 3.690 2.930 2.733 3.032 . 0 0 "[ . 1 . 2]" 1
813 1 46 ARG QG 1 50 GLY H . . 4.040 3.900 3.697 3.994 . 0 0 "[ . 1 . 2]" 1
814 1 46 ARG QG 1 50 GLY HA2 . . 3.780 3.351 2.998 3.439 . 0 0 "[ . 1 . 2]" 1
815 1 46 ARG QG 1 50 GLY HA3 . . 4.930 4.856 4.532 4.942 0.012 18 0 "[ . 1 . 2]" 1
816 1 46 ARG QG 1 52 GLU HA . . 4.490 3.984 3.735 4.239 . 0 0 "[ . 1 . 2]" 1
817 1 46 ARG QG 1 52 GLU QG . . 3.630 2.800 2.370 3.385 . 0 0 "[ . 1 . 2]" 1
818 1 46 ARG HG2 1 47 ASP H . . 4.330 3.439 2.802 4.133 . 0 0 "[ . 1 . 2]" 1
819 1 46 ARG HG2 1 50 GLY HA2 . . 4.330 3.746 3.092 4.232 . 0 0 "[ . 1 . 2]" 1
820 1 46 ARG HG3 1 47 ASP H . . 4.330 3.475 2.839 3.936 . 0 0 "[ . 1 . 2]" 1
821 1 46 ARG HG3 1 50 GLY HA2 . . 4.330 3.983 3.427 4.341 0.011 20 0 "[ . 1 . 2]" 1
822 1 47 ASP H 1 47 ASP HB2 . . 4.130 3.576 3.530 3.665 . 0 0 "[ . 1 . 2]" 1
823 1 47 ASP H 1 47 ASP QB . . 3.400 2.661 2.596 2.757 . 0 0 "[ . 1 . 2]" 1
824 1 47 ASP H 1 47 ASP HB3 . . 4.130 2.745 2.669 2.858 . 0 0 "[ . 1 . 2]" 1
825 1 47 ASP H 1 50 GLY H . . 4.520 4.392 4.169 4.529 0.009 7 0 "[ . 1 . 2]" 1
826 1 47 ASP H 1 50 GLY HA2 . . 5.500 5.288 4.887 5.507 0.007 7 0 "[ . 1 . 2]" 1
827 1 47 ASP H 1 51 GLN H . . 4.020 3.952 3.541 4.048 0.028 1 0 "[ . 1 . 2]" 1
828 1 47 ASP H 1 51 GLN HA . . 5.500 5.485 5.135 5.547 0.047 13 0 "[ . 1 . 2]" 1
829 1 47 ASP H 1 51 GLN HB2 . . 4.700 4.480 4.344 4.572 . 0 0 "[ . 1 . 2]" 1
830 1 47 ASP H 1 52 GLU HA . . 3.990 3.353 3.239 3.530 . 0 0 "[ . 1 . 2]" 1
831 1 47 ASP H 1 52 GLU HG2 . . 5.370 4.780 4.487 5.384 0.014 18 0 "[ . 1 . 2]" 1
832 1 47 ASP H 1 52 GLU QG . . 4.650 4.246 3.678 4.421 . 0 0 "[ . 1 . 2]" 1
833 1 47 ASP H 1 52 GLU HG3 . . 5.370 4.900 3.745 5.317 . 0 0 "[ . 1 . 2]" 1
834 1 47 ASP HA 1 48 PRO QD . . 3.280 2.214 2.184 2.245 . 0 0 "[ . 1 . 2]" 1
835 1 47 ASP HA 1 48 PRO HG2 . . 4.820 4.652 4.616 4.702 . 0 0 "[ . 1 . 2]" 1
836 1 47 ASP HA 1 48 PRO HG3 . . 4.820 4.669 4.631 4.705 . 0 0 "[ . 1 . 2]" 1
837 1 47 ASP HA 1 49 ALA H . . 4.720 4.206 4.153 4.261 . 0 0 "[ . 1 . 2]" 1
838 1 47 ASP QB 1 48 PRO QD . . 2.880 2.078 1.996 2.118 . 0 0 "[ . 1 . 2]" 1
839 1 47 ASP QB 1 48 PRO QG . . 4.150 3.607 3.561 3.657 . 0 0 "[ . 1 . 2]" 1
840 1 47 ASP QB 1 49 ALA H . . 4.280 2.764 2.695 2.895 . 0 0 "[ . 1 . 2]" 1
841 1 47 ASP HB2 1 48 PRO HD2 . . 4.370 2.119 2.026 2.164 . 0 0 "[ . 1 . 2]" 1
842 1 47 ASP HB2 1 48 PRO HD3 . . 4.370 3.560 3.455 3.602 . 0 0 "[ . 1 . 2]" 1
843 1 47 ASP HB2 1 49 ALA H . . 5.000 2.795 2.723 2.941 . 0 0 "[ . 1 . 2]" 1
844 1 47 ASP HB3 1 48 PRO HD2 . . 4.370 3.336 3.297 3.418 . 0 0 "[ . 1 . 2]" 1
845 1 47 ASP HB3 1 48 PRO HD3 . . 4.370 4.359 4.331 4.411 0.041 10 0 "[ . 1 . 2]" 1
846 1 47 ASP HB3 1 49 ALA H . . 5.000 4.365 4.288 4.456 . 0 0 "[ . 1 . 2]" 1
847 1 48 PRO HA 1 49 ALA MB . . 5.130 5.009 4.990 5.027 . 0 0 "[ . 1 . 2]" 1
848 1 48 PRO HA 1 50 GLY H . . 4.290 3.744 3.593 3.995 . 0 0 "[ . 1 . 2]" 1
849 1 48 PRO HB2 1 49 ALA H . . 4.180 3.944 3.917 3.977 . 0 0 "[ . 1 . 2]" 1
850 1 48 PRO HB2 1 49 ALA HA . . 4.710 4.520 4.449 4.612 . 0 0 "[ . 1 . 2]" 1
851 1 48 PRO HB3 1 49 ALA H . . 4.470 4.523 4.505 4.538 0.068 6 0 "[ . 1 . 2]" 1
852 1 48 PRO QD 1 49 ALA H . . 4.020 3.079 2.997 3.145 . 0 0 "[ . 1 . 2]" 1
853 1 48 PRO QG 1 49 ALA H . . 4.370 3.050 2.943 3.143 . 0 0 "[ . 1 . 2]" 1
854 1 49 ALA H 1 49 ALA MB . . 2.870 2.281 2.147 2.317 . 0 0 "[ . 1 . 2]" 1
855 1 49 ALA H 1 50 GLY H . . 2.940 2.428 2.374 2.459 . 0 0 "[ . 1 . 2]" 1
856 1 49 ALA H 1 50 GLY HA2 . . 4.930 4.771 4.712 4.805 . 0 0 "[ . 1 . 2]" 1
857 1 49 ALA H 1 50 GLY HA3 . . 5.160 5.186 5.148 5.204 0.044 8 0 "[ . 1 . 2]" 1
858 1 49 ALA H 1 51 GLN H . . 3.760 3.801 3.780 3.844 0.084 1 0 "[ . 1 . 2]" 1
859 1 49 ALA HA 1 51 GLN H . . 5.030 4.928 4.815 5.078 0.048 10 0 "[ . 1 . 2]" 1
860 1 49 ALA MB 1 50 GLY H . . 3.780 3.042 2.839 3.130 . 0 0 "[ . 1 . 2]" 1
861 1 49 ALA MB 1 51 GLN H . . 3.580 3.126 3.023 3.247 . 0 0 "[ . 1 . 2]" 1
862 1 49 ALA MB 1 51 GLN HG2 . . 3.880 3.841 3.388 3.986 0.106 12 0 "[ . 1 . 2]" 1
863 1 49 ALA MB 1 51 GLN QG . . 3.170 2.725 2.480 3.178 0.008 14 0 "[ . 1 . 2]" 1
864 1 49 ALA MB 1 51 GLN HG3 . . 3.880 2.866 2.507 3.834 . 0 0 "[ . 1 . 2]" 1
865 1 50 GLY H 1 51 GLN H . . 2.930 2.264 2.036 2.401 . 0 0 "[ . 1 . 2]" 1
866 1 50 GLY H 1 51 GLN HB2 . . 4.760 4.733 4.516 4.793 0.033 3 0 "[ . 1 . 2]" 1
867 1 50 GLY H 1 51 GLN QG . . 4.550 4.077 3.818 4.396 . 0 0 "[ . 1 . 2]" 1
868 1 50 GLY HA2 1 51 GLN H . . 3.510 3.194 3.049 3.289 . 0 0 "[ . 1 . 2]" 1
869 1 51 GLN H 1 51 GLN HB2 . . 3.120 2.654 2.430 2.729 . 0 0 "[ . 1 . 2]" 1
870 1 51 GLN H 1 51 GLN HB3 . . 3.810 3.720 3.631 3.815 0.005 10 0 "[ . 1 . 2]" 1
871 1 51 GLN H 1 51 GLN HG2 . . 3.500 3.126 2.540 3.397 . 0 0 "[ . 1 . 2]" 1
872 1 51 GLN H 1 51 GLN QG . . 3.050 2.528 2.382 2.944 . 0 0 "[ . 1 . 2]" 1
873 1 51 GLN H 1 51 GLN HG3 . . 3.500 2.838 2.437 3.614 0.114 1 0 "[ . 1 . 2]" 1
874 1 51 GLN H 1 52 GLU H . . 4.530 4.458 4.426 4.520 . 0 0 "[ . 1 . 2]" 1
875 1 51 GLN HA 1 51 GLN HG2 . . 3.910 2.713 2.606 2.976 . 0 0 "[ . 1 . 2]" 1
876 1 51 GLN HA 1 51 GLN QG . . 3.350 2.638 2.552 2.878 . 0 0 "[ . 1 . 2]" 1
877 1 51 GLN HA 1 51 GLN HG3 . . 3.910 3.608 3.410 3.859 . 0 0 "[ . 1 . 2]" 1
878 1 51 GLN HA 1 52 GLU H . . 2.830 2.663 2.424 2.716 . 0 0 "[ . 1 . 2]" 1
879 1 51 GLN HA 1 52 GLU HA . . 4.720 4.655 4.547 4.680 . 0 0 "[ . 1 . 2]" 1
880 1 51 GLN HB2 1 52 GLU H . . 4.310 3.029 2.872 3.475 . 0 0 "[ . 1 . 2]" 1
881 1 51 GLN HB3 1 52 GLU H . . 3.660 2.141 2.083 2.366 . 0 0 "[ . 1 . 2]" 1
882 1 51 GLN QG 1 52 GLU H . . 4.510 4.135 4.075 4.256 . 0 0 "[ . 1 . 2]" 1
883 1 52 GLU H 1 52 GLU HB2 . . 4.130 2.825 2.716 2.948 . 0 0 "[ . 1 . 2]" 1
884 1 52 GLU H 1 52 GLU QB . . 3.400 2.760 2.660 2.872 . 0 0 "[ . 1 . 2]" 1
885 1 52 GLU H 1 52 GLU HB3 . . 4.130 3.876 3.793 3.967 . 0 0 "[ . 1 . 2]" 1
886 1 52 GLU H 1 52 GLU QG . . 4.870 3.427 3.148 3.884 . 0 0 "[ . 1 . 2]" 1
887 1 52 GLU HA 1 52 GLU HG2 . . 3.990 2.729 2.546 3.611 . 0 0 "[ . 1 . 2]" 1
888 1 52 GLU HA 1 52 GLU QG . . 3.440 2.470 2.266 2.597 . 0 0 "[ . 1 . 2]" 1
889 1 52 GLU HA 1 52 GLU HG3 . . 3.990 2.961 2.328 3.231 . 0 0 "[ . 1 . 2]" 1
890 1 52 GLU HA 1 53 GLY H . . 2.780 2.308 2.241 2.362 . 0 0 "[ . 1 . 2]" 1
891 1 52 GLU HA 1 53 GLY QA . . 4.650 4.009 3.972 4.029 . 0 0 "[ . 1 . 2]" 1
892 1 52 GLU QB 1 53 GLY H . . 3.420 2.683 2.439 2.850 . 0 0 "[ . 1 . 2]" 1
893 1 52 GLU HB2 1 53 GLY H . . 4.210 3.914 3.589 4.078 . 0 0 "[ . 1 . 2]" 1
894 1 52 GLU HB3 1 53 GLY H . . 4.210 2.733 2.481 2.911 . 0 0 "[ . 1 . 2]" 1
895 1 52 GLU QG 1 53 GLY H . . 4.370 3.879 3.532 4.169 . 0 0 "[ . 1 . 2]" 1
896 1 52 GLU HG2 1 53 GLY H . . 5.070 4.104 3.818 4.584 . 0 0 "[ . 1 . 2]" 1
897 1 52 GLU HG3 1 53 GLY H . . 5.070 4.833 4.057 5.101 0.031 8 0 "[ . 1 . 2]" 1
898 1 53 GLY H 1 54 TYR H . . 4.530 4.376 4.318 4.417 . 0 0 "[ . 1 . 2]" 1
899 1 53 GLY QA 1 54 TYR H . . 3.130 2.211 2.153 2.266 . 0 0 "[ . 1 . 2]" 1
900 1 53 GLY QA 1 54 TYR HA . . 5.010 4.027 3.990 4.062 . 0 0 "[ . 1 . 2]" 1
901 1 53 GLY QA 1 54 TYR HB2 . . 4.630 4.200 3.998 4.266 . 0 0 "[ . 1 . 2]" 1
902 1 53 GLY QA 1 54 TYR QD . . 4.370 3.815 2.726 4.320 . 0 0 "[ . 1 . 2]" 1
903 1 54 TYR H 1 54 TYR HB2 . . 3.510 2.348 2.304 2.423 . 0 0 "[ . 1 . 2]" 1
904 1 54 TYR H 1 54 TYR HB3 . . 4.010 3.581 3.550 3.625 . 0 0 "[ . 1 . 2]" 1
905 1 54 TYR H 1 54 TYR QD . . 3.610 2.939 2.684 3.133 . 0 0 "[ . 1 . 2]" 1
906 1 54 TYR HA 1 54 TYR QD . . 3.550 2.595 2.328 3.077 . 0 0 "[ . 1 . 2]" 1
907 1 54 TYR HA 1 54 TYR QE . . 4.660 4.501 4.367 4.675 0.015 11 0 "[ . 1 . 2]" 1
908 1 54 TYR HA 1 55 VAL H . . 2.840 2.168 2.146 2.184 . 0 0 "[ . 1 . 2]" 1
909 1 54 TYR HA 1 55 VAL MG1 . . 4.590 4.208 4.017 4.353 . 0 0 "[ . 1 . 2]" 1
910 1 54 TYR HA 1 55 VAL MG2 . . 4.360 3.493 3.389 3.630 . 0 0 "[ . 1 . 2]" 1
911 1 54 TYR HB2 1 55 VAL H . . 4.500 4.150 4.093 4.222 . 0 0 "[ . 1 . 2]" 1
912 1 54 TYR HB3 1 55 VAL H . . 3.880 3.049 2.922 3.151 . 0 0 "[ . 1 . 2]" 1
913 1 54 TYR QD 1 55 VAL H . . 4.360 3.563 3.282 3.795 . 0 0 "[ . 1 . 2]" 1
914 1 55 VAL H 1 55 VAL HB . . 4.160 3.865 3.831 3.923 . 0 0 "[ . 1 . 2]" 1
915 1 55 VAL H 1 55 VAL MG1 . . 4.020 3.478 3.329 3.574 . 0 0 "[ . 1 . 2]" 1
916 1 55 VAL H 1 55 VAL MG2 . . 3.370 2.454 2.404 2.497 . 0 0 "[ . 1 . 2]" 1
917 1 55 VAL HA 1 55 VAL MG1 . . 3.310 2.252 2.199 2.318 . 0 0 "[ . 1 . 2]" 1
918 1 55 VAL HA 1 55 VAL MG2 . . 3.690 3.259 3.240 3.279 . 0 0 "[ . 1 . 2]" 1
919 1 55 VAL HA 1 56 PRO HD2 . . 3.270 2.521 2.459 2.716 . 0 0 "[ . 1 . 2]" 1
920 1 55 VAL HA 1 56 PRO HD3 . . 3.270 2.441 2.367 2.524 . 0 0 "[ . 1 . 2]" 1
921 1 55 VAL HB 1 56 PRO HD2 . . 3.810 2.261 2.145 2.333 . 0 0 "[ . 1 . 2]" 1
922 1 55 VAL HB 1 56 PRO QD . . 3.140 2.239 2.124 2.309 . 0 0 "[ . 1 . 2]" 1
923 1 55 VAL HB 1 56 PRO HD3 . . 3.810 3.635 3.412 3.694 . 0 0 "[ . 1 . 2]" 1
924 1 55 VAL HB 1 59 ILE MD . . 3.390 2.719 2.195 3.084 . 0 0 "[ . 1 . 2]" 1
925 1 55 VAL HB 1 60 LEU QD . . 3.890 3.378 3.141 3.734 . 0 0 "[ . 1 . 2]" 1
926 1 55 VAL MG1 1 56 PRO HD2 . . 3.950 2.917 2.650 3.216 . 0 0 "[ . 1 . 2]" 1
927 1 55 VAL MG1 1 56 PRO QD . . 3.310 2.815 2.577 3.086 . 0 0 "[ . 1 . 2]" 1
928 1 55 VAL MG1 1 56 PRO HD3 . . 3.950 3.709 3.522 3.974 0.024 8 0 "[ . 1 . 2]" 1
929 1 55 VAL MG2 1 57 TYR HA . . 4.740 4.531 3.991 4.740 0.000 6 0 "[ . 1 . 2]" 1
930 1 55 VAL MG2 1 60 LEU HG . . 3.950 3.463 2.917 3.817 . 0 0 "[ . 1 . 2]" 1
931 1 56 PRO HA 1 57 TYR H . . 2.980 2.227 2.197 2.256 . 0 0 "[ . 1 . 2]" 1
932 1 56 PRO HA 1 57 TYR QD . . 4.620 3.866 3.706 4.060 . 0 0 "[ . 1 . 2]" 1
933 1 56 PRO HA 1 58 ASN H . . 4.900 3.885 3.846 3.937 . 0 0 "[ . 1 . 2]" 1
934 1 56 PRO HB2 1 58 ASN H . . 4.000 2.615 2.470 2.810 . 0 0 "[ . 1 . 2]" 1
935 1 56 PRO HB2 1 59 ILE H . . 4.650 3.523 3.256 3.853 . 0 0 "[ . 1 . 2]" 1
936 1 56 PRO HB2 1 59 ILE MG . . 3.940 3.887 3.622 3.972 0.032 11 0 "[ . 1 . 2]" 1
937 1 56 PRO HB3 1 57 TYR H . . 4.430 3.985 3.859 4.069 . 0 0 "[ . 1 . 2]" 1
938 1 56 PRO HB3 1 58 ASN H . . 4.650 4.158 4.071 4.295 . 0 0 "[ . 1 . 2]" 1
939 1 56 PRO QD 1 59 ILE MD . . 3.520 2.667 2.476 2.858 . 0 0 "[ . 1 . 2]" 1
940 1 56 PRO HD2 1 59 ILE MD . . 4.350 2.701 2.506 2.894 . 0 0 "[ . 1 . 2]" 1
941 1 56 PRO HD3 1 59 ILE MD . . 4.350 4.124 3.867 4.418 0.068 6 0 "[ . 1 . 2]" 1
942 1 57 TYR H 1 57 TYR HB2 . . 3.750 3.568 3.539 3.621 . 0 0 "[ . 1 . 2]" 1
943 1 57 TYR H 1 57 TYR HB3 . . 3.370 2.321 2.265 2.419 . 0 0 "[ . 1 . 2]" 1
944 1 57 TYR H 1 57 TYR QD . . 3.780 2.229 2.139 2.365 . 0 0 "[ . 1 . 2]" 1
945 1 57 TYR H 1 58 ASN H . . 3.650 2.855 2.699 2.918 . 0 0 "[ . 1 . 2]" 1
946 1 57 TYR H 1 60 LEU QD . . 4.880 4.260 4.027 4.524 . 0 0 "[ . 1 . 2]" 1
947 1 57 TYR HA 1 57 TYR QD . . 4.220 3.745 3.727 3.758 . 0 0 "[ . 1 . 2]" 1
948 1 57 TYR HA 1 60 LEU H . . 4.970 3.433 2.995 3.816 . 0 0 "[ . 1 . 2]" 1
949 1 57 TYR HA 1 60 LEU HB3 . . 4.570 4.212 4.000 4.530 . 0 0 "[ . 1 . 2]" 1
950 1 57 TYR HA 1 60 LEU QD . . 3.300 2.332 2.185 2.722 . 0 0 "[ . 1 . 2]" 1
951 1 57 TYR HA 1 60 LEU HG . . 4.540 3.060 2.460 3.533 . 0 0 "[ . 1 . 2]" 1
952 1 57 TYR HB2 1 58 ASN H . . 4.640 4.273 4.222 4.343 . 0 0 "[ . 1 . 2]" 1
953 1 57 TYR HB3 1 58 ASN H . . 4.590 4.105 4.036 4.179 . 0 0 "[ . 1 . 2]" 1
954 1 57 TYR QD 1 58 ASN HA . . 4.330 3.925 3.598 4.199 . 0 0 "[ . 1 . 2]" 1
955 1 57 TYR QD 1 60 LEU QD . . 5.130 4.924 4.665 5.172 0.042 3 0 "[ . 1 . 2]" 1
956 1 57 TYR QE 1 58 ASN HA . . 4.400 4.271 4.042 4.444 0.044 8 0 "[ . 1 . 2]" 1
957 1 57 TYR QE 1 58 ASN HB2 . . 4.720 4.228 3.788 4.755 0.035 8 0 "[ . 1 . 2]" 1
958 1 58 ASN H 1 58 ASN HB2 . . 3.710 2.355 2.197 2.493 . 0 0 "[ . 1 . 2]" 1
959 1 58 ASN H 1 58 ASN HB3 . . 4.090 2.593 2.422 3.531 . 0 0 "[ . 1 . 2]" 1
960 1 58 ASN H 1 59 ILE H . . 3.500 2.886 2.836 2.930 . 0 0 "[ . 1 . 2]" 1
961 1 58 ASN H 1 59 ILE MG . . 5.120 4.491 4.407 4.587 . 0 0 "[ . 1 . 2]" 1
962 1 58 ASN H 1 60 LEU QD . . 5.500 5.006 4.846 5.277 . 0 0 "[ . 1 . 2]" 1
963 1 58 ASN HA 1 60 LEU H . . 4.560 4.048 3.809 4.222 . 0 0 "[ . 1 . 2]" 1
964 1 59 ILE H 1 59 ILE MD . . 4.380 3.776 3.717 3.885 . 0 0 "[ . 1 . 2]" 1
965 1 59 ILE H 1 59 ILE HG12 . . 3.730 2.206 2.044 3.335 . 0 0 "[ . 1 . 2]" 1
966 1 59 ILE H 1 59 ILE QG . . 3.150 2.110 2.013 2.189 . 0 0 "[ . 1 . 2]" 1
967 1 59 ILE H 1 59 ILE HG13 . . 3.730 3.062 2.203 3.390 . 0 0 "[ . 1 . 2]" 1
968 1 59 ILE H 1 59 ILE MG . . 3.550 2.549 2.372 2.874 . 0 0 "[ . 1 . 2]" 1
969 1 59 ILE H 1 60 LEU H . . 3.240 2.452 2.259 2.575 . 0 0 "[ . 1 . 2]" 1
970 1 59 ILE H 1 60 LEU QD . . 4.790 4.298 4.017 4.513 . 0 0 "[ . 1 . 2]" 1
971 1 59 ILE H 1 60 LEU HG . . 4.760 3.768 3.341 4.063 . 0 0 "[ . 1 . 2]" 1
972 1 59 ILE HA 1 59 ILE HG12 . . 4.150 3.824 3.774 4.190 0.040 6 0 "[ . 1 . 2]" 1
973 1 59 ILE HA 1 59 ILE QG . . 3.650 3.360 3.338 3.450 . 0 0 "[ . 1 . 2]" 1
974 1 59 ILE HA 1 59 ILE HG13 . . 4.150 3.727 3.671 3.752 . 0 0 "[ . 1 . 2]" 1
975 1 59 ILE HA 1 59 ILE MG . . 3.080 2.303 2.278 2.332 . 0 0 "[ . 1 . 2]" 1
976 1 59 ILE HB 1 59 ILE MD . . 3.370 2.408 2.223 2.480 . 0 0 "[ . 1 . 2]" 1
977 1 59 ILE HB 1 60 LEU QD . . 4.430 4.272 4.045 4.488 0.058 6 0 "[ . 1 . 2]" 1
978 1 59 ILE QG 1 60 LEU H . . 4.000 2.975 2.628 3.497 . 0 0 "[ . 1 . 2]" 1
979 1 59 ILE HG12 1 60 LEU H . . 4.710 3.564 2.951 4.782 0.072 6 0 "[ . 1 . 2]" 1
980 1 59 ILE HG13 1 60 LEU H . . 4.710 3.218 2.760 3.745 . 0 0 "[ . 1 . 2]" 1
981 1 60 LEU H 1 60 LEU HB2 . . 3.430 2.521 2.430 2.618 . 0 0 "[ . 1 . 2]" 1
982 1 60 LEU H 1 60 LEU HB3 . . 3.840 3.674 3.606 3.753 . 0 0 "[ . 1 . 2]" 1
983 1 60 LEU H 1 60 LEU QD . . 3.690 3.288 3.144 3.478 . 0 0 "[ . 1 . 2]" 1
984 1 60 LEU H 1 60 LEU HG . . 3.500 2.644 2.457 2.943 . 0 0 "[ . 1 . 2]" 1
985 1 60 LEU HA 1 61 THR H . . 3.250 2.277 2.161 2.377 . 0 0 "[ . 1 . 2]" 1
986 1 60 LEU HB2 1 61 THR H . . 4.260 3.820 3.612 4.405 0.145 3 0 "[ . 1 . 2]" 1
987 1 60 LEU HB3 1 61 THR H . . 3.950 2.783 2.463 3.889 . 0 0 "[ . 1 . 2]" 1
988 1 60 LEU QD 1 61 THR H . . 4.340 3.524 3.311 3.882 . 0 0 "[ . 1 . 2]" 1
989 1 61 THR H 1 61 THR HB . . 4.090 3.803 3.618 3.914 . 0 0 "[ . 1 . 2]" 1
990 1 61 THR H 1 61 THR MG . . 4.130 3.439 2.912 3.668 . 0 0 "[ . 1 . 2]" 1
991 1 61 THR HA 1 61 THR MG . . 3.640 2.257 2.198 2.320 . 0 0 "[ . 1 . 2]" 1
992 1 61 THR HA 1 62 PRO HD2 . . 3.420 2.464 2.354 2.586 . 0 0 "[ . 1 . 2]" 1
993 1 61 THR HA 1 62 PRO QD . . 2.900 2.232 2.167 2.275 . 0 0 "[ . 1 . 2]" 1
994 1 61 THR HA 1 62 PRO HD3 . . 3.420 2.564 2.341 2.648 . 0 0 "[ . 1 . 2]" 1
995 1 61 THR HA 1 62 PRO QG . . 4.430 4.152 4.084 4.193 . 0 0 "[ . 1 . 2]" 1
996 1 61 THR MG 1 62 PRO QD . . 3.610 2.627 2.376 2.948 . 0 0 "[ . 1 . 2]" 1
997 1 62 PRO HA 1 63 TYR H . . 3.430 2.436 2.299 3.173 . 0 0 "[ . 1 . 2]" 1
998 1 63 TYR H 1 63 TYR HB2 . . 3.930 2.991 2.791 3.115 . 0 0 "[ . 1 . 2]" 1
999 1 63 TYR H 1 63 TYR HB3 . . 3.930 2.812 2.651 3.721 . 0 0 "[ . 1 . 2]" 1
1000 1 63 TYR HA 1 63 TYR QD . . 3.810 2.323 2.101 2.997 . 0 0 "[ . 1 . 2]" 1
1001 1 63 TYR HA 1 64 PRO HD2 . . 3.680 2.161 2.108 2.212 . 0 0 "[ . 1 . 2]" 1
1002 1 63 TYR HA 1 64 PRO QD . . 3.110 2.105 2.061 2.151 . 0 0 "[ . 1 . 2]" 1
1003 1 63 TYR HA 1 64 PRO HD3 . . 3.680 2.904 2.792 3.027 . 0 0 "[ . 1 . 2]" 1
1004 1 63 TYR QD 1 64 PRO HD2 . . 4.940 3.599 3.218 4.142 . 0 0 "[ . 1 . 2]" 1
1005 1 63 TYR QD 1 64 PRO HD3 . . 4.940 4.789 4.596 4.999 0.059 14 0 "[ . 1 . 2]" 1
1006 1 63 TYR QE 1 65 ALA MB . . 4.730 3.620 2.598 4.768 0.038 18 0 "[ . 1 . 2]" 1
1007 1 64 PRO HA 1 65 ALA H . . 3.480 2.573 2.143 3.522 0.042 14 0 "[ . 1 . 2]" 1
1008 1 64 PRO HA 1 65 ALA MB . . 4.760 4.163 3.716 4.504 . 0 0 "[ . 1 . 2]" 1
1009 1 65 ALA MB 1 66 ALA H . . 5.170 3.145 2.243 3.762 . 0 0 "[ . 1 . 2]" 1
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