NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556849 |
2lpv   |
18278 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lpv
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 1757
_Distance_constraint_stats_list.Viol_count 1392
_Distance_constraint_stats_list.Viol_total 778.256
_Distance_constraint_stats_list.Viol_max 0.333
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0280
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 0.119 0.044 8 0 "[ . 1 . 2]"
1 3 VAL 0.121 0.032 8 0 "[ . 1 . 2]"
1 4 GLN 0.015 0.009 8 0 "[ . 1 . 2]"
1 5 VAL 0.002 0.002 10 0 "[ . 1 . 2]"
1 6 VAL 0.103 0.042 14 0 "[ . 1 . 2]"
1 7 THR 0.273 0.028 8 0 "[ . 1 . 2]"
1 8 LEU 0.901 0.102 7 0 "[ . 1 . 2]"
1 9 ALA 0.124 0.018 1 0 "[ . 1 . 2]"
1 10 ALA 0.216 0.020 8 0 "[ . 1 . 2]"
1 11 GLY 0.166 0.017 8 0 "[ . 1 . 2]"
1 12 ASP 0.122 0.021 1 0 "[ . 1 . 2]"
1 13 GLU 0.147 0.025 17 0 "[ . 1 . 2]"
1 14 ALA 0.092 0.013 5 0 "[ . 1 . 2]"
1 15 THR 0.708 0.044 3 0 "[ . 1 . 2]"
1 16 TYR 0.021 0.009 5 0 "[ . 1 . 2]"
1 17 PRO 0.281 0.159 3 0 "[ . 1 . 2]"
1 18 LYS 0.011 0.011 12 0 "[ . 1 . 2]"
1 19 ALA 0.109 0.014 1 0 "[ . 1 . 2]"
1 20 GLY 0.174 0.018 14 0 "[ . 1 . 2]"
1 21 GLN 0.747 0.165 19 0 "[ . 1 . 2]"
1 22 VAL 0.212 0.028 8 0 "[ . 1 . 2]"
1 23 ALA 1.194 0.165 19 0 "[ . 1 . 2]"
1 24 VAL 0.357 0.038 16 0 "[ . 1 . 2]"
1 25 VAL 2.809 0.148 16 0 "[ . 1 . 2]"
1 26 HIS 0.302 0.060 14 0 "[ . 1 . 2]"
1 27 TYR 0.882 0.042 11 0 "[ . 1 . 2]"
1 28 THR 0.251 0.037 20 0 "[ . 1 . 2]"
1 29 GLY 2.009 0.161 20 0 "[ . 1 . 2]"
1 30 THR 1.131 0.065 6 0 "[ . 1 . 2]"
1 31 LEU 0.223 0.014 12 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.759 0.065 6 0 "[ . 1 . 2]"
1 35 LYS 0.205 0.018 12 0 "[ . 1 . 2]"
1 36 VAL 0.614 0.082 15 0 "[ . 1 . 2]"
1 37 PHE 0.365 0.026 3 0 "[ . 1 . 2]"
1 38 ASP 0.371 0.029 7 0 "[ . 1 . 2]"
1 39 SER 0.196 0.082 15 0 "[ . 1 . 2]"
1 40 SER 0.192 0.039 3 0 "[ . 1 . 2]"
1 41 ARG 0.701 0.042 11 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.203 0.081 3 0 "[ . 1 . 2]"
1 44 GLY 0.125 0.081 3 0 "[ . 1 . 2]"
1 45 LYS 0.202 0.036 17 0 "[ . 1 . 2]"
1 46 PRO 0.392 0.051 12 0 "[ . 1 . 2]"
1 47 PHE 0.342 0.043 7 0 "[ . 1 . 2]"
1 48 ARG 0.902 0.150 19 0 "[ . 1 . 2]"
1 49 PHE 0.683 0.042 9 0 "[ . 1 . 2]"
1 50 THR 0.206 0.088 11 0 "[ . 1 . 2]"
1 51 VAL 0.984 0.122 11 0 "[ . 1 . 2]"
1 52 GLY 0.177 0.088 11 0 "[ . 1 . 2]"
1 53 ARG 0.174 0.018 14 0 "[ . 1 . 2]"
1 54 GLY 0.082 0.012 11 0 "[ . 1 . 2]"
1 55 GLU 0.118 0.023 19 0 "[ . 1 . 2]"
1 56 VAL 0.262 0.025 11 0 "[ . 1 . 2]"
1 57 ILE 0.277 0.025 11 0 "[ . 1 . 2]"
1 58 ARG 0.460 0.063 8 0 "[ . 1 . 2]"
1 59 GLY 1.102 0.074 8 0 "[ . 1 . 2]"
1 60 TRP 2.828 0.127 14 0 "[ . 1 . 2]"
1 61 ASP 0.987 0.122 11 0 "[ . 1 . 2]"
1 62 GLU 0.684 0.160 16 0 "[ . 1 . 2]"
1 63 GLY 0.299 0.160 16 0 "[ . 1 . 2]"
1 64 VAL 2.459 0.159 3 0 "[ . 1 . 2]"
1 65 ALA 0.400 0.197 20 0 "[ . 1 . 2]"
1 66 GLN 0.136 0.027 1 0 "[ . 1 . 2]"
1 67 MET 0.915 0.197 20 0 "[ . 1 . 2]"
1 68 SER 0.670 0.039 18 0 "[ . 1 . 2]"
1 69 VAL 0.538 0.044 3 0 "[ . 1 . 2]"
1 70 GLY 0.041 0.014 7 0 "[ . 1 . 2]"
1 71 GLN 0.872 0.026 13 0 "[ . 1 . 2]"
1 72 ARG 0.514 0.028 8 0 "[ . 1 . 2]"
1 73 ALA 0.212 0.026 1 0 "[ . 1 . 2]"
1 74 LYS 0.281 0.042 14 0 "[ . 1 . 2]"
1 75 LEU 1.648 0.111 20 0 "[ . 1 . 2]"
1 76 VAL 0.142 0.039 10 0 "[ . 1 . 2]"
1 77 CYS 0.286 0.063 8 0 "[ . 1 . 2]"
1 78 SER 0.200 0.099 19 0 "[ . 1 . 2]"
1 79 PRO 0.605 0.047 16 0 "[ . 1 . 2]"
1 80 ASP 0.004 0.004 15 0 "[ . 1 . 2]"
1 81 TYR 1.409 0.074 8 0 "[ . 1 . 2]"
1 82 ALA 0.850 0.047 16 0 "[ . 1 . 2]"
1 83 TYR 0.824 0.050 5 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.245 0.064 12 0 "[ . 1 . 2]"
1 86 ARG 0.177 0.039 5 0 "[ . 1 . 2]"
1 87 GLY 2.418 0.195 19 0 "[ . 1 . 2]"
1 88 HIS 2.788 0.195 19 0 "[ . 1 . 2]"
1 89 PRO 0.258 0.068 5 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.041 0.016 7 0 "[ . 1 . 2]"
1 92 ILE 2.060 0.068 8 0 "[ . 1 . 2]"
1 93 PRO 1.468 0.068 8 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASN 0.570 0.064 12 0 "[ . 1 . 2]"
1 96 ALA 0.105 0.045 2 0 "[ . 1 . 2]"
1 97 THR 0.185 0.099 19 0 "[ . 1 . 2]"
1 98 LEU 0.675 0.093 3 0 "[ . 1 . 2]"
1 99 THR 0.521 0.069 2 0 "[ . 1 . 2]"
1 100 PHE 2.804 0.161 20 0 "[ . 1 . 2]"
1 101 ASP 1.430 0.121 9 0 "[ . 1 . 2]"
1 102 VAL 1.362 0.091 18 0 "[ . 1 . 2]"
1 103 GLU 1.127 0.123 10 0 "[ . 1 . 2]"
1 104 LEU 6.930 0.333 17 0 "[ . 1 . 2]"
1 105 LEU 6.288 0.333 17 0 "[ . 1 . 2]"
1 106 ARG 2.777 0.148 16 0 "[ . 1 . 2]"
1 107 VAL 0.261 0.030 17 0 "[ . 1 . 2]"
1 108 GLU 0.195 0.029 12 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 59 GLY H 1 60 TRP H . . 3.740 3.074 3.028 3.097 . 0 0 "[ . 1 . 2]" 1
2 1 59 GLY H 1 81 TYR HA . . 4.460 4.330 4.176 4.468 0.008 8 0 "[ . 1 . 2]" 1
3 1 59 GLY H 1 81 TYR QB . . 3.340 2.651 2.600 2.766 . 0 0 "[ . 1 . 2]" 1
4 1 57 ILE HB 1 59 GLY H . . 3.970 2.883 2.803 2.996 . 0 0 "[ . 1 . 2]" 1
5 1 58 ARG HB2 1 59 GLY H . . 4.010 2.502 2.395 2.577 . 0 0 "[ . 1 . 2]" 1
6 1 57 ILE HG13 1 59 GLY H . . 4.080 3.387 3.317 3.528 . 0 0 "[ . 1 . 2]" 1
7 1 57 ILE HG12 1 59 GLY H . . 5.030 4.708 4.658 4.780 . 0 0 "[ . 1 . 2]" 1
8 1 57 ILE MG 1 59 GLY H . . 4.660 4.453 4.389 4.539 . 0 0 "[ . 1 . 2]" 1
9 1 59 GLY H 1 81 TYR QD . . 4.000 3.966 3.918 4.012 0.012 16 0 "[ . 1 . 2]" 1
10 1 22 VAL H 1 108 GLU H . . 4.500 4.210 3.933 4.472 . 0 0 "[ . 1 . 2]" 1
11 1 107 VAL H 1 108 GLU H . . 4.430 4.399 4.293 4.459 0.029 12 0 "[ . 1 . 2]" 1
12 1 24 VAL H 1 108 GLU H . . 4.900 4.400 4.112 4.816 . 0 0 "[ . 1 . 2]" 1
13 1 107 VAL HA 1 108 GLU H . . 3.060 2.236 2.171 2.301 . 0 0 "[ . 1 . 2]" 1
14 1 107 VAL MG1 1 108 GLU H . . 4.100 3.341 2.127 3.870 . 0 0 "[ . 1 . 2]" 1
15 1 107 VAL MG2 1 108 GLU H . . 4.100 2.589 1.900 3.926 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL H 1 6 VAL H . . 4.490 4.248 4.023 4.400 . 0 0 "[ . 1 . 2]" 1
17 1 49 PHE QD 1 51 VAL H . . 4.780 3.877 3.741 4.036 . 0 0 "[ . 1 . 2]" 1
18 1 6 VAL H 1 75 LEU HA . . 4.280 3.985 3.903 4.092 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL HA 1 6 VAL H . . 3.000 2.146 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
20 1 50 THR HA 1 51 VAL H . . 2.760 2.152 2.142 2.169 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL H 1 6 VAL HB . . 3.200 2.669 2.588 2.814 . 0 0 "[ . 1 . 2]" 1
22 1 51 VAL H 1 51 VAL HB . . 3.680 2.723 2.658 3.611 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL H 1 74 LYS QB . . 4.120 3.323 2.914 4.162 0.042 14 0 "[ . 1 . 2]" 1
24 1 6 VAL H 1 73 ALA MB . . 3.730 3.082 2.858 3.274 . 0 0 "[ . 1 . 2]" 1
25 1 6 VAL H 1 6 VAL MG2 . . 3.060 2.426 2.168 2.582 . 0 0 "[ . 1 . 2]" 1
26 1 51 VAL H 1 51 VAL MG1 . . 3.910 3.682 2.242 3.761 . 0 0 "[ . 1 . 2]" 1
27 1 23 ALA H 1 51 VAL H . . 4.040 3.642 3.097 4.053 0.013 12 0 "[ . 1 . 2]" 1
28 1 49 PHE QE 1 51 VAL H . . 4.950 4.390 4.170 4.575 . 0 0 "[ . 1 . 2]" 1
29 1 72 ARG HA 1 73 ALA H . . 2.960 2.180 2.167 2.189 . 0 0 "[ . 1 . 2]" 1
30 1 71 GLN QB 1 73 ALA H . . 5.500 5.499 5.384 5.515 0.015 4 0 "[ . 1 . 2]" 1
31 1 72 ARG HG3 1 73 ALA H . . 3.810 2.788 2.402 3.819 0.009 10 0 "[ . 1 . 2]" 1
32 1 8 LEU MD1 1 73 ALA H . . 4.280 3.156 2.809 3.381 . 0 0 "[ . 1 . 2]" 1
33 1 73 ALA H 1 104 LEU H . . 5.260 4.988 4.820 5.097 . 0 0 "[ . 1 . 2]" 1
34 1 73 ALA H 1 73 ALA MB . . 3.360 2.763 2.719 2.789 . 0 0 "[ . 1 . 2]" 1
35 1 25 VAL H 1 105 LEU H . . 4.910 4.665 4.562 4.762 . 0 0 "[ . 1 . 2]" 1
36 1 26 HIS H 1 105 LEU H . . 4.560 4.504 4.382 4.588 0.028 9 0 "[ . 1 . 2]" 1
37 1 25 VAL HA 1 105 LEU H . . 3.550 2.481 2.334 2.627 . 0 0 "[ . 1 . 2]" 1
38 1 104 LEU HA 1 105 LEU H . . 3.260 2.162 2.152 2.167 . 0 0 "[ . 1 . 2]" 1
39 1 105 LEU H 1 106 ARG HA . . 5.020 4.545 4.506 4.615 . 0 0 "[ . 1 . 2]" 1
40 1 25 VAL HB 1 105 LEU H . . 4.350 3.842 3.777 3.905 . 0 0 "[ . 1 . 2]" 1
41 1 105 LEU H 1 105 LEU HB2 . . 3.370 2.355 2.326 2.404 . 0 0 "[ . 1 . 2]" 1
42 1 105 LEU H 1 105 LEU HB3 . . 3.700 3.513 3.375 3.612 . 0 0 "[ . 1 . 2]" 1
43 1 104 LEU HG 1 105 LEU H . . 4.180 4.479 4.452 4.513 0.333 17 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 73 ALA HA . . 3.460 2.414 2.149 2.634 . 0 0 "[ . 1 . 2]" 1
45 1 7 THR HA 1 8 LEU H . . 3.190 2.162 2.142 2.204 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU H 1 8 LEU HG . . 3.610 2.880 2.663 3.075 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU H 1 8 LEU MD1 . . 3.830 3.549 3.230 3.724 . 0 0 "[ . 1 . 2]" 1
48 1 23 ALA H 1 24 VAL H . . 4.650 4.368 4.217 4.505 . 0 0 "[ . 1 . 2]" 1
49 1 23 ALA H 1 48 ARG HA . . 4.720 4.398 4.218 4.719 . 0 0 "[ . 1 . 2]" 1
50 1 22 VAL HA 1 23 ALA H . . 2.790 2.195 2.140 2.283 . 0 0 "[ . 1 . 2]" 1
51 1 21 GLN HB3 1 23 ALA H . . 5.500 5.451 5.072 5.665 0.165 19 0 "[ . 1 . 2]" 1
52 1 23 ALA H 1 48 ARG HB2 . . 4.780 4.224 3.210 4.748 . 0 0 "[ . 1 . 2]" 1
53 1 22 VAL MG2 1 23 ALA H . . 4.380 3.544 2.274 4.188 . 0 0 "[ . 1 . 2]" 1
54 1 23 ALA H 1 23 ALA MB . . 3.440 2.540 2.294 2.718 . 0 0 "[ . 1 . 2]" 1
55 1 97 THR HA 1 98 LEU H . . 3.110 2.213 2.157 2.256 . 0 0 "[ . 1 . 2]" 1
56 1 79 PRO QD 1 98 LEU H . . 4.480 4.055 3.859 4.186 . 0 0 "[ . 1 . 2]" 1
57 1 98 LEU H 1 98 LEU HB2 . . 3.920 2.784 2.459 2.916 . 0 0 "[ . 1 . 2]" 1
58 1 82 ALA MB 1 98 LEU H . . 5.110 4.943 4.437 5.119 0.009 13 0 "[ . 1 . 2]" 1
59 1 97 THR MG 1 98 LEU H . . 3.330 2.385 2.118 3.416 0.086 19 0 "[ . 1 . 2]" 1
60 1 98 LEU H 1 98 LEU MD2 . . 4.560 3.832 3.316 4.653 0.093 3 0 "[ . 1 . 2]" 1
61 1 27 TYR HA 1 103 GLU H . . 4.080 3.900 3.840 3.981 . 0 0 "[ . 1 . 2]" 1
62 1 25 VAL HA 1 103 GLU H . . 4.700 4.498 4.384 4.661 . 0 0 "[ . 1 . 2]" 1
63 1 102 VAL HA 1 103 GLU H . . 2.940 2.181 2.150 2.205 . 0 0 "[ . 1 . 2]" 1
64 1 103 GLU H 1 104 LEU HA . . 4.960 4.680 4.614 4.783 . 0 0 "[ . 1 . 2]" 1
65 1 25 VAL HB 1 103 GLU H . . 4.080 2.974 2.870 3.127 . 0 0 "[ . 1 . 2]" 1
66 1 103 GLU H 1 103 GLU HB2 . . 3.790 3.349 3.190 3.847 0.057 8 0 "[ . 1 . 2]" 1
67 1 67 MET ME 1 103 GLU H . . 4.340 3.695 3.433 4.452 0.112 20 0 "[ . 1 . 2]" 1
68 1 103 GLU H 1 103 GLU HB3 . . 3.790 2.690 2.565 3.125 . 0 0 "[ . 1 . 2]" 1
69 1 25 VAL MG2 1 103 GLU H . . 5.140 3.086 2.890 3.342 . 0 0 "[ . 1 . 2]" 1
70 1 25 VAL MG1 1 103 GLU H . . 5.140 4.464 4.366 4.581 . 0 0 "[ . 1 . 2]" 1
71 1 25 VAL HA 1 104 LEU H . . 5.230 4.912 4.815 5.079 . 0 0 "[ . 1 . 2]" 1
72 1 72 ARG HA 1 104 LEU H . . 3.870 3.507 3.391 3.602 . 0 0 "[ . 1 . 2]" 1
73 1 103 GLU HA 1 104 LEU H . . 3.000 2.151 2.141 2.173 . 0 0 "[ . 1 . 2]" 1
74 1 71 GLN HA 1 104 LEU H . . 5.230 4.999 4.878 5.070 . 0 0 "[ . 1 . 2]" 1
75 1 104 LEU H 1 104 LEU HB2 . . 3.530 2.180 2.170 2.190 . 0 0 "[ . 1 . 2]" 1
76 1 67 MET ME 1 104 LEU H . . 3.310 2.076 1.890 2.322 . 0 0 "[ . 1 . 2]" 1
77 1 104 LEU H 1 104 LEU HG . . 4.570 4.586 4.575 4.611 0.041 4 0 "[ . 1 . 2]" 1
78 1 104 LEU H 1 104 LEU HB3 . . 3.530 2.898 2.886 2.910 . 0 0 "[ . 1 . 2]" 1
79 1 104 LEU H 1 104 LEU MD1 . . 5.100 4.185 4.140 4.203 . 0 0 "[ . 1 . 2]" 1
80 1 73 ALA H 1 102 VAL H . . 3.570 3.465 3.200 3.596 0.026 1 0 "[ . 1 . 2]" 1
81 1 74 LYS H 1 102 VAL H . . 5.080 4.916 4.853 5.015 . 0 0 "[ . 1 . 2]" 1
82 1 104 LEU H 1 105 LEU H . . 4.820 4.563 4.544 4.571 . 0 0 "[ . 1 . 2]" 1
83 1 101 ASP H 1 102 VAL H . . 4.520 4.446 4.384 4.513 . 0 0 "[ . 1 . 2]" 1
84 1 28 THR H 1 102 VAL H . . 5.190 4.843 4.754 4.946 . 0 0 "[ . 1 . 2]" 1
85 1 72 ARG HA 1 102 VAL H . . 5.500 5.140 4.839 5.305 . 0 0 "[ . 1 . 2]" 1
86 1 74 LYS HA 1 102 VAL H . . 3.700 3.134 2.996 3.291 . 0 0 "[ . 1 . 2]" 1
87 1 101 ASP HA 1 102 VAL H . . 2.810 2.142 2.139 2.150 . 0 0 "[ . 1 . 2]" 1
88 1 69 VAL HA 1 104 LEU H . . 5.500 4.920 4.857 5.174 . 0 0 "[ . 1 . 2]" 1
89 1 101 ASP HB2 1 102 VAL H . . 4.560 4.403 4.045 4.582 0.022 20 0 "[ . 1 . 2]" 1
90 1 101 ASP HB3 1 102 VAL H . . 4.560 3.964 3.422 4.515 . 0 0 "[ . 1 . 2]" 1
91 1 102 VAL H 1 102 VAL HB . . 3.830 2.846 2.518 3.638 . 0 0 "[ . 1 . 2]" 1
92 1 73 ALA MB 1 102 VAL H . . 4.410 4.282 4.176 4.353 . 0 0 "[ . 1 . 2]" 1
93 1 8 LEU MD1 1 102 VAL H . . 4.340 4.290 4.050 4.374 0.034 2 0 "[ . 1 . 2]" 1
94 1 104 LEU H 1 104 LEU MD2 . . 5.100 3.501 3.479 3.533 . 0 0 "[ . 1 . 2]" 1
95 1 4 GLN H 1 76 VAL H . . 3.590 3.284 3.133 3.356 . 0 0 "[ . 1 . 2]" 1
96 1 3 VAL HA 1 4 GLN H . . 2.810 2.160 2.143 2.281 . 0 0 "[ . 1 . 2]" 1
97 1 4 GLN H 1 4 GLN HB3 . . 3.690 3.382 3.099 3.565 . 0 0 "[ . 1 . 2]" 1
98 1 3 VAL MG2 1 4 GLN H . . 3.170 2.443 1.922 2.647 . 0 0 "[ . 1 . 2]" 1
99 1 35 LYS H 1 36 VAL H . . 4.830 4.474 4.428 4.550 . 0 0 "[ . 1 . 2]" 1
100 1 35 LYS HA 1 36 VAL H . . 2.670 2.143 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
101 1 36 VAL H 1 36 VAL HB . . 2.860 2.504 2.447 2.560 . 0 0 "[ . 1 . 2]" 1
102 1 35 LYS HG2 1 36 VAL H . . 5.020 4.290 3.481 4.795 . 0 0 "[ . 1 . 2]" 1
103 1 35 LYS HG3 1 36 VAL H . . 5.020 4.087 2.985 5.038 0.018 12 0 "[ . 1 . 2]" 1
104 1 77 CYS H 1 100 PHE H . . 4.610 4.234 4.118 4.302 . 0 0 "[ . 1 . 2]" 1
105 1 4 GLN H 1 77 CYS H . . 4.820 4.525 4.412 4.764 . 0 0 "[ . 1 . 2]" 1
106 1 77 CYS H 1 77 CYS HB3 . . 3.820 3.145 2.787 3.270 . 0 0 "[ . 1 . 2]" 1
107 1 75 LEU HB3 1 77 CYS H . . 5.460 5.025 4.766 5.167 . 0 0 "[ . 1 . 2]" 1
108 1 77 CYS H 1 98 LEU HB2 . . 5.500 4.295 4.040 4.701 . 0 0 "[ . 1 . 2]" 1
109 1 77 CYS H 1 98 LEU HB3 . . 5.500 5.419 4.937 5.536 0.036 8 0 "[ . 1 . 2]" 1
110 1 76 VAL H 1 77 CYS H . . 4.340 4.192 4.169 4.227 . 0 0 "[ . 1 . 2]" 1
111 1 77 CYS H 1 98 LEU H . . 3.940 3.544 3.454 3.709 . 0 0 "[ . 1 . 2]" 1
112 1 77 CYS H 1 99 THR HA . . 3.750 3.352 3.186 3.468 . 0 0 "[ . 1 . 2]" 1
113 1 76 VAL HA 1 77 CYS H . . 2.970 2.178 2.169 2.187 . 0 0 "[ . 1 . 2]" 1
114 1 77 CYS H 1 77 CYS HB2 . . 3.820 3.755 2.977 3.826 0.006 13 0 "[ . 1 . 2]" 1
115 1 77 CYS H 1 82 ALA MB . . 5.300 5.148 4.829 5.289 . 0 0 "[ . 1 . 2]" 1
116 1 76 VAL MG2 1 77 CYS H . . 4.320 3.099 2.971 3.242 . 0 0 "[ . 1 . 2]" 1
117 1 76 VAL MG1 1 77 CYS H . . 4.320 4.207 4.204 4.211 . 0 0 "[ . 1 . 2]" 1
118 1 75 LEU H 1 76 VAL H . . 4.300 4.054 3.994 4.133 . 0 0 "[ . 1 . 2]" 1
119 1 76 VAL H 1 100 PHE H . . 5.140 4.902 4.782 5.032 . 0 0 "[ . 1 . 2]" 1
120 1 75 LEU HA 1 76 VAL H . . 2.860 2.215 2.210 2.221 . 0 0 "[ . 1 . 2]" 1
121 1 3 VAL HA 1 76 VAL H . . 5.500 4.947 4.881 5.025 . 0 0 "[ . 1 . 2]" 1
122 1 76 VAL H 1 77 CYS HA . . 5.500 5.131 5.101 5.151 . 0 0 "[ . 1 . 2]" 1
123 1 76 VAL H 1 76 VAL HB . . 3.240 2.996 2.972 3.032 . 0 0 "[ . 1 . 2]" 1
124 1 75 LEU HB3 1 76 VAL H . . 4.540 4.329 4.208 4.383 . 0 0 "[ . 1 . 2]" 1
125 1 4 GLN H 1 5 VAL H . . 4.600 4.456 4.356 4.491 . 0 0 "[ . 1 . 2]" 1
126 1 4 GLN HA 1 5 VAL H . . 2.800 2.236 2.183 2.256 . 0 0 "[ . 1 . 2]" 1
127 1 6 VAL HA 1 7 THR H . . 3.110 2.188 2.146 2.221 . 0 0 "[ . 1 . 2]" 1
128 1 5 VAL H 1 6 VAL HA . . 5.240 4.844 4.682 5.021 . 0 0 "[ . 1 . 2]" 1
129 1 7 THR H 1 7 THR HB . . 3.440 2.828 2.622 2.905 . 0 0 "[ . 1 . 2]" 1
130 1 5 VAL H 1 5 VAL HB . . 3.270 2.982 2.653 3.193 . 0 0 "[ . 1 . 2]" 1
131 1 7 THR H 1 7 THR MG . . 4.030 3.718 3.689 3.765 . 0 0 "[ . 1 . 2]" 1
132 1 6 VAL MG1 1 7 THR H . . 3.430 3.171 2.942 3.388 . 0 0 "[ . 1 . 2]" 1
133 1 100 PHE H 1 101 ASP H . . 4.510 4.373 4.330 4.418 . 0 0 "[ . 1 . 2]" 1
134 1 47 PHE H 1 48 ARG H . . 4.490 4.440 4.338 4.508 0.018 3 0 "[ . 1 . 2]" 1
135 1 28 THR H 1 101 ASP H . . 3.570 2.978 2.740 3.154 . 0 0 "[ . 1 . 2]" 1
136 1 100 PHE QD 1 101 ASP H . . 4.480 4.323 3.956 4.512 0.032 3 0 "[ . 1 . 2]" 1
137 1 81 TYR QD 1 82 ALA H . . 4.840 4.511 4.462 4.581 . 0 0 "[ . 1 . 2]" 1
138 1 27 TYR HA 1 101 ASP H . . 5.020 4.827 4.541 5.016 . 0 0 "[ . 1 . 2]" 1
139 1 100 PHE HA 1 101 ASP H . . 2.990 2.139 2.137 2.144 . 0 0 "[ . 1 . 2]" 1
140 1 47 PHE HA 1 48 ARG H . . 2.920 2.162 2.139 2.272 . 0 0 "[ . 1 . 2]" 1
141 1 24 VAL HA 1 48 ARG H . . 4.580 4.425 4.159 4.570 . 0 0 "[ . 1 . 2]" 1
142 1 28 THR HB 1 101 ASP H . . 4.180 3.003 2.822 3.123 . 0 0 "[ . 1 . 2]" 1
143 1 79 PRO QD 1 82 ALA H . . 5.500 5.527 5.504 5.547 0.047 16 0 "[ . 1 . 2]" 1
144 1 47 PHE HB2 1 48 ARG H . . 4.470 4.376 4.090 4.479 0.009 9 0 "[ . 1 . 2]" 1
145 1 47 PHE HB3 1 48 ARG H . . 4.470 3.973 3.666 4.162 . 0 0 "[ . 1 . 2]" 1
146 1 48 ARG H 1 49 PHE HB3 . . 5.500 4.687 4.508 4.862 . 0 0 "[ . 1 . 2]" 1
147 1 81 TYR QB 1 82 ALA H . . 3.790 3.614 3.577 3.643 . 0 0 "[ . 1 . 2]" 1
148 1 101 ASP H 1 101 ASP HB2 . . 3.740 2.400 2.085 3.040 . 0 0 "[ . 1 . 2]" 1
149 1 101 ASP H 1 101 ASP HB3 . . 3.740 2.985 2.150 3.577 . 0 0 "[ . 1 . 2]" 1
150 1 6 VAL HB 1 7 THR H . . 4.710 4.352 4.235 4.410 . 0 0 "[ . 1 . 2]" 1
151 1 57 ILE HB 1 82 ALA H . . 5.180 4.538 4.450 4.620 . 0 0 "[ . 1 . 2]" 1
152 1 79 PRO QB 1 82 ALA H . . 5.500 4.506 4.451 4.582 . 0 0 "[ . 1 . 2]" 1
153 1 82 ALA H 1 82 ALA MB . . 3.270 2.713 2.666 2.750 . 0 0 "[ . 1 . 2]" 1
154 1 48 ARG H 1 48 ARG HB3 . . 3.200 3.040 2.731 3.196 . 0 0 "[ . 1 . 2]" 1
155 1 28 THR MG 1 101 ASP H . . 4.420 3.824 3.389 4.244 . 0 0 "[ . 1 . 2]" 1
156 1 99 THR MG 1 101 ASP H . . 4.500 4.231 4.020 4.395 . 0 0 "[ . 1 . 2]" 1
157 1 8 LEU MD1 1 101 ASP H . . 5.500 5.508 5.359 5.602 0.102 7 0 "[ . 1 . 2]" 1
158 1 57 ILE MG 1 82 ALA H . . 4.920 4.567 4.392 4.687 . 0 0 "[ . 1 . 2]" 1
159 1 82 ALA H 1 83 TYR H . . 4.390 4.304 4.289 4.317 . 0 0 "[ . 1 . 2]" 1
160 1 74 LYS H 1 75 LEU H . . 4.770 4.491 4.418 4.538 . 0 0 "[ . 1 . 2]" 1
161 1 75 LEU H 1 100 PHE QD . . 5.500 5.555 5.502 5.611 0.111 20 0 "[ . 1 . 2]" 1
162 1 74 LYS HA 1 75 LEU H . . 2.830 2.164 2.142 2.193 . 0 0 "[ . 1 . 2]" 1
163 1 75 LEU H 1 101 ASP HA . . 3.980 2.670 2.487 2.860 . 0 0 "[ . 1 . 2]" 1
164 1 75 LEU H 1 76 VAL HB . . 5.470 5.342 5.214 5.491 0.021 3 0 "[ . 1 . 2]" 1
165 1 75 LEU H 1 75 LEU HB3 . . 3.340 2.734 2.609 2.982 . 0 0 "[ . 1 . 2]" 1
166 1 74 LYS QB 1 75 LEU H . . 3.350 3.182 2.988 3.369 0.019 18 0 "[ . 1 . 2]" 1
167 1 75 LEU H 1 99 THR MG . . 4.040 3.044 2.838 3.272 . 0 0 "[ . 1 . 2]" 1
168 1 57 ILE MD 1 82 ALA H . . 4.590 4.349 4.204 4.505 . 0 0 "[ . 1 . 2]" 1
169 1 9 ALA HA 1 10 ALA H . . 2.710 2.168 2.144 2.200 . 0 0 "[ . 1 . 2]" 1
170 1 10 ALA H 1 10 ALA MB . . 2.590 2.146 2.044 2.236 . 0 0 "[ . 1 . 2]" 1
171 1 7 THR MG 1 10 ALA H . . 3.810 3.521 3.364 3.750 . 0 0 "[ . 1 . 2]" 1
172 1 16 TYR H 1 16 TYR QE . . 4.730 4.657 4.431 4.739 0.009 5 0 "[ . 1 . 2]" 1
173 1 15 THR HG1 1 16 TYR H . . 5.390 4.991 4.472 5.393 0.003 9 0 "[ . 1 . 2]" 1
174 1 16 TYR H 1 68 SER HA . . 5.500 4.979 4.703 5.056 . 0 0 "[ . 1 . 2]" 1
175 1 15 THR HA 1 16 TYR H . . 2.770 2.152 2.141 2.185 . 0 0 "[ . 1 . 2]" 1
176 1 16 TYR H 1 16 TYR HB2 . . 3.990 2.571 2.510 2.648 . 0 0 "[ . 1 . 2]" 1
177 1 16 TYR H 1 16 TYR HB3 . . 3.990 3.734 3.702 3.781 . 0 0 "[ . 1 . 2]" 1
178 1 16 TYR H 1 16 TYR QD . . 3.290 2.448 2.255 2.567 . 0 0 "[ . 1 . 2]" 1
179 1 14 ALA MB 1 16 TYR H . . 5.470 5.338 5.180 5.434 . 0 0 "[ . 1 . 2]" 1
180 1 15 THR MG 1 16 TYR H . . 3.490 3.012 2.777 3.467 . 0 0 "[ . 1 . 2]" 1
181 1 58 ARG H 1 59 GLY H . . 3.830 2.855 2.831 2.875 . 0 0 "[ . 1 . 2]" 1
182 1 58 ARG H 1 60 TRP H . . 4.810 4.798 4.649 4.838 0.028 14 0 "[ . 1 . 2]" 1
183 1 57 ILE H 1 58 ARG H . . 4.680 4.572 4.561 4.580 . 0 0 "[ . 1 . 2]" 1
184 1 58 ARG H 1 82 ALA HA . . 4.240 3.985 3.670 4.256 0.016 5 0 "[ . 1 . 2]" 1
185 1 57 ILE HA 1 58 ARG H . . 3.000 2.359 2.337 2.391 . 0 0 "[ . 1 . 2]" 1
186 1 57 ILE HB 1 58 ARG H . . 3.390 2.482 2.401 2.538 . 0 0 "[ . 1 . 2]" 1
187 1 31 LEU HB2 1 32 ALA H . . 3.950 3.842 3.780 3.885 . 0 0 "[ . 1 . 2]" 1
188 1 57 ILE HG13 1 58 ARG H . . 4.480 4.034 3.971 4.064 . 0 0 "[ . 1 . 2]" 1
189 1 57 ILE MD 1 58 ARG H . . 4.220 3.919 3.730 3.997 . 0 0 "[ . 1 . 2]" 1
190 1 57 ILE HG12 1 58 ARG H . . 5.160 4.984 4.926 5.016 . 0 0 "[ . 1 . 2]" 1
191 1 57 ILE MG 1 58 ARG H . . 3.700 3.585 3.542 3.624 . 0 0 "[ . 1 . 2]" 1
192 1 31 LEU H 1 32 ALA H . . 4.800 4.560 4.553 4.570 . 0 0 "[ . 1 . 2]" 1
193 1 31 LEU HA 1 32 ALA H . . 3.520 2.371 2.354 2.403 . 0 0 "[ . 1 . 2]" 1
194 1 32 ALA H 1 33 ASP HA . . 5.280 5.263 5.235 5.270 . 0 0 "[ . 1 . 2]" 1
195 1 31 LEU HB3 1 32 ALA H . . 3.870 2.511 2.431 2.556 . 0 0 "[ . 1 . 2]" 1
196 1 32 ALA H 1 32 ALA MB . . 3.150 2.113 2.055 2.227 . 0 0 "[ . 1 . 2]" 1
197 1 72 ARG H 1 73 ALA H . . 4.610 4.393 4.338 4.439 . 0 0 "[ . 1 . 2]" 1
198 1 8 LEU H 1 72 ARG H . . 4.570 4.305 4.167 4.414 . 0 0 "[ . 1 . 2]" 1
199 1 17 PRO HA 1 18 LYS H . . 2.760 2.169 2.150 2.280 . 0 0 "[ . 1 . 2]" 1
200 1 71 GLN HA 1 72 ARG H . . 2.960 2.202 2.178 2.278 . 0 0 "[ . 1 . 2]" 1
201 1 71 GLN HG2 1 72 ARG H . . 3.910 2.308 1.996 2.446 . 0 0 "[ . 1 . 2]" 1
202 1 18 LYS H 1 21 GLN HB2 . . 3.360 2.923 2.527 3.342 . 0 0 "[ . 1 . 2]" 1
203 1 9 ALA MB 1 72 ARG H . . 3.390 3.107 2.884 3.237 . 0 0 "[ . 1 . 2]" 1
204 1 37 PHE H 1 37 PHE QD . . 3.530 3.272 3.242 3.296 . 0 0 "[ . 1 . 2]" 1
205 1 71 GLN HE21 1 72 ARG H . . 4.840 3.208 2.847 3.616 . 0 0 "[ . 1 . 2]" 1
206 1 30 THR HA 1 37 PHE H . . 3.650 3.000 2.857 3.119 . 0 0 "[ . 1 . 2]" 1
207 1 72 ARG H 1 103 GLU HA . . 4.810 4.654 4.568 4.801 . 0 0 "[ . 1 . 2]" 1
208 1 36 VAL HA 1 37 PHE H . . 3.070 2.225 2.200 2.245 . 0 0 "[ . 1 . 2]" 1
209 1 30 THR HB 1 37 PHE H . . 5.500 5.408 5.315 5.519 0.019 9 0 "[ . 1 . 2]" 1
210 1 37 PHE H 1 37 PHE HB3 . . 4.110 3.590 3.548 3.628 . 0 0 "[ . 1 . 2]" 1
211 1 37 PHE H 1 37 PHE HB2 . . 3.970 2.497 2.439 2.543 . 0 0 "[ . 1 . 2]" 1
212 1 36 VAL HB 1 37 PHE H . . 4.270 4.117 4.078 4.171 . 0 0 "[ . 1 . 2]" 1
213 1 18 LYS H 1 18 LYS HB2 . . 3.520 2.384 2.180 2.675 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS H 1 18 LYS HB3 . . 3.520 2.827 2.656 3.409 . 0 0 "[ . 1 . 2]" 1
215 1 28 THR MG 1 37 PHE H . . 4.520 3.636 3.524 3.831 . 0 0 "[ . 1 . 2]" 1
216 1 7 THR MG 1 72 ARG H . . 4.250 4.234 4.040 4.278 0.028 8 0 "[ . 1 . 2]" 1
217 1 36 VAL MG2 1 37 PHE H . . 3.450 2.066 1.986 2.182 . 0 0 "[ . 1 . 2]" 1
218 1 8 LEU MD1 1 72 ARG H . . 5.370 5.277 4.901 5.384 0.014 14 0 "[ . 1 . 2]" 1
219 1 27 TYR H 1 40 SER H . . 4.090 3.911 3.790 4.065 . 0 0 "[ . 1 . 2]" 1
220 1 29 GLY H 1 40 SER H . . 4.850 4.471 4.265 4.719 . 0 0 "[ . 1 . 2]" 1
221 1 40 SER H 1 41 ARG H . . 3.440 2.434 2.392 2.563 . 0 0 "[ . 1 . 2]" 1
222 1 47 PHE H 1 47 PHE QD . . 4.430 4.215 4.105 4.387 . 0 0 "[ . 1 . 2]" 1
223 1 27 TYR QD 1 47 PHE H . . 4.640 3.686 3.195 4.246 . 0 0 "[ . 1 . 2]" 1
224 1 27 TYR QD 1 40 SER H . . 4.350 3.573 3.297 3.882 . 0 0 "[ . 1 . 2]" 1
225 1 27 TYR QE 1 47 PHE H . . 4.500 4.216 3.875 4.512 0.012 19 0 "[ . 1 . 2]" 1
226 1 27 TYR QE 1 40 SER H . . 4.450 3.708 3.499 3.914 . 0 0 "[ . 1 . 2]" 1
227 1 26 HIS HA 1 40 SER H . . 5.500 5.339 5.181 5.499 . 0 0 "[ . 1 . 2]" 1
228 1 24 VAL HA 1 47 PHE H . . 5.500 5.023 4.864 5.150 . 0 0 "[ . 1 . 2]" 1
229 1 40 SER HG 1 47 PHE H . . 5.500 3.822 2.859 4.971 . 0 0 "[ . 1 . 2]" 1
230 1 39 SER HA 1 40 SER H . . 3.130 2.292 2.216 2.392 . 0 0 "[ . 1 . 2]" 1
231 1 46 PRO HA 1 47 PHE H . . 3.140 2.246 2.209 2.351 . 0 0 "[ . 1 . 2]" 1
232 1 39 SER HB2 1 40 SER H . . 4.380 3.043 2.614 4.157 . 0 0 "[ . 1 . 2]" 1
233 1 47 PHE H 1 47 PHE HB2 . . 3.540 2.580 2.402 2.935 . 0 0 "[ . 1 . 2]" 1
234 1 47 PHE H 1 47 PHE HB3 . . 3.540 2.801 2.676 2.901 . 0 0 "[ . 1 . 2]" 1
235 1 27 TYR HB2 1 40 SER H . . 5.500 5.170 4.949 5.376 . 0 0 "[ . 1 . 2]" 1
236 1 40 SER H 1 41 ARG QD . . 5.500 5.196 4.296 5.539 0.039 3 0 "[ . 1 . 2]" 1
237 1 46 PRO HB2 1 47 PHE H . . 3.740 3.064 2.742 3.197 . 0 0 "[ . 1 . 2]" 1
238 1 28 THR MG 1 40 SER H . . 4.920 4.452 4.203 4.702 . 0 0 "[ . 1 . 2]" 1
239 1 40 SER H 1 41 ARG HG2 . . 5.500 4.548 3.616 5.521 0.021 8 0 "[ . 1 . 2]" 1
240 1 46 PRO HB3 1 47 PHE H . . 3.740 3.704 3.521 3.783 0.043 7 0 "[ . 1 . 2]" 1
241 1 24 VAL MG1 1 47 PHE H . . 3.930 3.691 3.430 3.894 . 0 0 "[ . 1 . 2]" 1
242 1 69 VAL HA 1 71 GLN H . . 3.640 3.402 3.338 3.458 . 0 0 "[ . 1 . 2]" 1
243 1 67 MET ME 1 71 GLN H . . 4.190 3.900 3.695 4.193 0.003 3 0 "[ . 1 . 2]" 1
244 1 71 GLN H 1 104 LEU HG . . 5.180 4.306 4.028 4.452 . 0 0 "[ . 1 . 2]" 1
245 1 40 SER H 1 41 ARG HG3 . . 5.500 4.152 3.661 5.217 . 0 0 "[ . 1 . 2]" 1
246 1 70 GLY H 1 71 GLN H . . 3.150 2.466 2.411 2.542 . 0 0 "[ . 1 . 2]" 1
247 1 69 VAL H 1 71 GLN H . . 4.870 4.683 4.587 4.753 . 0 0 "[ . 1 . 2]" 1
248 1 71 GLN H 1 71 GLN HE21 . . 5.500 5.473 5.278 5.513 0.013 16 0 "[ . 1 . 2]" 1
249 1 71 GLN H 1 103 GLU HA . . 5.200 4.911 4.801 5.128 . 0 0 "[ . 1 . 2]" 1
250 1 68 SER HG 1 71 GLN H . . 4.940 4.586 4.459 4.765 . 0 0 "[ . 1 . 2]" 1
251 1 11 GLY HA3 1 71 GLN H . . 3.640 3.471 3.308 3.549 . 0 0 "[ . 1 . 2]" 1
252 1 71 GLN H 1 71 GLN QB . . 2.830 2.414 2.390 2.437 . 0 0 "[ . 1 . 2]" 1
253 1 69 VAL MG1 1 71 GLN H . . 4.700 4.416 4.252 4.486 . 0 0 "[ . 1 . 2]" 1
254 1 27 TYR H 1 41 ARG H . . 4.930 4.674 4.378 4.937 0.007 13 0 "[ . 1 . 2]" 1
255 1 39 SER HA 1 41 ARG H . . 4.200 3.987 3.832 4.214 0.014 1 0 "[ . 1 . 2]" 1
256 1 41 ARG H 1 41 ARG QD . . 4.700 3.736 3.159 4.066 . 0 0 "[ . 1 . 2]" 1
257 1 41 ARG H 1 41 ARG HG2 . . 3.940 2.783 1.967 3.737 . 0 0 "[ . 1 . 2]" 1
258 1 41 ARG H 1 41 ARG HG3 . . 3.940 2.371 1.943 3.247 . 0 0 "[ . 1 . 2]" 1
259 1 100 PHE H 1 100 PHE QD . . 3.670 2.571 2.230 3.431 . 0 0 "[ . 1 . 2]" 1
260 1 99 THR HA 1 100 PHE H . . 2.900 2.181 2.177 2.184 . 0 0 "[ . 1 . 2]" 1
261 1 100 PHE H 1 101 ASP HA . . 5.350 5.061 5.022 5.106 . 0 0 "[ . 1 . 2]" 1
262 1 76 VAL HA 1 100 PHE H . . 3.880 3.563 3.512 3.609 . 0 0 "[ . 1 . 2]" 1
263 1 99 THR HB 1 100 PHE H . . 4.450 4.383 4.297 4.427 . 0 0 "[ . 1 . 2]" 1
264 1 100 PHE H 1 100 PHE HB2 . . 3.540 2.471 2.361 2.558 . 0 0 "[ . 1 . 2]" 1
265 1 100 PHE H 1 100 PHE HB3 . . 3.770 3.663 3.602 3.700 . 0 0 "[ . 1 . 2]" 1
266 1 75 LEU HB3 1 100 PHE H . . 3.850 2.953 2.814 3.079 . 0 0 "[ . 1 . 2]" 1
267 1 99 THR MG 1 100 PHE H . . 3.360 3.174 3.031 3.266 . 0 0 "[ . 1 . 2]" 1
268 1 13 GLU H 1 15 THR H . . 4.380 4.232 4.031 4.405 0.025 17 0 "[ . 1 . 2]" 1
269 1 15 THR H 1 16 TYR H . . 4.630 4.299 4.187 4.374 . 0 0 "[ . 1 . 2]" 1
270 1 15 THR H 1 69 VAL H . . 4.300 3.780 3.560 3.866 . 0 0 "[ . 1 . 2]" 1
271 1 9 ALA H 1 72 ARG HA . . 4.820 4.679 4.571 4.773 . 0 0 "[ . 1 . 2]" 1
272 1 15 THR H 1 68 SER HG . . 5.500 5.514 5.474 5.538 0.038 8 0 "[ . 1 . 2]" 1
273 1 15 THR H 1 15 THR HG1 . . 4.700 2.530 1.969 3.743 . 0 0 "[ . 1 . 2]" 1
274 1 15 THR H 1 15 THR HB . . 3.910 2.775 2.594 3.368 . 0 0 "[ . 1 . 2]" 1
275 1 15 THR H 1 68 SER HB2 . . 3.890 3.661 3.600 3.700 . 0 0 "[ . 1 . 2]" 1
276 1 13 GLU HA 1 15 THR H . . 4.780 4.562 4.405 4.622 . 0 0 "[ . 1 . 2]" 1
277 1 15 THR H 1 69 VAL HB . . 4.650 3.890 3.860 3.916 . 0 0 "[ . 1 . 2]" 1
278 1 14 ALA MB 1 15 THR H . . 3.380 2.665 2.543 2.721 . 0 0 "[ . 1 . 2]" 1
279 1 15 THR H 1 15 THR MG . . 4.180 3.813 3.441 3.840 . 0 0 "[ . 1 . 2]" 1
280 1 15 THR H 1 69 VAL MG1 . . 5.240 5.253 5.233 5.284 0.044 3 0 "[ . 1 . 2]" 1
281 1 8 LEU H 1 9 ALA H . . 2.990 2.144 1.927 2.311 . 0 0 "[ . 1 . 2]" 1
282 1 9 ALA H 1 72 ARG H . . 3.480 3.054 2.935 3.155 . 0 0 "[ . 1 . 2]" 1
283 1 16 TYR QD 1 67 MET H . . 4.170 3.434 2.939 3.568 . 0 0 "[ . 1 . 2]" 1
284 1 9 ALA H 1 73 ALA HA . . 4.190 3.851 3.784 3.960 . 0 0 "[ . 1 . 2]" 1
285 1 9 ALA H 1 10 ALA HA . . 4.680 4.584 4.511 4.640 . 0 0 "[ . 1 . 2]" 1
286 1 7 THR HA 1 9 ALA H . . 4.240 4.064 3.959 4.126 . 0 0 "[ . 1 . 2]" 1
287 1 66 GLN HG2 1 67 MET H . . 5.440 4.758 3.898 5.433 . 0 0 "[ . 1 . 2]" 1
288 1 65 ALA MB 1 67 MET H . . 4.640 4.279 4.215 4.362 . 0 0 "[ . 1 . 2]" 1
289 1 9 ALA H 1 9 ALA MB . . 3.040 2.619 2.547 2.681 . 0 0 "[ . 1 . 2]" 1
290 1 7 THR MG 1 9 ALA H . . 3.170 3.094 2.783 3.179 0.009 3 0 "[ . 1 . 2]" 1
291 1 8 LEU MD1 1 9 ALA H . . 4.080 4.041 3.850 4.098 0.018 1 0 "[ . 1 . 2]" 1
292 1 66 GLN H 1 67 MET H . . 3.070 2.731 2.578 2.882 . 0 0 "[ . 1 . 2]" 1
293 1 17 PRO HD2 1 67 MET H . . 4.620 3.507 3.011 3.773 . 0 0 "[ . 1 . 2]" 1
294 1 65 ALA HA 1 67 MET H . . 4.560 3.733 3.698 3.764 . 0 0 "[ . 1 . 2]" 1
295 1 67 MET H 1 67 MET HG2 . . 4.450 3.260 3.191 3.403 . 0 0 "[ . 1 . 2]" 1
296 1 66 GLN HG3 1 67 MET H . . 5.440 4.487 3.901 4.760 . 0 0 "[ . 1 . 2]" 1
297 1 82 ALA MB 1 83 TYR H . . 3.320 1.931 1.898 2.001 . 0 0 "[ . 1 . 2]" 1
298 1 83 TYR H 1 83 TYR QD . . 4.000 2.819 2.465 2.927 . 0 0 "[ . 1 . 2]" 1
299 1 79 PRO QB 1 81 TYR H . . 4.900 4.745 4.692 4.813 . 0 0 "[ . 1 . 2]" 1
300 1 80 ASP H 1 81 TYR H . . 4.080 2.617 2.599 2.635 . 0 0 "[ . 1 . 2]" 1
301 1 34 GLY H 1 35 LYS H . . 3.130 2.424 2.402 2.451 . 0 0 "[ . 1 . 2]" 1
302 1 33 ASP H 1 35 LYS H . . 3.760 3.683 3.636 3.744 . 0 0 "[ . 1 . 2]" 1
303 1 78 SER HA 1 81 TYR H . . 4.950 4.913 4.832 4.959 0.009 14 0 "[ . 1 . 2]" 1
304 1 79 PRO QD 1 81 TYR H . . 4.920 4.419 4.308 4.475 . 0 0 "[ . 1 . 2]" 1
305 1 33 ASP HB2 1 35 LYS H . . 4.700 3.234 2.689 4.484 . 0 0 "[ . 1 . 2]" 1
306 1 35 LYS H 1 35 LYS QE . . 5.380 4.590 2.700 5.388 0.008 12 0 "[ . 1 . 2]" 1
307 1 33 ASP HB3 1 35 LYS H . . 4.700 3.620 2.717 4.301 . 0 0 "[ . 1 . 2]" 1
308 1 31 LEU HB3 1 35 LYS H . . 4.320 3.956 3.834 4.117 . 0 0 "[ . 1 . 2]" 1
309 1 35 LYS H 1 35 LYS HB2 . . 3.420 2.136 2.064 2.295 . 0 0 "[ . 1 . 2]" 1
310 1 31 LEU HB2 1 35 LYS H . . 3.100 2.810 2.675 2.973 . 0 0 "[ . 1 . 2]" 1
311 1 35 LYS H 1 35 LYS HB3 . . 3.420 3.142 2.779 3.434 0.014 15 0 "[ . 1 . 2]" 1
312 1 35 LYS H 1 35 LYS HG2 . . 4.790 4.033 3.117 4.626 . 0 0 "[ . 1 . 2]" 1
313 1 35 LYS H 1 35 LYS HG3 . . 4.790 4.208 3.820 4.472 . 0 0 "[ . 1 . 2]" 1
314 1 81 TYR H 1 82 ALA H . . 3.050 2.404 2.352 2.449 . 0 0 "[ . 1 . 2]" 1
315 1 81 TYR H 1 81 TYR QD . . 3.680 3.081 2.967 3.336 . 0 0 "[ . 1 . 2]" 1
316 1 81 TYR H 1 81 TYR QB . . 3.040 2.301 2.273 2.334 . 0 0 "[ . 1 . 2]" 1
317 1 96 ALA H 1 97 THR H . . 4.690 4.432 4.377 4.451 . 0 0 "[ . 1 . 2]" 1
318 1 96 ALA HA 1 97 THR H . . 2.790 2.258 2.188 2.284 . 0 0 "[ . 1 . 2]" 1
319 1 97 THR H 1 97 THR HB . . 3.150 2.822 2.346 2.978 . 0 0 "[ . 1 . 2]" 1
320 1 79 PRO QD 1 97 THR H . . 4.460 3.181 2.635 3.763 . 0 0 "[ . 1 . 2]" 1
321 1 96 ALA MB 1 97 THR H . . 3.480 2.814 2.752 2.992 . 0 0 "[ . 1 . 2]" 1
322 1 97 THR H 1 97 THR MG . . 3.760 3.640 2.442 3.757 . 0 0 "[ . 1 . 2]" 1
323 1 88 HIS H 1 92 ILE HG13 . . 4.520 3.864 3.812 3.912 . 0 0 "[ . 1 . 2]" 1
324 1 88 HIS H 1 92 ILE H . . 3.580 2.313 2.265 2.396 . 0 0 "[ . 1 . 2]" 1
325 1 88 HIS H 1 91 VAL H . . 4.490 4.153 4.101 4.196 . 0 0 "[ . 1 . 2]" 1
326 1 88 HIS H 1 92 ILE HA . . 4.550 3.981 3.935 4.028 . 0 0 "[ . 1 . 2]" 1
327 1 88 HIS H 1 89 PRO HA . . 5.030 4.988 4.925 5.098 0.068 5 0 "[ . 1 . 2]" 1
328 1 87 GLY HA2 1 88 HIS H . . 3.540 2.626 2.211 2.878 . 0 0 "[ . 1 . 2]" 1
329 1 87 GLY HA3 1 88 HIS H . . 3.540 2.528 2.293 3.011 . 0 0 "[ . 1 . 2]" 1
330 1 86 ARG QD 1 88 HIS H . . 5.500 5.145 4.602 5.539 0.039 5 0 "[ . 1 . 2]" 1
331 1 88 HIS H 1 88 HIS HB2 . . 3.660 2.757 2.614 2.824 . 0 0 "[ . 1 . 2]" 1
332 1 88 HIS H 1 88 HIS HB3 . . 3.890 3.717 3.630 3.778 . 0 0 "[ . 1 . 2]" 1
333 1 88 HIS H 1 91 VAL HB . . 4.520 3.583 3.482 3.750 . 0 0 "[ . 1 . 2]" 1
334 1 88 HIS H 1 92 ILE HB . . 3.220 1.996 1.926 2.111 . 0 0 "[ . 1 . 2]" 1
335 1 88 HIS H 1 92 ILE MG . . 3.720 3.308 3.219 3.414 . 0 0 "[ . 1 . 2]" 1
336 1 88 HIS H 1 92 ILE MD . . 4.480 3.944 3.868 4.036 . 0 0 "[ . 1 . 2]" 1
337 1 19 ALA H 1 20 GLY H . . 4.610 4.461 4.426 4.546 . 0 0 "[ . 1 . 2]" 1
338 1 95 ASN HB2 1 96 ALA H . . 4.680 4.356 4.342 4.368 . 0 0 "[ . 1 . 2]" 1
339 1 95 ASN HB3 1 96 ALA H . . 4.680 4.420 4.393 4.449 . 0 0 "[ . 1 . 2]" 1
340 1 19 ALA H 1 21 GLN HB2 . . 5.270 4.815 4.579 5.074 . 0 0 "[ . 1 . 2]" 1
341 1 96 ALA H 1 96 ALA MB . . 3.100 2.534 2.528 2.540 . 0 0 "[ . 1 . 2]" 1
342 1 30 THR H 1 31 LEU H . . 4.560 4.191 4.152 4.214 . 0 0 "[ . 1 . 2]" 1
343 1 61 ASP H 1 64 VAL H . . 4.960 4.824 4.766 4.851 . 0 0 "[ . 1 . 2]" 1
344 1 21 GLN HA 1 22 VAL H . . 3.060 2.403 2.319 2.468 . 0 0 "[ . 1 . 2]" 1
345 1 18 LYS HA 1 19 ALA H . . 2.700 2.228 2.186 2.273 . 0 0 "[ . 1 . 2]" 1
346 1 19 ALA H 1 19 ALA MB . . 2.680 2.138 2.024 2.233 . 0 0 "[ . 1 . 2]" 1
347 1 22 VAL H 1 22 VAL MG1 . . 3.950 3.230 1.895 3.809 . 0 0 "[ . 1 . 2]" 1
348 1 22 VAL H 1 22 VAL MG2 . . 3.950 2.723 2.081 3.827 . 0 0 "[ . 1 . 2]" 1
349 1 59 GLY H 1 61 ASP H . . 4.890 4.220 4.191 4.287 . 0 0 "[ . 1 . 2]" 1
350 1 78 SER H 1 81 TYR H . . 4.540 4.356 4.283 4.476 . 0 0 "[ . 1 . 2]" 1
351 1 61 ASP H 1 63 GLY H . . 4.570 4.205 4.171 4.344 . 0 0 "[ . 1 . 2]" 1
352 1 49 PHE QE 1 61 ASP H . . 4.640 4.566 4.340 4.645 0.005 18 0 "[ . 1 . 2]" 1
353 1 60 TRP HD1 1 61 ASP H . . 5.260 5.077 4.988 5.199 . 0 0 "[ . 1 . 2]" 1
354 1 58 ARG HA 1 61 ASP H . . 3.730 3.595 3.522 3.634 . 0 0 "[ . 1 . 2]" 1
355 1 59 GLY HA2 1 61 ASP H . . 4.880 4.569 4.538 4.668 . 0 0 "[ . 1 . 2]" 1
356 1 61 ASP H 1 61 ASP HB2 . . 3.020 2.219 2.130 2.730 . 0 0 "[ . 1 . 2]" 1
357 1 31 LEU H 1 31 LEU HG . . 3.100 3.092 2.946 3.113 0.013 18 0 "[ . 1 . 2]" 1
358 1 22 VAL H 1 22 VAL HB . . 3.040 2.667 2.531 2.973 . 0 0 "[ . 1 . 2]" 1
359 1 24 VAL H 1 48 ARG HB2 . . 4.950 4.675 3.552 4.962 0.012 11 0 "[ . 1 . 2]" 1
360 1 24 VAL H 1 48 ARG HB3 . . 5.380 4.836 4.397 4.996 . 0 0 "[ . 1 . 2]" 1
361 1 56 VAL HB 1 61 ASP H . . 4.660 4.060 3.995 4.154 . 0 0 "[ . 1 . 2]" 1
362 1 56 VAL MG2 1 61 ASP H . . 3.460 3.259 3.193 3.300 . 0 0 "[ . 1 . 2]" 1
363 1 77 CYS H 1 78 SER H . . 4.500 4.469 4.467 4.470 . 0 0 "[ . 1 . 2]" 1
364 1 78 SER H 1 81 TYR QD . . 5.470 5.241 5.062 5.372 . 0 0 "[ . 1 . 2]" 1
365 1 77 CYS HA 1 78 SER H . . 2.740 2.394 2.335 2.405 . 0 0 "[ . 1 . 2]" 1
366 1 24 VAL H 1 107 VAL HA . . 4.030 2.977 2.773 3.226 . 0 0 "[ . 1 . 2]" 1
367 1 23 ALA HA 1 24 VAL H . . 2.870 2.215 2.162 2.305 . 0 0 "[ . 1 . 2]" 1
368 1 78 SER H 1 78 SER HB2 . . 3.540 2.644 2.082 3.418 . 0 0 "[ . 1 . 2]" 1
369 1 78 SER H 1 78 SER HB3 . . 3.540 3.319 3.126 3.379 . 0 0 "[ . 1 . 2]" 1
370 1 78 SER H 1 79 PRO QD . . 4.410 4.336 4.332 4.344 . 0 0 "[ . 1 . 2]" 1
371 1 77 CYS HB2 1 78 SER H . . 4.190 2.536 2.433 3.979 . 0 0 "[ . 1 . 2]" 1
372 1 78 SER H 1 81 TYR QB . . 3.600 3.537 3.364 3.621 0.021 14 0 "[ . 1 . 2]" 1
373 1 77 CYS HB3 1 78 SER H . . 4.190 3.763 3.586 3.854 . 0 0 "[ . 1 . 2]" 1
374 1 3 VAL HB 1 78 SER H . . 4.510 4.400 4.291 4.523 0.013 4 0 "[ . 1 . 2]" 1
375 1 24 VAL H 1 24 VAL HB . . 3.340 2.705 2.662 2.754 . 0 0 "[ . 1 . 2]" 1
376 1 24 VAL H 1 105 LEU HB2 . . 5.490 5.201 4.961 5.528 0.038 16 0 "[ . 1 . 2]" 1
377 1 24 VAL H 1 24 VAL MG2 . . 3.110 2.596 2.416 2.694 . 0 0 "[ . 1 . 2]" 1
378 1 31 LEU H 1 35 LYS H . . 4.220 3.660 3.588 3.711 . 0 0 "[ . 1 . 2]" 1
379 1 31 LEU H 1 33 ASP H . . 4.970 4.577 4.504 4.621 . 0 0 "[ . 1 . 2]" 1
380 1 60 TRP H 1 64 VAL H . . 5.500 5.608 5.577 5.627 0.127 14 0 "[ . 1 . 2]" 1
381 1 31 LEU H 1 37 PHE QE . . 4.670 4.308 4.076 4.542 . 0 0 "[ . 1 . 2]" 1
382 1 31 LEU H 1 37 PHE QD . . 3.860 3.464 3.325 3.630 . 0 0 "[ . 1 . 2]" 1
383 1 49 PHE HZ 1 64 VAL H . . 4.540 4.312 4.017 4.556 0.016 11 0 "[ . 1 . 2]" 1
384 1 30 THR HA 1 31 LEU H . . 3.020 2.210 2.189 2.229 . 0 0 "[ . 1 . 2]" 1
385 1 60 TRP HA 1 64 VAL H . . 3.670 3.233 3.179 3.275 . 0 0 "[ . 1 . 2]" 1
386 1 30 THR HB 1 31 LEU H . . 3.470 3.330 3.245 3.424 . 0 0 "[ . 1 . 2]" 1
387 1 31 LEU H 1 37 PHE HB2 . . 5.290 4.793 4.544 5.017 . 0 0 "[ . 1 . 2]" 1
388 1 64 VAL H 1 64 VAL HB . . 2.970 2.439 2.381 2.497 . 0 0 "[ . 1 . 2]" 1
389 1 64 VAL H 1 65 ALA MB . . 4.510 4.263 4.166 4.362 . 0 0 "[ . 1 . 2]" 1
390 1 30 THR MG 1 31 LEU H . . 3.390 2.792 2.652 2.976 . 0 0 "[ . 1 . 2]" 1
391 1 64 VAL H 1 75 LEU MD1 . . 4.670 3.871 2.899 4.146 . 0 0 "[ . 1 . 2]" 1
392 1 12 ASP H 1 69 VAL H . . 5.170 4.701 4.529 4.805 . 0 0 "[ . 1 . 2]" 1
393 1 69 VAL H 1 70 GLY H . . 4.590 4.548 4.526 4.575 . 0 0 "[ . 1 . 2]" 1
394 1 16 TYR HA 1 69 VAL H . . 4.400 3.604 3.469 3.751 . 0 0 "[ . 1 . 2]" 1
395 1 68 SER HG 1 69 VAL H . . 4.820 4.640 4.514 4.815 . 0 0 "[ . 1 . 2]" 1
396 1 68 SER HA 1 69 VAL H . . 3.190 2.254 2.226 2.274 . 0 0 "[ . 1 . 2]" 1
397 1 15 THR HB 1 69 VAL H . . 3.440 3.134 2.870 3.426 . 0 0 "[ . 1 . 2]" 1
398 1 68 SER HB2 1 69 VAL H . . 3.530 2.850 2.790 2.945 . 0 0 "[ . 1 . 2]" 1
399 1 13 GLU HA 1 69 VAL H . . 5.500 5.347 5.226 5.443 . 0 0 "[ . 1 . 2]" 1
400 1 69 VAL H 1 69 VAL HB . . 3.130 2.575 2.526 2.598 . 0 0 "[ . 1 . 2]" 1
401 1 69 VAL H 1 104 LEU HG . . 5.200 3.076 2.913 3.173 . 0 0 "[ . 1 . 2]" 1
402 1 20 GLY H 1 21 GLN H . . 3.170 2.412 2.254 2.534 . 0 0 "[ . 1 . 2]" 1
403 1 18 LYS H 1 21 GLN H . . 5.090 4.470 4.246 4.753 . 0 0 "[ . 1 . 2]" 1
404 1 21 GLN H 1 21 GLN HE21 . . 4.970 4.647 4.348 4.971 0.001 5 0 "[ . 1 . 2]" 1
405 1 19 ALA HA 1 21 GLN H . . 3.680 3.506 3.368 3.586 . 0 0 "[ . 1 . 2]" 1
406 1 21 GLN H 1 21 GLN HB2 . . 2.870 2.241 2.182 2.331 . 0 0 "[ . 1 . 2]" 1
407 1 21 GLN H 1 21 GLN HB3 . . 3.670 3.379 3.198 3.580 . 0 0 "[ . 1 . 2]" 1
408 1 19 ALA MB 1 21 GLN H . . 4.570 4.455 4.337 4.548 . 0 0 "[ . 1 . 2]" 1
409 1 73 ALA H 1 74 LYS H . . 4.520 4.381 4.371 4.393 . 0 0 "[ . 1 . 2]" 1
410 1 24 VAL H 1 107 VAL H . . 4.990 4.756 4.548 4.915 . 0 0 "[ . 1 . 2]" 1
411 1 73 ALA HA 1 74 LYS H . . 3.060 2.433 2.398 2.467 . 0 0 "[ . 1 . 2]" 1
412 1 7 THR HA 1 74 LYS H . . 4.320 4.170 4.095 4.314 . 0 0 "[ . 1 . 2]" 1
413 1 6 VAL HB 1 74 LYS H . . 3.720 2.793 2.438 3.325 . 0 0 "[ . 1 . 2]" 1
414 1 74 LYS H 1 74 LYS QB . . 3.160 2.469 2.188 2.722 . 0 0 "[ . 1 . 2]" 1
415 1 73 ALA MB 1 74 LYS H . . 3.190 2.330 2.274 2.395 . 0 0 "[ . 1 . 2]" 1
416 1 8 LEU MD2 1 74 LYS H . . 3.910 3.746 3.269 3.928 0.018 17 0 "[ . 1 . 2]" 1
417 1 60 TRP H 1 60 TRP HD1 . . 4.030 3.135 2.858 3.436 . 0 0 "[ . 1 . 2]" 1
418 1 60 TRP H 1 61 ASP HA . . 5.430 5.345 5.290 5.377 . 0 0 "[ . 1 . 2]" 1
419 1 106 ARG HA 1 107 VAL H . . 2.810 2.415 2.354 2.474 . 0 0 "[ . 1 . 2]" 1
420 1 106 ARG QD 1 107 VAL H . . 4.970 4.544 3.763 5.000 0.030 17 0 "[ . 1 . 2]" 1
421 1 60 TRP H 1 60 TRP HB2 . . 3.310 2.307 2.258 2.369 . 0 0 "[ . 1 . 2]" 1
422 1 60 TRP H 1 60 TRP HB3 . . 3.640 3.554 3.537 3.573 . 0 0 "[ . 1 . 2]" 1
423 1 57 ILE HB 1 60 TRP H . . 4.440 3.990 3.941 4.036 . 0 0 "[ . 1 . 2]" 1
424 1 53 ARG HB3 1 55 GLU H . . 3.850 2.425 2.238 2.697 . 0 0 "[ . 1 . 2]" 1
425 1 106 ARG HB3 1 107 VAL H . . 3.770 3.223 2.294 3.791 0.021 6 0 "[ . 1 . 2]" 1
426 1 56 VAL HB 1 60 TRP H . . 4.950 4.577 4.490 4.669 . 0 0 "[ . 1 . 2]" 1
427 1 60 TRP H 1 82 ALA MB . . 5.370 4.663 4.518 4.969 . 0 0 "[ . 1 . 2]" 1
428 1 106 ARG QG 1 107 VAL H . . 4.320 3.811 3.495 4.060 . 0 0 "[ . 1 . 2]" 1
429 1 57 ILE HG13 1 60 TRP H . . 3.380 1.949 1.936 1.969 . 0 0 "[ . 1 . 2]" 1
430 1 69 VAL MG2 1 107 VAL H . . 3.670 3.219 2.985 3.688 0.018 17 0 "[ . 1 . 2]" 1
431 1 57 ILE MD 1 60 TRP H . . 3.590 2.343 2.144 2.574 . 0 0 "[ . 1 . 2]" 1
432 1 57 ILE HG12 1 60 TRP H . . 3.850 3.480 3.443 3.525 . 0 0 "[ . 1 . 2]" 1
433 1 56 VAL MG2 1 60 TRP H . . 5.060 4.842 4.645 4.925 . 0 0 "[ . 1 . 2]" 1
434 1 53 ARG H 1 55 GLU H . . 4.670 4.456 4.384 4.558 . 0 0 "[ . 1 . 2]" 1
435 1 60 TRP H 1 63 GLY H . . 4.870 4.741 4.703 4.836 . 0 0 "[ . 1 . 2]" 1
436 1 49 PHE QD 1 55 GLU H . . 5.500 5.418 5.228 5.523 0.023 19 0 "[ . 1 . 2]" 1
437 1 54 GLY QA 1 55 GLU H . . 3.490 2.866 2.823 2.902 . 0 0 "[ . 1 . 2]" 1
438 1 55 GLU H 1 55 GLU HB2 . . 3.200 2.515 2.445 2.645 . 0 0 "[ . 1 . 2]" 1
439 1 53 ARG HG3 1 55 GLU H . . 4.950 4.795 4.709 4.923 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLU H 1 56 VAL MG2 . . 4.070 3.477 3.327 3.628 . 0 0 "[ . 1 . 2]" 1
441 1 50 THR H 1 51 VAL H . . 4.510 4.353 4.290 4.399 . 0 0 "[ . 1 . 2]" 1
442 1 49 PHE QD 1 50 THR H . . 3.830 2.978 2.810 3.099 . 0 0 "[ . 1 . 2]" 1
443 1 49 PHE HA 1 50 THR H . . 2.990 2.480 2.406 2.544 . 0 0 "[ . 1 . 2]" 1
444 1 50 THR H 1 50 THR HB . . 3.230 2.526 2.481 2.625 . 0 0 "[ . 1 . 2]" 1
445 1 49 PHE HB2 1 50 THR H . . 3.050 2.294 2.158 2.458 . 0 0 "[ . 1 . 2]" 1
446 1 88 HIS HB2 1 91 VAL H . . 4.640 4.204 4.093 4.364 . 0 0 "[ . 1 . 2]" 1
447 1 50 THR H 1 55 GLU HB2 . . 4.090 4.025 3.673 4.107 0.017 3 0 "[ . 1 . 2]" 1
448 1 50 THR H 1 53 ARG HB3 . . 5.290 4.865 4.643 5.165 . 0 0 "[ . 1 . 2]" 1
449 1 50 THR H 1 53 ARG HG2 . . 5.500 5.175 4.703 5.488 . 0 0 "[ . 1 . 2]" 1
450 1 50 THR H 1 50 THR MG . . 4.000 3.788 3.775 3.802 . 0 0 "[ . 1 . 2]" 1
451 1 91 VAL H 1 91 VAL MG1 . . 4.040 3.911 3.902 3.918 . 0 0 "[ . 1 . 2]" 1
452 1 91 VAL H 1 91 VAL MG2 . . 4.040 2.766 2.660 2.878 . 0 0 "[ . 1 . 2]" 1
453 1 91 VAL H 1 92 ILE H . . 3.030 2.235 2.095 2.284 . 0 0 "[ . 1 . 2]" 1
454 1 88 HIS HB2 1 92 ILE H . . 3.590 3.036 2.856 3.333 . 0 0 "[ . 1 . 2]" 1
455 1 91 VAL HB 1 92 ILE H . . 3.280 2.201 2.144 2.359 . 0 0 "[ . 1 . 2]" 1
456 1 91 VAL H 1 91 VAL HB . . 3.330 2.780 2.761 2.798 . 0 0 "[ . 1 . 2]" 1
457 1 91 VAL MG2 1 92 ILE H . . 3.620 3.576 3.537 3.617 . 0 0 "[ . 1 . 2]" 1
458 1 92 ILE H 1 92 ILE HG13 . . 4.040 3.055 2.998 3.165 . 0 0 "[ . 1 . 2]" 1
459 1 92 ILE H 1 92 ILE MD . . 4.340 4.233 4.144 4.355 0.015 12 0 "[ . 1 . 2]" 1
460 1 26 HIS H 1 26 HIS HD2 . . 4.800 4.264 3.587 4.607 . 0 0 "[ . 1 . 2]" 1
461 1 88 HIS HA 1 92 ILE H . . 4.870 4.289 4.243 4.348 . 0 0 "[ . 1 . 2]" 1
462 1 92 ILE H 1 93 PRO HD2 . . 5.100 4.791 4.765 4.803 . 0 0 "[ . 1 . 2]" 1
463 1 92 ILE H 1 93 PRO HD3 . . 5.100 4.646 4.574 4.682 . 0 0 "[ . 1 . 2]" 1
464 1 88 HIS HB3 1 92 ILE H . . 3.880 3.670 3.508 3.795 . 0 0 "[ . 1 . 2]" 1
465 1 92 ILE H 1 92 ILE HB . . 3.550 2.780 2.733 2.877 . 0 0 "[ . 1 . 2]" 1
466 1 26 HIS H 1 103 GLU H . . 3.560 2.454 2.274 2.721 . 0 0 "[ . 1 . 2]" 1
467 1 25 VAL HA 1 26 HIS H . . 3.000 2.476 2.413 2.565 . 0 0 "[ . 1 . 2]" 1
468 1 26 HIS H 1 104 LEU HA . . 4.380 3.953 3.835 4.073 . 0 0 "[ . 1 . 2]" 1
469 1 25 VAL HB 1 26 HIS H . . 4.070 2.365 2.204 2.479 . 0 0 "[ . 1 . 2]" 1
470 1 37 PHE QE 1 38 ASP H . . 5.110 5.076 4.992 5.123 0.013 1 0 "[ . 1 . 2]" 1
471 1 37 PHE QD 1 38 ASP H . . 3.650 2.946 2.811 3.083 . 0 0 "[ . 1 . 2]" 1
472 1 27 TYR QD 1 60 TRP HE1 . . 5.430 4.852 4.529 5.142 . 0 0 "[ . 1 . 2]" 1
473 1 38 ASP H 1 38 ASP HB2 . . 3.870 2.204 2.135 2.332 . 0 0 "[ . 1 . 2]" 1
474 1 27 TYR HB3 1 60 TRP HE1 . . 4.500 4.026 3.856 4.233 . 0 0 "[ . 1 . 2]" 1
475 1 37 PHE HB2 1 38 ASP H . . 4.330 3.506 3.476 3.537 . 0 0 "[ . 1 . 2]" 1
476 1 38 ASP H 1 38 ASP HB3 . . 3.870 2.921 2.747 3.032 . 0 0 "[ . 1 . 2]" 1
477 1 57 ILE MD 1 60 TRP HE1 . . 3.900 3.903 3.878 3.920 0.020 19 0 "[ . 1 . 2]" 1
478 1 14 ALA H 1 15 THR H . . 3.000 1.892 1.875 1.909 . 0 0 "[ . 1 . 2]" 1
479 1 14 ALA H 1 16 TYR QE . . 4.890 3.436 3.179 3.600 . 0 0 "[ . 1 . 2]" 1
480 1 14 ALA H 1 68 SER HG . . 4.480 4.207 4.042 4.343 . 0 0 "[ . 1 . 2]" 1
481 1 60 TRP HA 1 60 TRP HE1 . . 4.840 4.528 4.508 4.546 . 0 0 "[ . 1 . 2]" 1
482 1 12 ASP HA 1 14 ALA H . . 5.150 4.450 4.163 5.161 0.011 14 0 "[ . 1 . 2]" 1
483 1 14 ALA H 1 15 THR HA . . 5.500 4.509 4.411 4.584 . 0 0 "[ . 1 . 2]" 1
484 1 14 ALA H 1 15 THR HB . . 5.500 4.481 4.326 5.112 . 0 0 "[ . 1 . 2]" 1
485 1 14 ALA H 1 68 SER HB2 . . 3.770 2.839 2.627 3.023 . 0 0 "[ . 1 . 2]" 1
486 1 60 TRP HE1 1 75 LEU HB3 . . 4.670 4.514 4.201 4.672 0.002 3 0 "[ . 1 . 2]" 1
487 1 14 ALA H 1 14 ALA MB . . 3.180 2.624 2.495 2.781 . 0 0 "[ . 1 . 2]" 1
488 1 3 VAL H 1 4 GLN H . . 4.370 4.186 4.102 4.379 0.009 8 0 "[ . 1 . 2]" 1
489 1 38 ASP HB2 1 39 SER H . . 4.740 4.342 4.230 4.398 . 0 0 "[ . 1 . 2]" 1
490 1 2 GLY HA3 1 3 VAL H . . 3.190 3.091 3.088 3.096 . 0 0 "[ . 1 . 2]" 1
491 1 3 VAL H 1 3 VAL HB . . 3.580 3.385 3.217 3.433 . 0 0 "[ . 1 . 2]" 1
492 1 3 VAL H 1 3 VAL MG1 . . 2.980 2.192 2.107 2.295 . 0 0 "[ . 1 . 2]" 1
493 1 38 ASP HA 1 39 SER H . . 3.230 2.173 2.154 2.216 . 0 0 "[ . 1 . 2]" 1
494 1 44 GLY H 1 45 LYS H . . 3.670 2.722 2.271 2.883 . 0 0 "[ . 1 . 2]" 1
495 1 43 ARG H 1 45 LYS H . . 3.820 3.506 3.214 3.840 0.020 19 0 "[ . 1 . 2]" 1
496 1 43 ARG HA 1 45 LYS H . . 4.860 4.712 4.381 4.869 0.009 17 0 "[ . 1 . 2]" 1
497 1 45 LYS H 1 46 PRO HD3 . . 4.130 3.939 3.589 4.166 0.036 17 0 "[ . 1 . 2]" 1
498 1 45 LYS H 1 45 LYS HB2 . . 3.700 2.859 2.352 3.697 . 0 0 "[ . 1 . 2]" 1
499 1 45 LYS H 1 45 LYS HB3 . . 3.700 3.337 2.739 3.701 0.001 5 0 "[ . 1 . 2]" 1
500 1 45 LYS H 1 45 LYS QG . . 4.180 3.595 2.082 4.187 0.007 1 0 "[ . 1 . 2]" 1
501 1 12 ASP H 1 13 GLU H . . 3.360 2.455 2.329 2.559 . 0 0 "[ . 1 . 2]" 1
502 1 12 ASP H 1 68 SER HG . . 4.160 3.571 3.272 4.035 . 0 0 "[ . 1 . 2]" 1
503 1 12 ASP H 1 70 GLY HA3 . . 4.020 3.256 3.086 3.402 . 0 0 "[ . 1 . 2]" 1
504 1 12 ASP H 1 68 SER HB2 . . 3.830 3.649 3.472 3.851 0.021 4 0 "[ . 1 . 2]" 1
505 1 11 GLY HA3 1 12 ASP H . . 3.050 2.139 2.135 2.151 . 0 0 "[ . 1 . 2]" 1
506 1 12 ASP H 1 12 ASP HB2 . . 3.690 2.570 2.304 3.633 . 0 0 "[ . 1 . 2]" 1
507 1 12 ASP H 1 12 ASP HB3 . . 3.690 2.889 2.358 3.588 . 0 0 "[ . 1 . 2]" 1
508 1 12 ASP H 1 71 GLN QB . . 4.000 3.487 3.301 3.721 . 0 0 "[ . 1 . 2]" 1
509 1 12 ASP H 1 69 VAL HB . . 4.360 4.339 4.219 4.381 0.021 1 0 "[ . 1 . 2]" 1
510 1 12 ASP H 1 69 VAL MG1 . . 4.460 4.428 4.340 4.471 0.011 10 0 "[ . 1 . 2]" 1
511 1 52 GLY H 1 53 ARG H . . 3.470 2.235 2.150 2.310 . 0 0 "[ . 1 . 2]" 1
512 1 53 ARG H 1 56 VAL H . . 5.230 5.040 4.949 5.170 . 0 0 "[ . 1 . 2]" 1
513 1 51 VAL HA 1 53 ARG H . . 3.920 3.705 3.638 3.756 . 0 0 "[ . 1 . 2]" 1
514 1 53 ARG H 1 53 ARG HB2 . . 3.660 2.199 2.145 2.297 . 0 0 "[ . 1 . 2]" 1
515 1 53 ARG H 1 53 ARG HG2 . . 3.260 3.012 2.754 3.161 . 0 0 "[ . 1 . 2]" 1
516 1 53 ARG H 1 53 ARG HG3 . . 4.190 3.949 3.836 4.045 . 0 0 "[ . 1 . 2]" 1
517 1 53 ARG H 1 55 GLU QG . . 5.410 5.310 4.941 5.410 0.000 11 0 "[ . 1 . 2]" 1
518 1 99 THR H 1 100 PHE H . . 4.590 4.007 3.961 4.062 . 0 0 "[ . 1 . 2]" 1
519 1 98 LEU H 1 99 THR H . . 4.600 4.425 4.401 4.461 . 0 0 "[ . 1 . 2]" 1
520 1 99 THR H 1 100 PHE QD . . 4.320 4.147 3.328 4.389 0.069 2 0 "[ . 1 . 2]" 1
521 1 98 LEU HA 1 99 THR H . . 3.180 2.266 2.190 2.355 . 0 0 "[ . 1 . 2]" 1
522 1 99 THR H 1 99 THR MG . . 4.010 3.900 3.861 3.938 . 0 0 "[ . 1 . 2]" 1
523 1 98 LEU MD2 1 99 THR H . . 4.940 3.679 3.127 3.976 . 0 0 "[ . 1 . 2]" 1
524 1 25 VAL H 1 26 HIS H . . 4.790 4.410 4.393 4.417 . 0 0 "[ . 1 . 2]" 1
525 1 29 GLY H 1 37 PHE H . . 4.450 4.314 4.197 4.443 . 0 0 "[ . 1 . 2]" 1
526 1 24 VAL H 1 25 VAL H . . 4.520 4.365 4.320 4.466 . 0 0 "[ . 1 . 2]" 1
527 1 25 VAL H 1 48 ARG H . . 5.230 4.851 4.607 4.956 . 0 0 "[ . 1 . 2]" 1
528 1 29 GLY H 1 100 PHE QE . . 5.500 4.746 4.172 5.539 0.039 20 0 "[ . 1 . 2]" 1
529 1 25 VAL H 1 47 PHE QD . . 5.290 5.193 5.014 5.295 0.005 3 0 "[ . 1 . 2]" 1
530 1 29 GLY H 1 100 PHE QD . . 4.270 3.932 3.715 4.431 0.161 20 0 "[ . 1 . 2]" 1
531 1 27 TYR QD 1 29 GLY H . . 4.250 3.882 3.754 4.054 . 0 0 "[ . 1 . 2]" 1
532 1 29 GLY H 1 38 ASP H . . 4.850 4.717 4.616 4.813 . 0 0 "[ . 1 . 2]" 1
533 1 29 GLY H 1 100 PHE HA . . 5.240 4.953 4.885 5.000 . 0 0 "[ . 1 . 2]" 1
534 1 25 VAL H 1 48 ARG HA . . 3.890 3.223 2.823 3.415 . 0 0 "[ . 1 . 2]" 1
535 1 24 VAL HA 1 25 VAL H . . 2.950 2.145 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
536 1 99 THR H 1 99 THR HB . . 3.380 2.743 2.658 2.877 . 0 0 "[ . 1 . 2]" 1
537 1 25 VAL H 1 25 VAL HB . . 4.170 3.957 3.949 3.967 . 0 0 "[ . 1 . 2]" 1
538 1 24 VAL HB 1 25 VAL H . . 4.390 4.130 4.044 4.213 . 0 0 "[ . 1 . 2]" 1
539 1 25 VAL H 1 105 LEU HB2 . . 5.280 4.545 4.281 4.862 . 0 0 "[ . 1 . 2]" 1
540 1 25 VAL H 1 48 ARG HB3 . . 4.730 4.305 3.979 4.461 . 0 0 "[ . 1 . 2]" 1
541 1 28 THR MG 1 29 GLY H . . 3.400 2.410 2.319 2.584 . 0 0 "[ . 1 . 2]" 1
542 1 25 VAL H 1 25 VAL MG2 . . 4.120 2.470 2.436 2.522 . 0 0 "[ . 1 . 2]" 1
543 1 25 VAL H 1 25 VAL MG1 . . 4.120 2.803 2.752 2.842 . 0 0 "[ . 1 . 2]" 1
544 1 24 VAL MG1 1 25 VAL H . . 3.210 2.595 2.352 2.811 . 0 0 "[ . 1 . 2]" 1
545 1 49 PHE H 1 51 VAL H . . 5.500 5.290 5.129 5.501 0.001 3 0 "[ . 1 . 2]" 1
546 1 30 THR H 1 99 THR H . . 4.140 3.900 3.722 4.104 . 0 0 "[ . 1 . 2]" 1
547 1 30 THR H 1 100 PHE QD . . 4.100 3.816 2.675 4.145 0.045 13 0 "[ . 1 . 2]" 1
548 1 29 GLY HA3 1 30 THR H . . 3.260 3.013 2.985 3.039 . 0 0 "[ . 1 . 2]" 1
549 1 30 THR H 1 36 VAL HA . . 5.200 5.193 5.127 5.218 0.018 13 0 "[ . 1 . 2]" 1
550 1 29 GLY HA2 1 30 THR H . . 3.400 2.209 2.196 2.225 . 0 0 "[ . 1 . 2]" 1
551 1 30 THR H 1 30 THR MG . . 4.010 3.958 3.942 3.987 . 0 0 "[ . 1 . 2]" 1
552 1 26 HIS H 1 27 TYR H . . 5.000 4.364 4.292 4.413 . 0 0 "[ . 1 . 2]" 1
553 1 27 TYR H 1 28 THR H . . 5.380 4.505 4.457 4.536 . 0 0 "[ . 1 . 2]" 1
554 1 49 PHE H 1 49 PHE QE . . 4.840 4.595 4.561 4.672 . 0 0 "[ . 1 . 2]" 1
555 1 30 THR H 1 37 PHE QD . . 4.540 4.326 4.107 4.509 . 0 0 "[ . 1 . 2]" 1
556 1 27 TYR H 1 27 TYR QD . . 3.790 2.577 2.398 2.700 . 0 0 "[ . 1 . 2]" 1
557 1 26 HIS HA 1 27 TYR H . . 3.320 2.144 2.140 2.151 . 0 0 "[ . 1 . 2]" 1
558 1 30 THR H 1 100 PHE HA . . 3.920 3.349 3.253 3.468 . 0 0 "[ . 1 . 2]" 1
559 1 27 TYR H 1 40 SER HB2 . . 4.740 3.417 2.704 4.405 . 0 0 "[ . 1 . 2]" 1
560 1 27 TYR H 1 40 SER HG . . 4.710 3.748 2.118 4.731 0.021 12 0 "[ . 1 . 2]" 1
561 1 30 THR H 1 30 THR HB . . 3.960 3.617 3.565 3.651 . 0 0 "[ . 1 . 2]" 1
562 1 27 TYR H 1 46 PRO HA . . 4.980 4.406 3.848 4.876 . 0 0 "[ . 1 . 2]" 1
563 1 27 TYR H 1 40 SER HB3 . . 4.740 3.003 2.505 3.946 . 0 0 "[ . 1 . 2]" 1
564 1 27 TYR H 1 27 TYR HB2 . . 3.930 3.706 3.692 3.740 . 0 0 "[ . 1 . 2]" 1
565 1 28 THR MG 1 30 THR H . . 5.200 4.932 4.754 5.232 0.032 9 0 "[ . 1 . 2]" 1
566 1 30 THR H 1 36 VAL MG2 . . 5.500 5.499 5.428 5.522 0.022 13 0 "[ . 1 . 2]" 1
567 1 49 PHE H 1 50 THR H . . 4.630 4.363 4.347 4.371 . 0 0 "[ . 1 . 2]" 1
568 1 49 PHE H 1 49 PHE QD . . 3.470 3.249 3.200 3.323 . 0 0 "[ . 1 . 2]" 1
569 1 48 ARG HA 1 49 PHE H . . 2.860 2.250 2.185 2.453 . 0 0 "[ . 1 . 2]" 1
570 1 22 VAL HA 1 49 PHE H . . 4.200 4.140 3.932 4.228 0.028 8 0 "[ . 1 . 2]" 1
571 1 49 PHE H 1 49 PHE HB3 . . 3.670 3.473 3.394 3.539 . 0 0 "[ . 1 . 2]" 1
572 1 95 ASN H 1 96 ALA H . . 4.070 3.066 3.031 3.091 . 0 0 "[ . 1 . 2]" 1
573 1 85 SER HA 1 95 ASN H . . 3.730 3.210 2.954 3.794 0.064 12 0 "[ . 1 . 2]" 1
574 1 94 PRO HA 1 95 ASN H . . 3.160 2.224 2.220 2.231 . 0 0 "[ . 1 . 2]" 1
575 1 95 ASN H 1 95 ASN HB2 . . 4.120 3.714 3.632 3.737 . 0 0 "[ . 1 . 2]" 1
576 1 95 ASN H 1 95 ASN HB3 . . 4.120 3.875 3.850 3.920 . 0 0 "[ . 1 . 2]" 1
577 1 94 PRO HB2 1 95 ASN H . . 4.160 4.016 4.005 4.031 . 0 0 "[ . 1 . 2]" 1
578 1 79 PRO QB 1 95 ASN H . . 3.940 3.883 3.757 3.985 0.045 19 0 "[ . 1 . 2]" 1
579 1 94 PRO HB3 1 95 ASN H . . 4.370 4.350 4.342 4.361 . 0 0 "[ . 1 . 2]" 1
580 1 95 ASN H 1 96 ALA MB . . 4.950 4.338 4.318 4.358 . 0 0 "[ . 1 . 2]" 1
581 1 64 VAL H 1 65 ALA H . . 3.130 2.645 2.530 2.823 . 0 0 "[ . 1 . 2]" 1
582 1 64 VAL HB 1 65 ALA H . . 4.090 3.835 2.534 3.916 . 0 0 "[ . 1 . 2]" 1
583 1 65 ALA H 1 65 ALA MB . . 2.750 2.158 2.108 2.224 . 0 0 "[ . 1 . 2]" 1
584 1 70 GLY H 1 104 LEU H . . 4.940 4.256 4.156 4.350 . 0 0 "[ . 1 . 2]" 1
585 1 11 GLY HA3 1 70 GLY H . . 4.980 4.925 4.782 4.994 0.014 7 0 "[ . 1 . 2]" 1
586 1 69 VAL HA 1 70 GLY H . . 2.890 2.155 2.149 2.168 . 0 0 "[ . 1 . 2]" 1
587 1 69 VAL HB 1 70 GLY H . . 4.530 4.203 4.136 4.243 . 0 0 "[ . 1 . 2]" 1
588 1 70 GLY H 1 104 LEU HG . . 4.800 3.913 3.646 4.046 . 0 0 "[ . 1 . 2]" 1
589 1 69 VAL MG1 1 70 GLY H . . 3.200 2.601 2.278 2.719 . 0 0 "[ . 1 . 2]" 1
590 1 28 THR H 1 103 GLU H . . 5.500 5.490 5.394 5.537 0.037 20 0 "[ . 1 . 2]" 1
591 1 28 THR H 1 29 GLY H . . 4.710 4.268 4.209 4.317 . 0 0 "[ . 1 . 2]" 1
592 1 51 VAL H 1 52 GLY H . . 4.690 4.329 4.269 4.389 . 0 0 "[ . 1 . 2]" 1
593 1 28 THR H 1 100 PHE QD . . 4.840 4.068 3.674 4.828 . 0 0 "[ . 1 . 2]" 1
594 1 27 TYR QD 1 28 THR H . . 4.120 3.706 3.578 3.909 . 0 0 "[ . 1 . 2]" 1
595 1 27 TYR HA 1 28 THR H . . 3.070 2.201 2.162 2.238 . 0 0 "[ . 1 . 2]" 1
596 1 28 THR H 1 100 PHE HA . . 4.520 3.958 3.841 4.033 . 0 0 "[ . 1 . 2]" 1
597 1 28 THR H 1 102 VAL HA . . 4.020 3.889 3.795 4.016 . 0 0 "[ . 1 . 2]" 1
598 1 28 THR H 1 28 THR HB . . 3.770 2.749 2.693 2.893 . 0 0 "[ . 1 . 2]" 1
599 1 52 GLY H 1 61 ASP HB3 . . 5.140 5.105 4.912 5.147 0.007 13 0 "[ . 1 . 2]" 1
600 1 28 THR H 1 29 GLY HA2 . . 5.450 4.807 4.742 4.888 . 0 0 "[ . 1 . 2]" 1
601 1 51 VAL HB 1 52 GLY H . . 4.460 4.312 3.663 4.377 . 0 0 "[ . 1 . 2]" 1
602 1 28 THR H 1 28 THR MG . . 4.190 3.888 3.830 3.957 . 0 0 "[ . 1 . 2]" 1
603 1 51 VAL MG1 1 52 GLY H . . 4.460 3.217 3.082 4.054 . 0 0 "[ . 1 . 2]" 1
604 1 49 PHE QE 1 52 GLY H . . 4.190 3.672 3.454 3.963 . 0 0 "[ . 1 . 2]" 1
605 1 49 PHE QD 1 52 GLY H . . 4.810 4.032 3.958 4.136 . 0 0 "[ . 1 . 2]" 1
606 1 52 GLY H 1 61 ASP HA . . 4.260 3.699 3.556 3.950 . 0 0 "[ . 1 . 2]" 1
607 1 51 VAL HA 1 52 GLY H . . 2.870 2.179 2.160 2.202 . 0 0 "[ . 1 . 2]" 1
608 1 52 GLY H 1 61 ASP HB2 . . 4.900 4.307 3.466 4.606 . 0 0 "[ . 1 . 2]" 1
609 1 51 VAL MG2 1 52 GLY H . . 4.460 4.261 4.178 4.289 . 0 0 "[ . 1 . 2]" 1
610 1 78 SER HB2 1 80 ASP H . . 4.960 3.204 2.243 4.061 . 0 0 "[ . 1 . 2]" 1
611 1 80 ASP H 1 82 ALA H . . 4.980 4.028 3.993 4.071 . 0 0 "[ . 1 . 2]" 1
612 1 78 SER HB3 1 80 ASP H . . 4.960 2.986 2.244 4.008 . 0 0 "[ . 1 . 2]" 1
613 1 79 PRO QD 1 80 ASP H . . 4.460 2.614 2.602 2.624 . 0 0 "[ . 1 . 2]" 1
614 1 80 ASP H 1 81 TYR QB . . 4.940 4.494 4.417 4.532 . 0 0 "[ . 1 . 2]" 1
615 1 79 PRO QB 1 80 ASP H . . 4.110 3.296 3.219 3.339 . 0 0 "[ . 1 . 2]" 1
616 1 13 GLU H 1 14 ALA H . . 3.500 2.846 2.687 2.993 . 0 0 "[ . 1 . 2]" 1
617 1 13 GLU H 1 16 TYR QE . . 5.390 4.999 4.769 5.202 . 0 0 "[ . 1 . 2]" 1
618 1 13 GLU H 1 68 SER HG . . 3.370 2.046 1.955 2.260 . 0 0 "[ . 1 . 2]" 1
619 1 13 GLU H 1 68 SER HB2 . . 3.540 2.151 1.963 2.538 . 0 0 "[ . 1 . 2]" 1
620 1 12 ASP HB2 1 13 GLU H . . 4.750 3.609 2.684 4.216 . 0 0 "[ . 1 . 2]" 1
621 1 13 GLU H 1 13 GLU HG2 . . 4.870 3.740 2.935 4.806 . 0 0 "[ . 1 . 2]" 1
622 1 13 GLU H 1 13 GLU HG3 . . 4.870 3.474 2.693 4.187 . 0 0 "[ . 1 . 2]" 1
623 1 13 GLU H 1 14 ALA MB . . 4.680 4.489 4.396 4.566 . 0 0 "[ . 1 . 2]" 1
624 1 13 GLU H 1 68 SER HA . . 5.170 4.704 4.497 5.059 . 0 0 "[ . 1 . 2]" 1
625 1 95 ASN HA 1 95 ASN HD21 . . 4.860 4.043 3.933 4.183 . 0 0 "[ . 1 . 2]" 1
626 1 95 ASN HA 1 95 ASN HD22 . . 4.860 4.634 4.513 4.703 . 0 0 "[ . 1 . 2]" 1
627 1 12 ASP HB3 1 13 GLU H . . 4.750 3.151 2.594 4.034 . 0 0 "[ . 1 . 2]" 1
628 1 94 PRO HB2 1 95 ASN HD21 . . 5.020 2.437 2.388 2.670 . 0 0 "[ . 1 . 2]" 1
629 1 94 PRO HB3 1 95 ASN HD22 . . 4.740 4.176 4.066 4.455 . 0 0 "[ . 1 . 2]" 1
630 1 32 ALA H 1 33 ASP H . . 4.050 2.670 2.639 2.677 . 0 0 "[ . 1 . 2]" 1
631 1 33 ASP H 1 34 GLY H . . 3.210 2.369 2.341 2.394 . 0 0 "[ . 1 . 2]" 1
632 1 31 LEU HA 1 33 ASP H . . 4.220 4.005 3.989 4.051 . 0 0 "[ . 1 . 2]" 1
633 1 33 ASP H 1 34 GLY HA2 . . 4.880 4.783 4.757 4.806 . 0 0 "[ . 1 . 2]" 1
634 1 33 ASP H 1 33 ASP HB2 . . 3.680 2.551 2.248 3.622 . 0 0 "[ . 1 . 2]" 1
635 1 33 ASP H 1 33 ASP HB3 . . 3.680 3.339 2.474 3.635 . 0 0 "[ . 1 . 2]" 1
636 1 31 LEU HB3 1 33 ASP H . . 3.780 2.348 2.317 2.431 . 0 0 "[ . 1 . 2]" 1
637 1 31 LEU HB2 1 33 ASP H . . 3.620 3.212 3.089 3.272 . 0 0 "[ . 1 . 2]" 1
638 1 94 PRO HB3 1 95 ASN HD21 . . 4.740 3.837 3.777 4.096 . 0 0 "[ . 1 . 2]" 1
639 1 32 ALA MB 1 33 ASP H . . 3.420 2.993 2.928 3.039 . 0 0 "[ . 1 . 2]" 1
640 1 31 LEU MD1 1 33 ASP H . . 4.840 4.058 4.030 4.077 . 0 0 "[ . 1 . 2]" 1
641 1 31 LEU MD2 1 33 ASP H . . 4.840 4.104 4.024 4.301 . 0 0 "[ . 1 . 2]" 1
642 1 62 GLU H 1 64 VAL H . . 4.900 4.692 4.543 4.776 . 0 0 "[ . 1 . 2]" 1
643 1 61 ASP H 1 62 GLU H . . 3.380 3.073 3.043 3.094 . 0 0 "[ . 1 . 2]" 1
644 1 59 GLY HA2 1 62 GLU H . . 4.380 4.073 3.988 4.173 . 0 0 "[ . 1 . 2]" 1
645 1 62 GLU H 1 63 GLY QA . . 4.620 4.528 4.495 4.598 . 0 0 "[ . 1 . 2]" 1
646 1 61 ASP HB3 1 62 GLU H . . 3.490 2.095 2.055 2.307 . 0 0 "[ . 1 . 2]" 1
647 1 62 GLU H 1 62 GLU HB2 . . 3.760 2.435 2.223 3.591 . 0 0 "[ . 1 . 2]" 1
648 1 62 GLU H 1 62 GLU HB3 . . 3.760 3.518 2.659 3.594 . 0 0 "[ . 1 . 2]" 1
649 1 3 VAL MG2 1 62 GLU H . . 5.500 4.699 4.281 5.145 . 0 0 "[ . 1 . 2]" 1
650 1 3 VAL MG1 1 62 GLU H . . 5.500 4.450 4.224 4.867 . 0 0 "[ . 1 . 2]" 1
651 1 62 GLU H 1 75 LEU MD2 . . 5.500 4.938 4.693 5.200 . 0 0 "[ . 1 . 2]" 1
652 1 62 GLU H 1 75 LEU MD1 . . 5.500 5.206 5.008 5.408 . 0 0 "[ . 1 . 2]" 1
653 1 56 VAL MG2 1 62 GLU H . . 5.500 5.505 5.416 5.525 0.025 11 0 "[ . 1 . 2]" 1
654 1 64 VAL H 1 66 GLN H . . 4.340 4.301 4.171 4.351 0.011 20 0 "[ . 1 . 2]" 1
655 1 65 ALA H 1 66 GLN H . . 3.290 2.724 2.667 2.762 . 0 0 "[ . 1 . 2]" 1
656 1 65 ALA MB 1 66 GLN H . . 3.460 2.691 2.622 2.787 . 0 0 "[ . 1 . 2]" 1
657 1 54 GLY H 1 55 GLU H . . 3.380 2.710 2.639 2.804 . 0 0 "[ . 1 . 2]" 1
658 1 54 GLY H 1 56 VAL H . . 4.690 4.688 4.591 4.702 0.012 11 0 "[ . 1 . 2]" 1
659 1 54 GLY H 1 54 GLY QA . . 2.730 2.267 2.248 2.290 . 0 0 "[ . 1 . 2]" 1
660 1 53 ARG HB2 1 54 GLY H . . 4.100 3.680 3.467 3.831 . 0 0 "[ . 1 . 2]" 1
661 1 54 GLY H 1 55 GLU QG . . 4.550 3.360 3.057 3.554 . 0 0 "[ . 1 . 2]" 1
662 1 53 ARG HB3 1 54 GLY H . . 4.100 2.232 2.029 2.426 . 0 0 "[ . 1 . 2]" 1
663 1 53 ARG HG3 1 54 GLY H . . 4.710 4.375 4.239 4.540 . 0 0 "[ . 1 . 2]" 1
664 1 54 GLY H 1 56 VAL MG2 . . 5.500 5.174 5.042 5.319 . 0 0 "[ . 1 . 2]" 1
665 1 105 LEU H 1 106 ARG H . . 3.200 2.034 1.963 2.174 . 0 0 "[ . 1 . 2]" 1
666 1 106 ARG H 1 107 VAL HA . . 5.000 4.670 4.598 4.785 . 0 0 "[ . 1 . 2]" 1
667 1 106 ARG H 1 106 ARG QD . . 4.520 4.341 2.592 4.602 0.082 10 0 "[ . 1 . 2]" 1
668 1 24 VAL H 1 106 ARG H . . 3.510 3.450 3.288 3.545 0.035 18 0 "[ . 1 . 2]" 1
669 1 25 VAL HA 1 106 ARG H . . 4.530 4.019 3.830 4.212 . 0 0 "[ . 1 . 2]" 1
670 1 104 LEU HA 1 106 ARG H . . 4.470 3.915 3.778 4.146 . 0 0 "[ . 1 . 2]" 1
671 1 57 ILE H 1 60 TRP H . . 4.100 3.979 3.887 4.060 . 0 0 "[ . 1 . 2]" 1
672 1 56 VAL HA 1 57 ILE H . . 3.150 2.612 2.608 2.626 . 0 0 "[ . 1 . 2]" 1
673 1 57 ILE H 1 60 TRP HB2 . . 4.210 2.881 2.755 2.976 . 0 0 "[ . 1 . 2]" 1
674 1 57 ILE H 1 60 TRP HB3 . . 4.430 4.362 4.246 4.452 0.022 11 0 "[ . 1 . 2]" 1
675 1 57 ILE H 1 57 ILE HB . . 4.170 3.656 3.651 3.670 . 0 0 "[ . 1 . 2]" 1
676 1 56 VAL HB 1 57 ILE H . . 3.060 1.944 1.928 1.951 . 0 0 "[ . 1 . 2]" 1
677 1 57 ILE H 1 57 ILE HG13 . . 3.550 2.326 2.255 2.359 . 0 0 "[ . 1 . 2]" 1
678 1 57 ILE H 1 57 ILE MD . . 3.960 3.751 3.731 3.765 . 0 0 "[ . 1 . 2]" 1
679 1 57 ILE H 1 57 ILE HG12 . . 3.280 2.347 2.270 2.404 . 0 0 "[ . 1 . 2]" 1
680 1 57 ILE H 1 57 ILE MG . . 3.020 2.681 2.608 2.794 . 0 0 "[ . 1 . 2]" 1
681 1 1 MET HA 1 4 GLN HE21 . . 4.860 4.350 3.592 4.843 . 0 0 "[ . 1 . 2]" 1
682 1 1 MET HA 1 4 GLN HE22 . . 4.860 3.137 2.602 4.178 . 0 0 "[ . 1 . 2]" 1
683 1 3 VAL MG1 1 4 GLN HE21 . . 5.100 4.768 4.014 5.107 0.007 8 0 "[ . 1 . 2]" 1
684 1 3 VAL MG1 1 4 GLN HE22 . . 5.100 4.677 4.315 5.074 . 0 0 "[ . 1 . 2]" 1
685 1 63 GLY QA 1 66 GLN HE22 . . 4.270 3.844 3.404 4.245 . 0 0 "[ . 1 . 2]" 1
686 1 63 GLY QA 1 66 GLN HE21 . . 3.920 2.691 2.050 3.189 . 0 0 "[ . 1 . 2]" 1
687 1 66 GLN HB2 1 66 GLN HE21 . . 4.800 3.267 2.222 4.443 . 0 0 "[ . 1 . 2]" 1
688 1 66 GLN HB3 1 66 GLN HE21 . . 4.800 3.612 3.163 4.008 . 0 0 "[ . 1 . 2]" 1
689 1 65 ALA MB 1 66 GLN HE21 . . 4.970 4.178 3.771 4.772 . 0 0 "[ . 1 . 2]" 1
690 1 3 VAL MG2 1 66 GLN HE22 . . 4.460 3.769 3.239 4.303 . 0 0 "[ . 1 . 2]" 1
691 1 3 VAL MG1 1 66 GLN HE22 . . 4.660 3.249 2.825 3.628 . 0 0 "[ . 1 . 2]" 1
692 1 3 VAL MG2 1 66 GLN HE21 . . 5.280 3.997 3.365 4.770 . 0 0 "[ . 1 . 2]" 1
693 1 3 VAL MG1 1 66 GLN HE21 . . 5.500 3.876 3.324 4.388 . 0 0 "[ . 1 . 2]" 1
694 1 21 GLN HA 1 21 GLN HE21 . . 5.040 4.557 4.347 4.674 . 0 0 "[ . 1 . 2]" 1
695 1 21 GLN HB3 1 21 GLN HE22 . . 4.480 3.549 3.431 3.926 . 0 0 "[ . 1 . 2]" 1
696 1 21 GLN HB3 1 21 GLN HE21 . . 4.200 2.351 1.983 2.633 . 0 0 "[ . 1 . 2]" 1
697 1 19 ALA HA 1 20 GLY H . . 2.800 2.150 2.145 2.154 . 0 0 "[ . 1 . 2]" 1
698 1 19 ALA MB 1 20 GLY H . . 3.360 3.291 3.129 3.361 0.001 20 0 "[ . 1 . 2]" 1
699 1 20 GLY H 1 21 GLN HB2 . . 4.650 4.512 4.419 4.663 0.013 3 0 "[ . 1 . 2]" 1
700 1 10 ALA HA 1 71 GLN HE22 . . 5.500 5.511 5.497 5.520 0.020 8 0 "[ . 1 . 2]" 1
701 1 10 ALA HA 1 71 GLN HE21 . . 4.870 4.655 4.559 4.788 . 0 0 "[ . 1 . 2]" 1
702 1 7 THR HA 1 71 GLN HE22 . . 4.730 3.617 3.373 3.949 . 0 0 "[ . 1 . 2]" 1
703 1 7 THR HA 1 71 GLN HE21 . . 4.400 3.523 3.326 3.840 . 0 0 "[ . 1 . 2]" 1
704 1 67 MET ME 1 71 GLN HE21 . . 4.660 3.362 2.084 3.762 . 0 0 "[ . 1 . 2]" 1
705 1 7 THR MG 1 71 GLN HE22 . . 3.880 3.346 2.959 3.677 . 0 0 "[ . 1 . 2]" 1
706 1 7 THR MG 1 71 GLN HE21 . . 3.640 3.144 2.777 3.630 . 0 0 "[ . 1 . 2]" 1
707 1 55 GLU H 1 56 VAL H . . 3.110 2.279 2.121 2.410 . 0 0 "[ . 1 . 2]" 1
708 1 54 GLY QA 1 56 VAL H . . 3.750 3.492 3.304 3.570 . 0 0 "[ . 1 . 2]" 1
709 1 55 GLU HB2 1 56 VAL H . . 3.690 3.043 2.954 3.236 . 0 0 "[ . 1 . 2]" 1
710 1 56 VAL H 1 56 VAL HB . . 4.140 3.713 3.690 3.793 . 0 0 "[ . 1 . 2]" 1
711 1 33 ASP HB2 1 34 GLY H . . 4.560 3.487 3.212 4.282 . 0 0 "[ . 1 . 2]" 1
712 1 32 ALA MB 1 34 GLY H . . 4.530 4.407 4.394 4.437 . 0 0 "[ . 1 . 2]" 1
713 1 30 THR MG 1 34 GLY H . . 4.570 4.327 4.225 4.441 . 0 0 "[ . 1 . 2]" 1
714 1 83 TYR QD 1 84 GLY H . . 4.760 3.588 3.368 4.261 . 0 0 "[ . 1 . 2]" 1
715 1 33 ASP HB3 1 34 GLY H . . 4.560 3.925 3.221 4.283 . 0 0 "[ . 1 . 2]" 1
716 1 83 TYR H 1 84 GLY H . . 3.480 2.620 2.544 2.647 . 0 0 "[ . 1 . 2]" 1
717 1 82 ALA H 1 84 GLY H . . 3.980 3.764 3.708 3.801 . 0 0 "[ . 1 . 2]" 1
718 1 79 PRO HA 1 84 GLY H . . 3.580 2.666 2.482 2.933 . 0 0 "[ . 1 . 2]" 1
719 1 79 PRO QB 1 84 GLY H . . 3.750 3.482 3.317 3.725 . 0 0 "[ . 1 . 2]" 1
720 1 63 GLY H 1 64 VAL H . . 3.220 3.081 3.035 3.112 . 0 0 "[ . 1 . 2]" 1
721 1 62 GLU H 1 63 GLY H . . 3.210 2.694 2.659 2.800 . 0 0 "[ . 1 . 2]" 1
722 1 63 GLY H 1 66 GLN HE21 . . 4.440 4.014 3.508 4.387 . 0 0 "[ . 1 . 2]" 1
723 1 63 GLY H 1 65 ALA H . . 4.290 4.002 3.965 4.309 0.019 3 0 "[ . 1 . 2]" 1
724 1 63 GLY H 1 63 GLY QA . . 2.780 2.190 2.189 2.191 . 0 0 "[ . 1 . 2]" 1
725 1 61 ASP HB3 1 63 GLY H . . 4.950 4.673 4.622 4.805 . 0 0 "[ . 1 . 2]" 1
726 1 62 GLU HB2 1 63 GLY H . . 3.730 2.616 2.387 3.535 . 0 0 "[ . 1 . 2]" 1
727 1 62 GLU HB3 1 63 GLY H . . 3.730 3.443 3.225 3.890 0.160 16 0 "[ . 1 . 2]" 1
728 1 63 GLY H 1 65 ALA MB . . 4.610 4.345 4.301 4.616 0.006 3 0 "[ . 1 . 2]" 1
729 1 3 VAL MG2 1 63 GLY H . . 3.830 3.303 2.852 3.669 . 0 0 "[ . 1 . 2]" 1
730 1 63 GLY H 1 75 LEU MD2 . . 4.020 3.066 2.790 3.278 . 0 0 "[ . 1 . 2]" 1
731 1 63 GLY H 1 75 LEU MD1 . . 4.020 3.037 2.827 3.267 . 0 0 "[ . 1 . 2]" 1
732 1 82 ALA MB 1 84 GLY H . . 3.260 2.350 2.205 2.401 . 0 0 "[ . 1 . 2]" 1
733 1 11 GLY H 1 12 ASP H . . 4.160 3.740 3.637 3.862 . 0 0 "[ . 1 . 2]" 1
734 1 11 GLY H 1 68 SER HG . . 4.520 3.291 3.061 3.411 . 0 0 "[ . 1 . 2]" 1
735 1 10 ALA HA 1 11 GLY H . . 2.770 2.258 2.192 2.348 . 0 0 "[ . 1 . 2]" 1
736 1 11 GLY H 1 71 GLN QB . . 3.580 3.058 2.758 3.294 . 0 0 "[ . 1 . 2]" 1
737 1 7 THR MG 1 11 GLY H . . 4.920 4.717 4.449 4.920 . 0 0 "[ . 1 . 2]" 1
738 1 68 SER H 1 69 VAL H . . 4.680 4.475 4.454 4.495 . 0 0 "[ . 1 . 2]" 1
739 1 16 TYR QD 1 68 SER H . . 4.920 4.584 4.178 4.902 . 0 0 "[ . 1 . 2]" 1
740 1 16 TYR QE 1 68 SER H . . 4.560 4.171 3.893 4.426 . 0 0 "[ . 1 . 2]" 1
741 1 68 SER H 1 68 SER HG . . 3.470 3.441 3.361 3.477 0.007 2 0 "[ . 1 . 2]" 1
742 1 67 MET HA 1 68 SER H . . 3.190 2.335 2.265 2.376 . 0 0 "[ . 1 . 2]" 1
743 1 68 SER H 1 71 GLN HA . . 5.500 5.239 5.155 5.354 . 0 0 "[ . 1 . 2]" 1
744 1 68 SER H 1 68 SER HB2 . . 4.150 3.695 3.623 3.734 . 0 0 "[ . 1 . 2]" 1
745 1 13 GLU HA 1 68 SER H . . 5.290 5.128 4.940 5.304 0.014 14 0 "[ . 1 . 2]" 1
746 1 67 MET HB3 1 68 SER H . . 3.940 2.618 2.513 2.803 . 0 0 "[ . 1 . 2]" 1
747 1 68 SER H 1 104 LEU HG . . 5.500 4.352 4.196 4.445 . 0 0 "[ . 1 . 2]" 1
748 1 43 ARG H 1 44 GLY H . . 4.910 2.310 1.979 2.513 . 0 0 "[ . 1 . 2]" 1
749 1 44 GLY H 1 45 LYS HA . . 5.490 5.326 4.984 5.445 . 0 0 "[ . 1 . 2]" 1
750 1 43 ARG HG3 1 44 GLY H . . 5.500 4.860 3.445 5.519 0.019 16 0 "[ . 1 . 2]" 1
751 1 87 GLY H 1 88 HIS H . . 4.650 4.542 4.199 4.645 . 0 0 "[ . 1 . 2]" 1
752 1 86 ARG H 1 87 GLY H . . 4.280 2.766 2.463 2.930 . 0 0 "[ . 1 . 2]" 1
753 1 83 TYR HA 1 87 GLY H . . 4.820 4.768 4.519 4.844 0.024 8 0 "[ . 1 . 2]" 1
754 1 86 ARG QD 1 87 GLY H . . 4.060 3.324 2.160 4.063 0.003 9 0 "[ . 1 . 2]" 1
755 1 86 ARG QB 1 87 GLY H . . 3.430 2.564 2.144 3.405 . 0 0 "[ . 1 . 2]" 1
756 1 86 ARG HG2 1 87 GLY H . . 4.820 3.945 3.538 4.604 . 0 0 "[ . 1 . 2]" 1
757 1 87 GLY H 1 92 ILE MG . . 4.720 3.592 3.374 3.713 . 0 0 "[ . 1 . 2]" 1
758 1 59 GLY H 1 81 TYR H . . 5.500 5.547 5.529 5.574 0.074 8 0 "[ . 1 . 2]" 1
759 1 51 VAL H 1 53 ARG H . . 5.070 4.641 4.573 4.741 . 0 0 "[ . 1 . 2]" 1
760 1 9 ALA H 1 73 ALA H . . 5.040 4.927 4.845 4.976 . 0 0 "[ . 1 . 2]" 1
761 1 69 VAL HA 1 105 LEU H . . 5.020 4.385 4.311 4.472 . 0 0 "[ . 1 . 2]" 1
762 1 8 LEU H 1 73 ALA H . . 5.290 4.477 4.265 4.658 . 0 0 "[ . 1 . 2]" 1
763 1 23 ALA H 1 49 PHE QD . . 5.080 4.725 4.592 4.849 . 0 0 "[ . 1 . 2]" 1
764 1 23 ALA H 1 24 VAL HA . . 5.470 4.787 4.604 5.023 . 0 0 "[ . 1 . 2]" 1
765 1 23 ALA H 1 49 PHE HA . . 5.500 4.432 4.233 4.723 . 0 0 "[ . 1 . 2]" 1
766 1 27 TYR H 1 103 GLU H . . 5.390 4.886 4.807 5.019 . 0 0 "[ . 1 . 2]" 1
767 1 73 ALA H 1 103 GLU H . . 5.500 5.011 4.841 5.145 . 0 0 "[ . 1 . 2]" 1
768 1 27 TYR HA 1 102 VAL H . . 5.090 4.760 4.659 4.915 . 0 0 "[ . 1 . 2]" 1
769 1 30 THR HA 1 36 VAL H . . 5.000 4.894 4.833 4.945 . 0 0 "[ . 1 . 2]" 1
770 1 35 LYS QE 1 36 VAL H . . 5.310 4.542 3.248 5.304 . 0 0 "[ . 1 . 2]" 1
771 1 77 CYS H 1 100 PHE QD . . 5.500 4.628 4.184 5.410 . 0 0 "[ . 1 . 2]" 1
772 1 7 THR H 1 7 THR HG1 . . 5.060 2.735 1.954 3.162 . 0 0 "[ . 1 . 2]" 1
773 1 58 ARG H 1 81 TYR QD . . 5.120 4.943 4.888 5.046 . 0 0 "[ . 1 . 2]" 1
774 1 32 ALA H 1 34 GLY H . . 5.010 4.096 4.082 4.121 . 0 0 "[ . 1 . 2]" 1
775 1 18 LYS H 1 21 GLN HE22 . . 5.010 3.465 3.142 3.897 . 0 0 "[ . 1 . 2]" 1
776 1 26 HIS HE1 1 41 ARG H . . 5.080 4.392 3.936 4.778 . 0 0 "[ . 1 . 2]" 1
777 1 29 GLY HA2 1 100 PHE H . . 5.500 5.539 5.505 5.568 0.068 12 0 "[ . 1 . 2]" 1
778 1 16 TYR HA 1 67 MET H . . 5.410 5.246 4.669 5.411 0.001 17 0 "[ . 1 . 2]" 1
779 1 31 LEU HA 1 35 LYS H . . 5.500 5.393 5.338 5.508 0.008 10 0 "[ . 1 . 2]" 1
780 1 49 PHE HZ 1 61 ASP H . . 5.100 4.775 4.327 5.039 . 0 0 "[ . 1 . 2]" 1
781 1 24 VAL H 1 48 ARG HA . . 5.040 4.595 4.508 4.679 . 0 0 "[ . 1 . 2]" 1
782 1 6 VAL HA 1 74 LYS H . . 5.150 4.483 4.220 4.792 . 0 0 "[ . 1 . 2]" 1
783 1 91 VAL H 1 92 ILE HG13 . . 5.040 4.839 4.749 4.870 . 0 0 "[ . 1 . 2]" 1
784 1 12 ASP HB2 1 14 ALA H . . 5.020 3.984 2.989 4.724 . 0 0 "[ . 1 . 2]" 1
785 1 12 ASP HB3 1 14 ALA H . . 5.020 3.015 2.437 4.882 . 0 0 "[ . 1 . 2]" 1
786 1 42 THR HB 1 43 ARG H . . 5.280 3.304 2.631 4.122 . 0 0 "[ . 1 . 2]" 1
787 1 77 CYS H 1 99 THR H . . 5.440 5.180 5.150 5.214 . 0 0 "[ . 1 . 2]" 1
788 1 61 ASP HA 1 65 ALA H . . 5.050 4.177 4.142 4.211 . 0 0 "[ . 1 . 2]" 1
789 1 65 ALA H 1 67 MET HG2 . . 5.500 5.320 5.201 5.697 0.197 20 0 "[ . 1 . 2]" 1
790 1 50 THR HA 1 52 GLY H . . 5.500 5.467 5.342 5.588 0.088 11 0 "[ . 1 . 2]" 1
791 1 13 GLU H 1 14 ALA HA . . 5.500 5.426 5.316 5.513 0.013 5 0 "[ . 1 . 2]" 1
792 1 94 PRO HB2 1 95 ASN HD22 . . 5.020 3.339 3.189 3.740 . 0 0 "[ . 1 . 2]" 1
793 1 66 GLN H 1 67 MET HA . . 5.130 4.879 4.851 4.948 . 0 0 "[ . 1 . 2]" 1
794 1 66 GLN HA 1 66 GLN HE21 . . 5.500 5.061 4.603 5.508 0.008 2 0 "[ . 1 . 2]" 1
795 1 67 MET HA 1 71 GLN HE22 . . 5.170 3.718 3.423 4.007 . 0 0 "[ . 1 . 2]" 1
796 1 8 LEU MD1 1 71 GLN HE21 . . 5.500 5.500 5.462 5.515 0.015 10 0 "[ . 1 . 2]" 1
797 1 30 THR HA 1 34 GLY H . . 5.500 5.538 5.521 5.565 0.065 6 0 "[ . 1 . 2]" 1
798 1 31 LEU HA 1 34 GLY H . . 5.080 4.474 4.451 4.514 . 0 0 "[ . 1 . 2]" 1
799 1 61 ASP HA 1 63 GLY H . . 5.100 4.824 4.789 4.960 . 0 0 "[ . 1 . 2]" 1
800 1 87 GLY H 1 88 HIS HA . . 5.500 5.616 5.530 5.695 0.195 19 0 "[ . 1 . 2]" 1
801 1 11 GLY HA2 1 12 ASP H . . 3.360 3.218 3.155 3.272 . 0 0 "[ . 1 . 2]" 1
802 1 63 GLY QA 1 64 VAL H . . 3.240 2.495 2.457 2.554 . 0 0 "[ . 1 . 2]" 1
803 1 76 VAL HB 1 77 CYS H . . 4.560 4.397 4.377 4.414 . 0 0 "[ . 1 . 2]" 1
804 1 4 GLN H 1 4 GLN HB2 . . 3.690 2.470 2.375 2.732 . 0 0 "[ . 1 . 2]" 1
805 1 8 LEU H 1 8 LEU HB2 . . 3.850 2.557 2.467 2.752 . 0 0 "[ . 1 . 2]" 1
806 1 8 LEU H 1 8 LEU HB3 . . 3.850 3.717 3.664 3.812 . 0 0 "[ . 1 . 2]" 1
807 1 7 THR MG 1 8 LEU H . . 3.420 2.441 2.146 2.695 . 0 0 "[ . 1 . 2]" 1
808 1 22 VAL HB 1 23 ALA H . . 4.310 4.013 3.705 4.268 . 0 0 "[ . 1 . 2]" 1
809 1 22 VAL MG1 1 23 ALA H . . 4.380 2.835 2.070 4.017 . 0 0 "[ . 1 . 2]" 1
810 1 26 HIS H 1 26 HIS HB3 . . 3.810 3.473 3.414 3.541 . 0 0 "[ . 1 . 2]" 1
811 1 26 HIS H 1 26 HIS HB2 . . 3.810 2.345 2.296 2.448 . 0 0 "[ . 1 . 2]" 1
812 1 38 ASP HB3 1 39 SER H . . 4.740 3.838 3.622 3.991 . 0 0 "[ . 1 . 2]" 1
813 1 37 PHE HB3 1 38 ASP H . . 3.890 1.977 1.945 2.006 . 0 0 "[ . 1 . 2]" 1
814 1 39 SER HB3 1 40 SER H . . 4.380 3.884 3.073 4.249 . 0 0 "[ . 1 . 2]" 1
815 1 40 SER HB3 1 41 ARG H . . 4.820 3.364 2.880 4.219 . 0 0 "[ . 1 . 2]" 1
816 1 41 ARG H 1 41 ARG HB3 . . 3.760 3.098 2.620 3.613 . 0 0 "[ . 1 . 2]" 1
817 1 41 ARG H 1 41 ARG HB2 . . 3.760 3.142 2.467 3.608 . 0 0 "[ . 1 . 2]" 1
818 1 86 ARG HG3 1 87 GLY H . . 4.820 3.126 1.906 4.742 . 0 0 "[ . 1 . 2]" 1
819 1 49 PHE QE 1 50 THR H . . 5.310 5.227 5.072 5.330 0.020 12 0 "[ . 1 . 2]" 1
820 1 50 THR MG 1 51 VAL H . . 3.300 2.996 2.811 3.189 . 0 0 "[ . 1 . 2]" 1
821 1 51 VAL H 1 51 VAL MG2 . . 3.910 2.029 1.913 2.078 . 0 0 "[ . 1 . 2]" 1
822 1 55 GLU QG 1 56 VAL H . . 4.280 4.110 3.935 4.235 . 0 0 "[ . 1 . 2]" 1
823 1 55 GLU H 1 55 GLU QG . . 3.340 2.386 2.267 2.531 . 0 0 "[ . 1 . 2]" 1
824 1 55 GLU H 1 55 GLU HB3 . . 3.810 3.639 3.613 3.690 . 0 0 "[ . 1 . 2]" 1
825 1 55 GLU HB3 1 56 VAL H . . 4.160 4.023 3.931 4.124 . 0 0 "[ . 1 . 2]" 1
826 1 56 VAL MG2 1 57 ILE H . . 3.700 3.253 3.128 3.299 . 0 0 "[ . 1 . 2]" 1
827 1 56 VAL H 1 56 VAL MG1 . . 3.480 3.021 2.930 3.117 . 0 0 "[ . 1 . 2]" 1
828 1 56 VAL H 1 56 VAL MG2 . . 3.030 1.976 1.915 2.169 . 0 0 "[ . 1 . 2]" 1
829 1 58 ARG HB3 1 59 GLY H . . 3.780 3.611 3.569 3.669 . 0 0 "[ . 1 . 2]" 1
830 1 58 ARG H 1 58 ARG HB3 . . 3.630 3.589 3.580 3.591 . 0 0 "[ . 1 . 2]" 1
831 1 58 ARG H 1 58 ARG HG3 . . 3.550 3.159 2.209 3.519 . 0 0 "[ . 1 . 2]" 1
832 1 58 ARG H 1 58 ARG HG2 . . 3.550 2.151 1.938 2.768 . 0 0 "[ . 1 . 2]" 1
833 1 58 ARG H 1 58 ARG HB2 . . 3.360 2.601 2.546 2.683 . 0 0 "[ . 1 . 2]" 1
834 1 60 TRP HB2 1 61 ASP H . . 3.390 2.698 2.647 2.758 . 0 0 "[ . 1 . 2]" 1
835 1 60 TRP HB3 1 61 ASP H . . 3.460 3.384 3.321 3.444 . 0 0 "[ . 1 . 2]" 1
836 1 61 ASP H 1 61 ASP HB3 . . 3.060 2.925 2.358 3.061 0.001 13 0 "[ . 1 . 2]" 1
837 1 62 GLU HG2 1 63 GLY H . . 4.960 4.564 1.939 5.041 0.081 11 0 "[ . 1 . 2]" 1
838 1 62 GLU HG3 1 63 GLY H . . 4.960 4.534 2.547 4.959 . 0 0 "[ . 1 . 2]" 1
839 1 65 ALA H 1 66 GLN HA . . 5.370 5.336 5.295 5.368 . 0 0 "[ . 1 . 2]" 1
840 1 63 GLY QA 1 65 ALA H . . 4.250 3.918 3.818 4.134 . 0 0 "[ . 1 . 2]" 1
841 1 67 MET HB2 1 68 SER H . . 3.940 3.897 3.800 3.979 0.039 18 0 "[ . 1 . 2]" 1
842 1 68 SER H 1 68 SER HB3 . . 3.860 3.251 3.196 3.304 . 0 0 "[ . 1 . 2]" 1
843 1 68 SER HB3 1 69 VAL H . . 4.190 3.835 3.729 3.907 . 0 0 "[ . 1 . 2]" 1
844 1 69 VAL H 1 69 VAL MG2 . . 2.990 1.994 1.927 2.164 . 0 0 "[ . 1 . 2]" 1
845 1 69 VAL H 1 69 VAL MG1 . . 3.830 3.765 3.762 3.767 . 0 0 "[ . 1 . 2]" 1
846 1 71 GLN QB 1 72 ARG H . . 3.610 3.552 3.393 3.605 . 0 0 "[ . 1 . 2]" 1
847 1 71 GLN HG3 1 72 ARG H . . 3.910 3.897 3.636 3.936 0.026 13 0 "[ . 1 . 2]" 1
848 1 72 ARG HG2 1 73 ALA H . . 3.810 3.139 2.344 3.535 . 0 0 "[ . 1 . 2]" 1
849 1 72 ARG HB2 1 73 ALA H . . 4.410 4.114 4.041 4.291 . 0 0 "[ . 1 . 2]" 1
850 1 72 ARG HD3 1 73 ALA H . . 5.380 4.958 4.286 5.366 . 0 0 "[ . 1 . 2]" 1
851 1 72 ARG HD2 1 73 ALA H . . 5.380 4.907 4.401 5.238 . 0 0 "[ . 1 . 2]" 1
852 1 75 LEU HG 1 76 VAL H . . 4.650 4.007 3.784 4.453 . 0 0 "[ . 1 . 2]" 1
853 1 75 LEU HB2 1 76 VAL H . . 4.840 4.586 4.557 4.635 . 0 0 "[ . 1 . 2]" 1
854 1 75 LEU H 1 75 LEU HB2 . . 3.590 2.634 2.319 2.801 . 0 0 "[ . 1 . 2]" 1
855 1 80 ASP HB3 1 81 TYR H . . 4.150 3.638 2.927 4.154 0.004 15 0 "[ . 1 . 2]" 1
856 1 80 ASP HB2 1 81 TYR H . . 4.150 3.322 2.969 4.073 . 0 0 "[ . 1 . 2]" 1
857 1 80 ASP H 1 80 ASP HB3 . . 3.940 3.293 2.504 3.593 . 0 0 "[ . 1 . 2]" 1
858 1 80 ASP H 1 80 ASP HB2 . . 3.940 2.448 2.209 3.587 . 0 0 "[ . 1 . 2]" 1
859 1 81 TYR HA 1 82 ALA H . . 3.240 3.100 3.074 3.131 . 0 0 "[ . 1 . 2]" 1
860 1 86 ARG H 1 86 ARG QB . . 3.730 2.338 2.152 2.691 . 0 0 "[ . 1 . 2]" 1
861 1 97 THR HB 1 98 LEU H . . 4.320 3.804 3.634 4.097 . 0 0 "[ . 1 . 2]" 1
862 1 98 LEU MD1 1 99 THR H . . 4.940 4.818 4.576 4.942 0.002 7 0 "[ . 1 . 2]" 1
863 1 98 LEU H 1 98 LEU HB3 . . 3.920 3.821 3.620 3.877 . 0 0 "[ . 1 . 2]" 1
864 1 98 LEU H 1 98 LEU MD1 . . 4.560 3.877 3.059 4.170 . 0 0 "[ . 1 . 2]" 1
865 1 100 PHE HB3 1 101 ASP H . . 3.650 3.466 3.362 3.540 . 0 0 "[ . 1 . 2]" 1
866 1 102 VAL HB 1 103 GLU H . . 4.300 3.815 3.023 4.210 . 0 0 "[ . 1 . 2]" 1
867 1 25 VAL HB 1 106 ARG H . . 5.500 5.601 5.565 5.648 0.148 16 0 "[ . 1 . 2]" 1
868 1 105 LEU HB3 1 106 ARG H . . 3.560 3.280 2.896 3.560 . 0 0 "[ . 1 . 2]" 1
869 1 105 LEU HB2 1 106 ARG H . . 3.500 2.879 2.524 3.052 . 0 0 "[ . 1 . 2]" 1
870 1 24 VAL MG1 1 105 LEU H . . 5.010 4.335 4.100 4.508 . 0 0 "[ . 1 . 2]" 1
871 1 106 ARG HB2 1 107 VAL H . . 3.770 2.815 2.269 3.663 . 0 0 "[ . 1 . 2]" 1
872 1 106 ARG H 1 106 ARG QG . . 3.390 2.861 2.568 3.410 0.020 15 0 "[ . 1 . 2]" 1
873 1 108 GLU H 1 108 GLU HB2 . . 3.280 2.773 2.639 2.915 . 0 0 "[ . 1 . 2]" 1
874 1 108 GLU H 1 108 GLU HB3 . . 3.980 3.837 3.731 3.917 . 0 0 "[ . 1 . 2]" 1
875 1 40 SER HB2 1 41 ARG H . . 4.820 3.926 3.455 4.399 . 0 0 "[ . 1 . 2]" 1
876 1 91 VAL MG1 1 92 ILE H . . 3.620 3.314 3.242 3.455 . 0 0 "[ . 1 . 2]" 1
877 1 92 ILE H 1 92 ILE MG . . 4.050 3.890 3.870 3.925 . 0 0 "[ . 1 . 2]" 1
878 1 36 VAL H 1 36 VAL MG2 . . 4.030 3.769 3.751 3.786 . 0 0 "[ . 1 . 2]" 1
879 1 36 VAL H 1 36 VAL MG1 . . 2.960 2.175 2.135 2.229 . 0 0 "[ . 1 . 2]" 1
880 1 43 ARG HG2 1 44 GLY H . . 5.500 5.017 4.010 5.498 . 0 0 "[ . 1 . 2]" 1
881 1 43 ARG HB3 1 44 GLY H . . 4.430 4.003 3.230 4.511 0.081 3 0 "[ . 1 . 2]" 1
882 1 43 ARG HB2 1 44 GLY H . . 4.430 3.979 3.245 4.428 . 0 0 "[ . 1 . 2]" 1
883 1 64 VAL H 1 64 VAL MG2 . . 4.060 3.677 2.360 3.754 . 0 0 "[ . 1 . 2]" 1
884 1 64 VAL H 1 75 LEU MD2 . . 4.670 3.662 3.178 4.686 0.016 1 0 "[ . 1 . 2]" 1
885 1 64 VAL H 1 64 VAL MG1 . . 4.060 2.367 2.253 3.759 . 0 0 "[ . 1 . 2]" 1
886 1 21 GLN HB2 1 21 GLN HE21 . . 3.380 2.478 2.168 2.883 . 0 0 "[ . 1 . 2]" 1
887 1 21 GLN HB2 1 21 GLN HE22 . . 4.390 3.838 3.586 3.954 . 0 0 "[ . 1 . 2]" 1
888 1 60 TRP H 1 62 GLU H . . 5.000 4.798 4.756 4.819 . 0 0 "[ . 1 . 2]" 1
889 1 36 VAL H 1 37 PHE H . . 4.640 4.604 4.582 4.616 . 0 0 "[ . 1 . 2]" 1
890 1 38 ASP H 1 39 SER H . . 4.630 4.582 4.555 4.621 . 0 0 "[ . 1 . 2]" 1
891 1 48 ARG H 1 49 PHE H . . 4.740 4.454 4.402 4.495 . 0 0 "[ . 1 . 2]" 1
892 1 56 VAL H 1 57 ILE H . . 4.520 4.430 4.397 4.440 . 0 0 "[ . 1 . 2]" 1
893 1 60 TRP H 1 61 ASP H . . 2.870 2.778 2.712 2.815 . 0 0 "[ . 1 . 2]" 1
894 1 108 GLU H 1 108 GLU HG3 . . 4.250 3.961 3.330 4.264 0.014 20 0 "[ . 1 . 2]" 1
895 1 108 GLU H 1 108 GLU HG2 . . 4.250 3.650 2.904 4.245 . 0 0 "[ . 1 . 2]" 1
896 1 106 ARG H 1 107 VAL H . . 4.530 4.357 4.307 4.422 . 0 0 "[ . 1 . 2]" 1
897 1 6 VAL H 1 7 THR H . . 4.620 4.133 3.990 4.230 . 0 0 "[ . 1 . 2]" 1
898 1 7 THR H 1 8 LEU H . . 4.860 4.545 4.475 4.612 . 0 0 "[ . 1 . 2]" 1
899 1 7 THR H 1 74 LYS H . . 4.960 4.795 4.628 4.987 0.027 14 0 "[ . 1 . 2]" 1
900 1 9 ALA H 1 10 ALA H . . 4.590 3.931 3.806 4.078 . 0 0 "[ . 1 . 2]" 1
901 1 67 MET H 1 68 SER H . . 4.680 4.520 4.465 4.546 . 0 0 "[ . 1 . 2]" 1
902 1 84 GLY H 1 92 ILE MG . . 5.120 4.125 3.578 4.287 . 0 0 "[ . 1 . 2]" 1
903 1 68 SER H 1 71 GLN QB . . 3.310 2.284 2.227 2.367 . 0 0 "[ . 1 . 2]" 1
904 1 68 SER H 1 71 GLN H . . 4.300 4.229 4.173 4.308 0.008 1 0 "[ . 1 . 2]" 1
905 1 60 TRP HA 1 63 GLY H . . 3.900 3.660 3.623 3.821 . 0 0 "[ . 1 . 2]" 1
906 1 57 ILE H 1 60 TRP HE3 . . 4.510 3.352 2.522 4.107 . 0 0 "[ . 1 . 2]" 1
907 1 63 GLY QA 1 66 GLN H . . 3.920 3.685 3.515 3.794 . 0 0 "[ . 1 . 2]" 1
908 1 64 VAL HA 1 66 GLN H . . 4.180 4.133 4.047 4.193 0.013 20 0 "[ . 1 . 2]" 1
909 1 78 SER HA 1 80 ASP H . . 4.360 4.234 4.200 4.309 . 0 0 "[ . 1 . 2]" 1
910 1 27 TYR HB2 1 28 THR H . . 3.290 3.025 2.881 3.217 . 0 0 "[ . 1 . 2]" 1
911 1 65 ALA H 1 67 MET HG3 . . 5.500 5.077 4.510 5.284 . 0 0 "[ . 1 . 2]" 1
912 1 29 GLY H 1 30 THR H . . 4.790 4.621 4.615 4.627 . 0 0 "[ . 1 . 2]" 1
913 1 30 THR H 1 101 ASP H . . 5.060 4.707 4.648 4.763 . 0 0 "[ . 1 . 2]" 1
914 1 57 ILE HG12 1 61 ASP H . . 5.500 5.233 5.150 5.333 . 0 0 "[ . 1 . 2]" 1
915 1 30 THR HA 1 35 LYS H . . 5.500 5.446 5.400 5.504 0.004 4 0 "[ . 1 . 2]" 1
916 1 25 VAL H 1 47 PHE H . . 3.960 3.592 3.466 3.686 . 0 0 "[ . 1 . 2]" 1
917 1 36 VAL MG1 1 37 PHE H . . 3.780 3.564 3.526 3.612 . 0 0 "[ . 1 . 2]" 1
918 1 30 THR MG 1 37 PHE H . . 3.860 3.162 3.014 3.379 . 0 0 "[ . 1 . 2]" 1
919 1 18 LYS H 1 19 ALA H . . 5.120 4.582 4.495 4.622 . 0 0 "[ . 1 . 2]" 1
920 1 72 ARG H 1 72 ARG HB3 . . 3.650 2.627 2.523 2.839 . 0 0 "[ . 1 . 2]" 1
921 1 72 ARG H 1 72 ARG HB2 . . 3.640 3.123 2.781 3.241 . 0 0 "[ . 1 . 2]" 1
922 1 31 LEU MD1 1 32 ALA H . . 4.560 4.315 4.261 4.351 . 0 0 "[ . 1 . 2]" 1
923 1 24 VAL MG2 1 48 ARG H . . 4.770 4.578 4.454 4.696 . 0 0 "[ . 1 . 2]" 1
924 1 75 LEU H 1 101 ASP H . . 4.660 4.216 4.114 4.317 . 0 0 "[ . 1 . 2]" 1
925 1 102 VAL H 1 103 GLU H . . 4.690 4.474 4.426 4.510 . 0 0 "[ . 1 . 2]" 1
926 1 103 GLU H 1 104 LEU H . . 4.310 4.081 3.968 4.236 . 0 0 "[ . 1 . 2]" 1
927 1 73 ALA H 1 103 GLU HA . . 3.760 3.459 3.191 3.709 . 0 0 "[ . 1 . 2]" 1
928 1 57 ILE MD 1 59 GLY H . . 3.930 2.493 2.298 2.624 . 0 0 "[ . 1 . 2]" 1
929 1 58 ARG H 1 81 TYR QB . . 4.320 4.017 3.935 4.115 . 0 0 "[ . 1 . 2]" 1
930 1 58 ARG H 1 81 TYR HA . . 4.180 3.995 3.816 4.149 . 0 0 "[ . 1 . 2]" 1
931 1 31 LEU MD2 1 32 ALA H . . 4.560 2.774 2.673 3.082 . 0 0 "[ . 1 . 2]" 1
932 1 14 ALA H 1 15 THR HG1 . . 5.500 4.216 3.457 5.500 0.000 9 0 "[ . 1 . 2]" 1
933 1 14 ALA H 1 68 SER HA . . 5.500 4.676 4.166 4.950 . 0 0 "[ . 1 . 2]" 1
934 1 24 VAL MG2 1 106 ARG H . . 4.490 4.316 4.037 4.493 0.003 1 0 "[ . 1 . 2]" 1
935 1 20 GLY H 1 50 THR MG . . 3.840 3.306 2.875 3.582 . 0 0 "[ . 1 . 2]" 1
936 1 20 GLY H 1 52 GLY HA3 . . 4.130 3.285 2.823 3.497 . 0 0 "[ . 1 . 2]" 1
937 1 20 GLY H 1 51 VAL HB . . 4.270 3.354 3.185 4.150 . 0 0 "[ . 1 . 2]" 1
938 1 20 GLY H 1 53 ARG HG2 . . 5.400 5.378 5.145 5.418 0.018 14 0 "[ . 1 . 2]" 1
939 1 60 TRP HA 1 62 GLU H . . 5.210 4.901 4.862 4.933 . 0 0 "[ . 1 . 2]" 1
940 1 58 ARG HA 1 62 GLU H . . 4.050 3.972 3.851 4.044 . 0 0 "[ . 1 . 2]" 1
941 1 59 GLY HA2 1 63 GLY H . . 4.090 3.849 3.750 3.896 . 0 0 "[ . 1 . 2]" 1
942 1 61 ASP HA 1 64 VAL H . . 4.640 4.354 4.278 4.404 . 0 0 "[ . 1 . 2]" 1
943 1 25 VAL H 1 47 PHE HA . . 4.950 4.916 4.770 4.971 0.021 15 0 "[ . 1 . 2]" 1
944 1 50 THR MG 1 53 ARG H . . 4.420 2.894 2.605 3.180 . 0 0 "[ . 1 . 2]" 1
945 1 60 TRP HE1 1 75 LEU HB2 . . 5.500 5.441 4.905 5.552 0.052 8 0 "[ . 1 . 2]" 1
946 1 26 HIS H 1 102 VAL HA . . 4.640 4.258 4.116 4.417 . 0 0 "[ . 1 . 2]" 1
947 1 50 THR H 1 56 VAL MG1 . . 4.630 4.172 3.920 4.404 . 0 0 "[ . 1 . 2]" 1
948 1 6 VAL MG1 1 74 LYS H . . 4.530 3.979 3.639 4.414 . 0 0 "[ . 1 . 2]" 1
949 1 6 VAL MG2 1 74 LYS H . . 4.850 3.991 3.774 4.359 . 0 0 "[ . 1 . 2]" 1
950 1 14 ALA H 1 69 VAL H . . 4.500 4.359 4.081 4.512 0.012 10 0 "[ . 1 . 2]" 1
951 1 13 GLU H 1 69 VAL H . . 4.970 4.513 4.295 4.792 . 0 0 "[ . 1 . 2]" 1
952 1 24 VAL H 1 105 LEU H . . 4.710 4.526 4.334 4.684 . 0 0 "[ . 1 . 2]" 1
953 1 17 PRO HD3 1 67 MET H . . 4.620 4.253 4.092 4.406 . 0 0 "[ . 1 . 2]" 1
954 1 15 THR H 1 68 SER HB3 . . 4.670 4.545 4.116 4.687 0.017 19 0 "[ . 1 . 2]" 1
955 1 71 GLN H 1 104 LEU H . . 4.480 3.418 3.259 3.606 . 0 0 "[ . 1 . 2]" 1
956 1 72 ARG HA 1 103 GLU H . . 5.080 4.710 4.550 4.891 . 0 0 "[ . 1 . 2]" 1
957 1 26 HIS HA 1 103 GLU H . . 4.720 4.461 4.361 4.643 . 0 0 "[ . 1 . 2]" 1
958 1 23 ALA MB 1 108 GLU H . . 4.050 3.741 3.332 4.066 0.016 7 0 "[ . 1 . 2]" 1
959 1 27 TYR QD 1 41 ARG H . . 5.500 5.526 5.515 5.542 0.042 11 0 "[ . 1 . 2]" 1
960 1 75 LEU H 1 100 PHE HB2 . . 4.590 4.405 4.208 4.497 . 0 0 "[ . 1 . 2]" 1
961 1 75 LEU H 1 100 PHE HB3 . . 5.240 5.087 4.914 5.250 0.010 12 0 "[ . 1 . 2]" 1
962 1 31 LEU HB3 1 34 GLY H . . 4.380 3.603 3.512 3.671 . 0 0 "[ . 1 . 2]" 1
963 1 31 LEU HB2 1 34 GLY H . . 4.160 3.239 3.105 3.305 . 0 0 "[ . 1 . 2]" 1
964 1 62 GLU H 1 65 ALA MB . . 4.620 4.149 4.082 4.415 . 0 0 "[ . 1 . 2]" 1
965 1 62 GLU H 1 81 TYR QD . . 5.500 5.473 5.300 5.517 0.017 8 0 "[ . 1 . 2]" 1
966 1 28 THR HA 1 101 ASP H . . 4.780 4.686 4.527 4.788 0.008 3 0 "[ . 1 . 2]" 1
967 1 32 ALA HA 1 34 GLY H . . 4.020 3.807 3.789 3.823 . 0 0 "[ . 1 . 2]" 1
968 1 55 GLU HA 1 56 VAL H . . 3.490 3.442 3.384 3.466 . 0 0 "[ . 1 . 2]" 1
969 1 24 VAL HB 1 106 ARG H . . 3.240 3.024 2.509 3.273 0.033 9 0 "[ . 1 . 2]" 1
970 1 65 ALA H 1 67 MET H . . 4.570 4.158 3.961 4.415 . 0 0 "[ . 1 . 2]" 1
971 1 93 PRO HA 1 95 ASN H . . 5.500 5.512 5.489 5.530 0.030 19 0 "[ . 1 . 2]" 1
972 1 95 ASN H 1 96 ALA HA . . 5.500 5.455 5.450 5.460 . 0 0 "[ . 1 . 2]" 1
973 1 25 VAL H 1 49 PHE H . . 5.070 5.009 4.847 5.101 0.031 2 0 "[ . 1 . 2]" 1
974 1 27 TYR H 1 27 TYR QE . . 4.790 4.126 4.071 4.186 . 0 0 "[ . 1 . 2]" 1
975 1 64 VAL HA 1 67 MET H . . 3.980 3.625 3.487 3.902 . 0 0 "[ . 1 . 2]" 1
976 1 21 GLN H 1 22 VAL H . . 4.690 4.559 4.514 4.584 . 0 0 "[ . 1 . 2]" 1
977 1 9 ALA H 1 72 ARG HB3 . . 3.740 2.992 2.756 3.186 . 0 0 "[ . 1 . 2]" 1
978 1 67 MET H 1 67 MET HG3 . . 4.450 3.882 3.252 4.034 . 0 0 "[ . 1 . 2]" 1
979 1 48 ARG HB2 1 49 PHE H . . 3.370 2.909 2.545 3.089 . 0 0 "[ . 1 . 2]" 1
980 1 48 ARG HB3 1 49 PHE H . . 4.040 4.021 3.912 4.082 0.042 9 0 "[ . 1 . 2]" 1
981 1 31 LEU H 1 31 LEU HB3 . . 3.770 3.576 3.554 3.613 . 0 0 "[ . 1 . 2]" 1
982 1 31 LEU H 1 31 LEU HB2 . . 3.150 2.313 2.282 2.367 . 0 0 "[ . 1 . 2]" 1
983 1 60 TRP HB3 1 64 VAL H . . 4.730 4.373 4.322 4.461 . 0 0 "[ . 1 . 2]" 1
984 1 14 ALA H 1 68 SER HB3 . . 3.990 3.617 2.934 3.963 . 0 0 "[ . 1 . 2]" 1
985 1 12 ASP H 1 71 GLN H . . 4.750 4.080 3.884 4.263 . 0 0 "[ . 1 . 2]" 1
986 1 28 THR HB 1 101 ASP HB2 . . 4.390 2.535 1.894 3.702 . 0 0 "[ . 1 . 2]" 1
987 1 28 THR HB 1 101 ASP HB3 . . 4.390 2.427 1.939 3.494 . 0 0 "[ . 1 . 2]" 1
988 1 50 THR HB 1 53 ARG HB2 . . 4.680 2.151 1.994 2.677 . 0 0 "[ . 1 . 2]" 1
989 1 50 THR HB 1 53 ARG HG2 . . 4.180 2.716 2.430 3.026 . 0 0 "[ . 1 . 2]" 1
990 1 69 VAL HA 1 104 LEU HG . . 3.950 2.210 2.067 2.311 . 0 0 "[ . 1 . 2]" 1
991 1 7 THR HA 1 8 LEU HG . . 4.730 3.864 3.482 4.036 . 0 0 "[ . 1 . 2]" 1
992 1 79 PRO HA 1 82 ALA MB . . 3.600 2.626 2.553 2.774 . 0 0 "[ . 1 . 2]" 1
993 1 16 TYR QE 1 68 SER HB3 . . 4.800 2.815 2.741 2.973 . 0 0 "[ . 1 . 2]" 1
994 1 13 GLU HA 1 68 SER HB3 . . 4.330 2.481 2.315 2.679 . 0 0 "[ . 1 . 2]" 1
995 1 64 VAL HA 1 67 MET HG2 . . 4.420 3.264 3.125 3.596 . 0 0 "[ . 1 . 2]" 1
996 1 64 VAL HA 1 67 MET HB2 . . 4.470 2.229 2.115 2.413 . 0 0 "[ . 1 . 2]" 1
997 1 64 VAL HA 1 67 MET HB3 . . 4.470 3.616 3.516 3.802 . 0 0 "[ . 1 . 2]" 1
998 1 49 PHE QE 1 51 VAL HA . . 3.830 2.407 2.293 2.551 . 0 0 "[ . 1 . 2]" 1
999 1 49 PHE QD 1 51 VAL HA . . 4.300 3.155 3.055 3.277 . 0 0 "[ . 1 . 2]" 1
1000 1 42 THR HA 1 42 THR MG . . 3.450 2.474 2.105 3.192 . 0 0 "[ . 1 . 2]" 1
1001 1 51 VAL HA 1 51 VAL MG1 . . 3.540 2.230 2.192 2.329 . 0 0 "[ . 1 . 2]" 1
1002 1 97 THR HA 1 97 THR MG . . 3.460 2.303 2.104 3.191 . 0 0 "[ . 1 . 2]" 1
1003 1 79 PRO QD 1 97 THR HA . . 4.110 2.295 1.977 2.845 . 0 0 "[ . 1 . 2]" 1
1004 1 46 PRO HA 1 47 PHE HA . . 4.460 4.379 4.356 4.441 . 0 0 "[ . 1 . 2]" 1
1005 1 24 VAL MG1 1 46 PRO HA . . 4.680 4.156 4.047 4.440 . 0 0 "[ . 1 . 2]" 1
1006 1 93 PRO HA 1 94 PRO HD2 . . 3.820 2.403 2.393 2.411 . 0 0 "[ . 1 . 2]" 1
1007 1 78 SER HB2 1 79 PRO QD . . 3.670 2.839 2.010 3.433 . 0 0 "[ . 1 . 2]" 1
1008 1 78 SER HB3 1 79 PRO QD . . 3.670 2.164 2.043 2.435 . 0 0 "[ . 1 . 2]" 1
1009 1 93 PRO HA 1 94 PRO HD3 . . 3.820 2.307 2.303 2.311 . 0 0 "[ . 1 . 2]" 1
1010 1 76 VAL HA 1 99 THR HA . . 3.430 1.956 1.912 1.992 . 0 0 "[ . 1 . 2]" 1
1011 1 57 ILE HA 1 82 ALA HA . . 4.530 4.240 4.086 4.545 0.015 17 0 "[ . 1 . 2]" 1
1012 1 15 THR HA 1 69 VAL HB . . 5.400 5.350 5.230 5.415 0.015 17 0 "[ . 1 . 2]" 1
1013 1 92 ILE MG 1 93 PRO HA . . 4.530 4.020 4.003 4.033 . 0 0 "[ . 1 . 2]" 1
1014 1 22 VAL HA 1 22 VAL MG1 . . 3.660 2.544 2.213 3.202 . 0 0 "[ . 1 . 2]" 1
1015 1 5 VAL HA 1 5 VAL MG1 . . 3.440 2.869 2.218 3.198 . 0 0 "[ . 1 . 2]" 1
1016 1 57 ILE HA 1 57 ILE MG . . 3.210 2.287 2.193 2.353 . 0 0 "[ . 1 . 2]" 1
1017 1 24 VAL HA 1 48 ARG HB2 . . 4.810 3.224 2.243 3.545 . 0 0 "[ . 1 . 2]" 1
1018 1 24 VAL HA 1 48 ARG HB3 . . 4.950 2.746 2.403 2.873 . 0 0 "[ . 1 . 2]" 1
1019 1 6 VAL HA 1 6 VAL MG1 . . 3.140 2.267 2.114 2.376 . 0 0 "[ . 1 . 2]" 1
1020 1 6 VAL HA 1 6 VAL MG2 . . 3.460 2.417 2.354 2.542 . 0 0 "[ . 1 . 2]" 1
1021 1 102 VAL HA 1 102 VAL MG1 . . 3.630 2.309 2.231 2.386 . 0 0 "[ . 1 . 2]" 1
1022 1 23 ALA HA 1 107 VAL HA . . 3.600 2.313 2.119 2.446 . 0 0 "[ . 1 . 2]" 1
1023 1 107 VAL HA 1 107 VAL MG2 . . 3.510 2.320 2.160 2.433 . 0 0 "[ . 1 . 2]" 1
1024 1 30 THR HA 1 37 PHE QD . . 4.320 3.047 2.763 3.274 . 0 0 "[ . 1 . 2]" 1
1025 1 30 THR HA 1 36 VAL HA . . 3.390 2.671 2.597 2.719 . 0 0 "[ . 1 . 2]" 1
1026 1 60 TRP HA 1 60 TRP HD1 . . 4.230 2.089 2.014 2.240 . 0 0 "[ . 1 . 2]" 1
1027 1 3 VAL HA 1 3 VAL MG2 . . 3.420 2.302 2.156 2.326 . 0 0 "[ . 1 . 2]" 1
1028 1 83 TYR HA 1 83 TYR QD . . 4.100 3.544 2.929 3.700 . 0 0 "[ . 1 . 2]" 1
1029 1 26 HIS HE1 1 41 ARG HA . . 4.460 2.404 2.038 2.847 . 0 0 "[ . 1 . 2]" 1
1030 1 49 PHE QE 1 61 ASP HA . . 4.030 3.057 2.864 3.178 . 0 0 "[ . 1 . 2]" 1
1031 1 62 GLU HA 1 66 GLN HE21 . . 4.760 4.023 3.494 4.527 . 0 0 "[ . 1 . 2]" 1
1032 1 51 VAL HA 1 61 ASP HA . . 4.380 3.492 3.253 3.578 . 0 0 "[ . 1 . 2]" 1
1033 1 51 VAL HB 1 61 ASP HA . . 5.500 5.437 3.522 5.559 0.059 8 0 "[ . 1 . 2]" 1
1034 1 51 VAL MG1 1 61 ASP HA . . 4.800 2.630 2.565 2.887 . 0 0 "[ . 1 . 2]" 1
1035 1 56 VAL MG2 1 61 ASP HA . . 4.350 3.175 3.123 3.353 . 0 0 "[ . 1 . 2]" 1
1036 1 49 PHE HZ 1 61 ASP HA . . 4.630 4.074 3.689 4.273 . 0 0 "[ . 1 . 2]" 1
1037 1 51 VAL MG2 1 61 ASP HA . . 4.800 4.351 4.176 4.922 0.122 11 0 "[ . 1 . 2]" 1
1038 1 25 VAL HA 1 104 LEU HA . . 3.810 2.762 2.658 2.893 . 0 0 "[ . 1 . 2]" 1
1039 1 78 SER HA 1 79 PRO QD . . 3.200 2.218 2.201 2.231 . 0 0 "[ . 1 . 2]" 1
1040 1 25 VAL HA 1 105 LEU HB2 . . 3.980 2.762 2.477 3.092 . 0 0 "[ . 1 . 2]" 1
1041 1 58 ARG HB3 1 81 TYR HA . . 4.290 4.209 4.001 4.314 0.024 11 0 "[ . 1 . 2]" 1
1042 1 78 SER HA 1 97 THR MG . . 3.940 2.478 1.991 4.039 0.099 19 0 "[ . 1 . 2]" 1
1043 1 24 VAL MG1 1 25 VAL HA . . 4.560 3.656 3.500 3.777 . 0 0 "[ . 1 . 2]" 1
1044 1 55 GLU HA 1 55 GLU QG . . 3.470 2.663 2.353 3.019 . 0 0 "[ . 1 . 2]" 1
1045 1 3 VAL HB 1 77 CYS HA . . 4.810 3.670 3.500 3.804 . 0 0 "[ . 1 . 2]" 1
1046 1 3 VAL MG2 1 77 CYS HA . . 4.200 3.468 2.915 3.622 . 0 0 "[ . 1 . 2]" 1
1047 1 56 VAL HA 1 56 VAL MG1 . . 3.280 2.157 2.132 2.209 . 0 0 "[ . 1 . 2]" 1
1048 1 77 CYS HA 1 81 TYR QB . . 5.030 4.958 4.751 5.036 0.006 20 0 "[ . 1 . 2]" 1
1049 1 13 GLU HA 1 13 GLU HG2 . . 4.200 3.027 2.229 3.866 . 0 0 "[ . 1 . 2]" 1
1050 1 58 ARG HB2 1 81 TYR HA . . 4.230 2.791 2.682 2.909 . 0 0 "[ . 1 . 2]" 1
1051 1 47 PHE HA 1 47 PHE QD . . 4.110 2.584 2.054 3.042 . 0 0 "[ . 1 . 2]" 1
1052 1 28 THR MG 1 39 SER HA . . 4.440 3.219 2.856 3.481 . 0 0 "[ . 1 . 2]" 1
1053 1 79 PRO HG2 1 80 ASP HA . . 4.850 4.180 4.170 4.191 . 0 0 "[ . 1 . 2]" 1
1054 1 27 TYR HA 1 27 TYR QD . . 4.520 3.727 3.718 3.737 . 0 0 "[ . 1 . 2]" 1
1055 1 27 TYR HA 1 102 VAL HA . . 3.340 2.557 2.393 2.710 . 0 0 "[ . 1 . 2]" 1
1056 1 49 PHE HA 1 49 PHE QD . . 4.390 3.726 3.719 3.729 . 0 0 "[ . 1 . 2]" 1
1057 1 70 GLY HA2 1 71 GLN HA . . 4.630 4.545 4.524 4.569 . 0 0 "[ . 1 . 2]" 1
1058 1 71 GLN HA 1 71 GLN HG2 . . 4.250 2.358 2.314 2.415 . 0 0 "[ . 1 . 2]" 1
1059 1 29 GLY HA2 1 100 PHE HA . . 4.270 3.097 3.054 3.179 . 0 0 "[ . 1 . 2]" 1
1060 1 71 GLN HA 1 71 GLN HG3 . . 4.250 2.975 2.872 3.077 . 0 0 "[ . 1 . 2]" 1
1061 1 49 PHE HA 1 56 VAL MG1 . . 4.770 4.509 4.318 4.701 . 0 0 "[ . 1 . 2]" 1
1062 1 100 PHE HA 1 100 PHE QD . . 4.330 2.922 2.076 3.100 . 0 0 "[ . 1 . 2]" 1
1063 1 29 GLY HA3 1 100 PHE HA . . 4.850 4.763 4.733 4.804 . 0 0 "[ . 1 . 2]" 1
1064 1 99 THR MG 1 100 PHE HA . . 4.840 4.041 3.896 4.246 . 0 0 "[ . 1 . 2]" 1
1065 1 69 VAL MG1 1 106 ARG HA . . 3.320 2.475 2.168 3.033 . 0 0 "[ . 1 . 2]" 1
1066 1 67 MET HA 1 67 MET HG2 . . 4.100 2.495 2.285 2.590 . 0 0 "[ . 1 . 2]" 1
1067 1 67 MET HA 1 67 MET HG3 . . 4.100 3.665 3.508 3.703 . 0 0 "[ . 1 . 2]" 1
1068 1 26 HIS HA 1 26 HIS HD2 . . 5.160 4.176 3.241 4.552 . 0 0 "[ . 1 . 2]" 1
1069 1 26 HIS HA 1 27 TYR QD . . 5.370 3.891 3.729 3.976 . 0 0 "[ . 1 . 2]" 1
1070 1 16 TYR HA 1 68 SER HA . . 3.930 2.769 2.639 2.923 . 0 0 "[ . 1 . 2]" 1
1071 1 74 LYS HA 1 74 LYS HG3 . . 4.230 3.263 2.315 3.732 . 0 0 "[ . 1 . 2]" 1
1072 1 8 LEU MD1 1 74 LYS HA . . 4.510 3.003 2.908 3.095 . 0 0 "[ . 1 . 2]" 1
1073 1 26 HIS HA 1 46 PRO HA . . 4.510 3.002 2.647 3.439 . 0 0 "[ . 1 . 2]" 1
1074 1 3 VAL MG2 1 4 GLN HA . . 4.400 3.725 3.543 3.780 . 0 0 "[ . 1 . 2]" 1
1075 1 3 VAL MG1 1 4 GLN HA . . 4.930 4.070 3.572 4.159 . 0 0 "[ . 1 . 2]" 1
1076 1 4 GLN HA 1 4 GLN HG2 . . 4.140 3.541 3.374 3.593 . 0 0 "[ . 1 . 2]" 1
1077 1 25 VAL HB 1 104 LEU HA . . 4.010 2.482 2.363 2.599 . 0 0 "[ . 1 . 2]" 1
1078 1 17 PRO HG3 1 65 ALA HA . . 4.020 3.179 2.854 3.764 . 0 0 "[ . 1 . 2]" 1
1079 1 31 LEU HA 1 32 ALA MB . . 4.370 4.122 4.096 4.142 . 0 0 "[ . 1 . 2]" 1
1080 1 53 ARG HA 1 53 ARG HG3 . . 4.000 3.646 3.617 3.688 . 0 0 "[ . 1 . 2]" 1
1081 1 72 ARG HA 1 103 GLU HA . . 3.470 2.124 1.986 2.299 . 0 0 "[ . 1 . 2]" 1
1082 1 16 TYR HA 1 17 PRO HD2 . . 3.760 2.400 2.280 2.421 . 0 0 "[ . 1 . 2]" 1
1083 1 16 TYR HA 1 17 PRO HD3 . . 3.760 2.298 2.262 2.306 . 0 0 "[ . 1 . 2]" 1
1084 1 67 MET ME 1 103 GLU HA . . 3.890 2.324 1.917 2.719 . 0 0 "[ . 1 . 2]" 1
1085 1 72 ARG HB2 1 103 GLU HA . . 4.120 3.410 3.092 3.833 . 0 0 "[ . 1 . 2]" 1
1086 1 72 ARG HA 1 72 ARG HG3 . . 3.970 2.584 2.241 3.167 . 0 0 "[ . 1 . 2]" 1
1087 1 14 ALA HA 1 16 TYR QE . . 4.090 2.563 2.189 2.827 . 0 0 "[ . 1 . 2]" 1
1088 1 24 VAL HA 1 48 ARG HA . . 3.550 2.124 2.056 2.235 . 0 0 "[ . 1 . 2]" 1
1089 1 19 ALA HA 1 51 VAL HB . . 4.090 3.452 2.666 3.841 . 0 0 "[ . 1 . 2]" 1
1090 1 74 LYS HA 1 101 ASP HA . . 3.560 1.972 1.935 1.996 . 0 0 "[ . 1 . 2]" 1
1091 1 5 VAL HA 1 75 LEU HA . . 3.790 2.838 2.691 3.013 . 0 0 "[ . 1 . 2]" 1
1092 1 74 LYS QB 1 101 ASP HA . . 4.500 3.769 3.460 4.113 . 0 0 "[ . 1 . 2]" 1
1093 1 73 ALA MB 1 101 ASP HA . . 5.500 5.104 4.982 5.196 . 0 0 "[ . 1 . 2]" 1
1094 1 3 VAL MG2 1 75 LEU HA . . 4.260 3.740 3.582 4.001 . 0 0 "[ . 1 . 2]" 1
1095 1 75 LEU HA 1 75 LEU MD2 . . 4.540 3.569 2.316 3.881 . 0 0 "[ . 1 . 2]" 1
1096 1 8 LEU MD1 1 101 ASP HA . . 4.750 3.695 3.596 3.784 . 0 0 "[ . 1 . 2]" 1
1097 1 75 LEU HA 1 75 LEU MD1 . . 4.540 2.371 1.934 3.800 . 0 0 "[ . 1 . 2]" 1
1098 1 88 HIS HA 1 89 PRO HD2 . . 3.720 2.454 2.427 2.498 . 0 0 "[ . 1 . 2]" 1
1099 1 88 HIS HA 1 89 PRO HD3 . . 3.720 2.321 2.309 2.341 . 0 0 "[ . 1 . 2]" 1
1100 1 7 THR MG 1 10 ALA HA . . 3.770 3.138 2.985 3.341 . 0 0 "[ . 1 . 2]" 1
1101 1 57 ILE HB 1 82 ALA HA . . 3.570 2.066 1.991 2.232 . 0 0 "[ . 1 . 2]" 1
1102 1 57 ILE HG12 1 82 ALA HA . . 4.830 4.045 3.859 4.258 . 0 0 "[ . 1 . 2]" 1
1103 1 92 ILE HA 1 93 PRO HD2 . . 3.660 2.120 2.114 2.124 . 0 0 "[ . 1 . 2]" 1
1104 1 92 ILE HA 1 93 PRO HD3 . . 3.660 2.256 2.255 2.257 . 0 0 "[ . 1 . 2]" 1
1105 1 93 PRO HD3 1 96 ALA MB . . 4.660 4.251 4.200 4.307 . 0 0 "[ . 1 . 2]" 1
1106 1 92 ILE MG 1 93 PRO HD2 . . 4.460 1.887 1.879 1.894 . 0 0 "[ . 1 . 2]" 1
1107 1 92 ILE HG12 1 93 PRO HD2 . . 4.370 3.544 3.509 3.572 . 0 0 "[ . 1 . 2]" 1
1108 1 93 PRO HD2 1 96 ALA MB . . 4.660 3.937 3.842 4.039 . 0 0 "[ . 1 . 2]" 1
1109 1 7 THR HA 1 73 ALA HA . . 3.570 3.128 3.002 3.259 . 0 0 "[ . 1 . 2]" 1
1110 1 8 LEU HG 1 73 ALA HA . . 3.860 2.156 1.996 2.362 . 0 0 "[ . 1 . 2]" 1
1111 1 8 LEU MD1 1 73 ALA HA . . 4.230 2.112 1.962 2.431 . 0 0 "[ . 1 . 2]" 1
1112 1 45 LYS HA 1 46 PRO HD2 . . 3.260 1.949 1.916 2.006 . 0 0 "[ . 1 . 2]" 1
1113 1 79 PRO QD 1 97 THR MG . . 4.780 3.589 3.247 4.153 . 0 0 "[ . 1 . 2]" 1
1114 1 3 VAL MG2 1 59 GLY HA3 . . 4.370 3.488 3.270 3.899 . 0 0 "[ . 1 . 2]" 1
1115 1 59 GLY HA3 1 81 TYR QD . . 4.900 4.899 4.859 4.927 0.027 8 0 "[ . 1 . 2]" 1
1116 1 59 GLY HA2 1 81 TYR QD . . 4.210 3.794 3.707 3.834 . 0 0 "[ . 1 . 2]" 1
1117 1 59 GLY HA2 1 81 TYR QB . . 4.510 3.494 3.428 3.653 . 0 0 "[ . 1 . 2]" 1
1118 1 3 VAL MG2 1 59 GLY HA2 . . 4.260 2.545 2.267 2.958 . 0 0 "[ . 1 . 2]" 1
1119 1 60 TRP HA 1 63 GLY QA . . 4.350 3.378 3.330 3.573 . 0 0 "[ . 1 . 2]" 1
1120 1 19 ALA MB 1 52 GLY HA3 . . 4.270 4.110 3.572 4.279 0.009 8 0 "[ . 1 . 2]" 1
1121 1 52 GLY HA2 1 61 ASP HB3 . . 5.060 4.834 4.632 5.049 . 0 0 "[ . 1 . 2]" 1
1122 1 29 GLY HA3 1 100 PHE QD . . 4.610 3.768 3.410 4.368 . 0 0 "[ . 1 . 2]" 1
1123 1 29 GLY HA2 1 100 PHE QD . . 4.560 2.425 1.907 3.184 . 0 0 "[ . 1 . 2]" 1
1124 1 29 GLY HA2 1 37 PHE QD . . 5.300 5.115 4.975 5.196 . 0 0 "[ . 1 . 2]" 1
1125 1 30 THR HB 1 34 GLY HA2 . . 5.100 4.782 4.621 4.981 . 0 0 "[ . 1 . 2]" 1
1126 1 20 GLY HA2 1 50 THR MG . . 3.970 2.383 2.240 2.557 . 0 0 "[ . 1 . 2]" 1
1127 1 20 GLY HA3 1 50 THR MG . . 3.970 3.555 3.456 3.750 . 0 0 "[ . 1 . 2]" 1
1128 1 30 THR MG 1 34 GLY HA2 . . 4.460 3.343 3.152 3.496 . 0 0 "[ . 1 . 2]" 1
1129 1 37 PHE QD 1 38 ASP HB3 . . 4.900 4.859 4.676 4.917 0.017 19 0 "[ . 1 . 2]" 1
1130 1 75 LEU HB3 1 100 PHE HB2 . . 4.500 2.966 2.695 3.146 . 0 0 "[ . 1 . 2]" 1
1131 1 11 GLY HA2 1 71 GLN QB . . 4.380 4.354 4.154 4.397 0.017 8 0 "[ . 1 . 2]" 1
1132 1 11 GLY HA3 1 71 GLN QB . . 4.060 2.814 2.637 2.893 . 0 0 "[ . 1 . 2]" 1
1133 1 3 VAL MG2 1 75 LEU HB3 . . 4.730 4.534 4.438 4.762 0.032 8 0 "[ . 1 . 2]" 1
1134 1 8 LEU MD1 1 72 ARG HD2 . . 4.820 3.576 2.215 4.774 . 0 0 "[ . 1 . 2]" 1
1135 1 8 LEU MD1 1 72 ARG HD3 . . 4.820 4.183 2.240 4.694 . 0 0 "[ . 1 . 2]" 1
1136 1 75 LEU HB2 1 100 PHE HB2 . . 4.660 4.347 3.877 4.659 . 0 0 "[ . 1 . 2]" 1
1137 1 27 TYR QE 1 47 PHE HB3 . . 4.230 3.319 2.439 3.917 . 0 0 "[ . 1 . 2]" 1
1138 1 53 ARG HA 1 53 ARG HD2 . . 4.020 2.894 2.010 3.827 . 0 0 "[ . 1 . 2]" 1
1139 1 27 TYR QD 1 47 PHE HB2 . . 4.710 2.387 1.988 3.562 . 0 0 "[ . 1 . 2]" 1
1140 1 27 TYR QE 1 47 PHE HB2 . . 4.230 2.031 1.988 2.241 . 0 0 "[ . 1 . 2]" 1
1141 1 41 ARG HB2 1 41 ARG QD . . 3.720 2.501 2.168 3.431 . 0 0 "[ . 1 . 2]" 1
1142 1 31 LEU HB3 1 32 ALA MB . . 4.630 3.863 3.827 3.919 . 0 0 "[ . 1 . 2]" 1
1143 1 31 LEU HB2 1 32 ALA MB . . 5.190 5.116 5.046 5.158 . 0 0 "[ . 1 . 2]" 1
1144 1 41 ARG HB3 1 41 ARG QD . . 3.720 2.883 2.050 3.496 . 0 0 "[ . 1 . 2]" 1
1145 1 29 GLY HA2 1 100 PHE HB3 . . 4.220 4.058 3.810 4.245 0.025 14 0 "[ . 1 . 2]" 1
1146 1 58 ARG HA 1 61 ASP HB3 . . 4.300 2.908 2.373 3.064 . 0 0 "[ . 1 . 2]" 1
1147 1 74 LYS QB 1 74 LYS QE . . 3.970 2.697 2.000 3.671 . 0 0 "[ . 1 . 2]" 1
1148 1 8 LEU MD2 1 74 LYS QE . . 4.170 3.180 1.850 4.148 . 0 0 "[ . 1 . 2]" 1
1149 1 49 PHE HB2 1 56 VAL MG1 . . 3.950 2.462 2.219 2.715 . 0 0 "[ . 1 . 2]" 1
1150 1 49 PHE HB3 1 56 VAL MG1 . . 4.470 2.911 2.747 3.010 . 0 0 "[ . 1 . 2]" 1
1151 1 58 ARG HA 1 61 ASP HB2 . . 4.170 2.756 2.583 3.421 . 0 0 "[ . 1 . 2]" 1
1152 1 67 MET ME 1 104 LEU HB3 . . 4.750 3.647 3.408 3.913 . 0 0 "[ . 1 . 2]" 1
1153 1 67 MET ME 1 104 LEU HB2 . . 4.750 2.288 2.095 2.780 . 0 0 "[ . 1 . 2]" 1
1154 1 88 HIS HB2 1 92 ILE HB . . 4.210 3.425 3.214 3.570 . 0 0 "[ . 1 . 2]" 1
1155 1 88 HIS HB3 1 92 ILE HB . . 5.010 4.919 4.708 5.020 0.010 3 0 "[ . 1 . 2]" 1
1156 1 36 VAL MG2 1 37 PHE HB3 . . 5.270 5.063 5.028 5.104 . 0 0 "[ . 1 . 2]" 1
1157 1 36 VAL MG2 1 37 PHE HB2 . . 4.480 4.304 4.270 4.363 . 0 0 "[ . 1 . 2]" 1
1158 1 57 ILE HB 1 82 ALA MB . . 4.740 3.293 3.083 3.693 . 0 0 "[ . 1 . 2]" 1
1159 1 58 ARG HB3 1 81 TYR QB . . 4.850 3.203 3.085 3.301 . 0 0 "[ . 1 . 2]" 1
1160 1 3 VAL MG2 1 81 TYR QB . . 5.140 4.756 4.623 4.873 . 0 0 "[ . 1 . 2]" 1
1161 1 3 VAL MG1 1 81 TYR QB . . 5.440 4.504 4.276 4.996 . 0 0 "[ . 1 . 2]" 1
1162 1 3 VAL HB 1 81 TYR QB . . 4.730 3.988 3.814 4.205 . 0 0 "[ . 1 . 2]" 1
1163 1 88 HIS HD2 1 91 VAL HB . . 5.260 4.526 4.211 5.255 . 0 0 "[ . 1 . 2]" 1
1164 1 56 VAL HB 1 60 TRP HE3 . . 4.810 2.507 1.997 2.954 . 0 0 "[ . 1 . 2]" 1
1165 1 56 VAL HB 1 61 ASP HB2 . . 5.130 4.744 4.622 4.961 . 0 0 "[ . 1 . 2]" 1
1166 1 56 VAL HB 1 60 TRP HB2 . . 4.590 2.606 2.414 2.754 . 0 0 "[ . 1 . 2]" 1
1167 1 56 VAL HB 1 60 TRP HB3 . . 4.630 3.380 3.247 3.546 . 0 0 "[ . 1 . 2]" 1
1168 1 91 VAL HB 1 92 ILE HG13 . . 4.720 3.078 2.967 3.125 . 0 0 "[ . 1 . 2]" 1
1169 1 3 VAL HB 1 59 GLY HA3 . . 4.550 4.229 3.942 4.579 0.029 8 0 "[ . 1 . 2]" 1
1170 1 3 VAL HB 1 59 GLY HA2 . . 4.390 2.963 2.707 3.324 . 0 0 "[ . 1 . 2]" 1
1171 1 3 VAL HB 1 81 TYR QD . . 4.450 3.835 3.712 4.044 . 0 0 "[ . 1 . 2]" 1
1172 1 8 LEU MD1 1 72 ARG HB2 . . 4.890 4.680 4.241 4.893 0.003 10 0 "[ . 1 . 2]" 1
1173 1 48 ARG HB2 1 49 PHE HA . . 4.840 4.339 4.250 4.647 . 0 0 "[ . 1 . 2]" 1
1174 1 71 GLN HA 1 72 ARG HB2 . . 4.700 4.481 4.227 4.599 . 0 0 "[ . 1 . 2]" 1
1175 1 6 VAL HB 1 74 LYS QB . . 3.630 2.425 1.979 3.620 . 0 0 "[ . 1 . 2]" 1
1176 1 88 HIS HB3 1 89 PRO HA . . 4.800 4.725 4.694 4.752 . 0 0 "[ . 1 . 2]" 1
1177 1 24 VAL MG1 1 46 PRO HB3 . . 3.860 3.218 3.030 3.494 . 0 0 "[ . 1 . 2]" 1
1178 1 88 HIS HB3 1 92 ILE HG13 . . 5.500 5.183 4.822 5.371 . 0 0 "[ . 1 . 2]" 1
1179 1 76 VAL HB 1 99 THR MG . . 4.510 2.202 1.947 2.497 . 0 0 "[ . 1 . 2]" 1
1180 1 64 VAL HA 1 67 MET HG3 . . 4.420 2.094 1.905 2.239 . 0 0 "[ . 1 . 2]" 1
1181 1 15 THR HB 1 69 VAL HB . . 3.770 2.508 2.278 3.092 . 0 0 "[ . 1 . 2]" 1
1182 1 69 VAL HB 1 104 LEU HG . . 5.500 4.607 4.529 4.656 . 0 0 "[ . 1 . 2]" 1
1183 1 15 THR MG 1 69 VAL HB . . 4.220 3.818 3.553 4.120 . 0 0 "[ . 1 . 2]" 1
1184 1 49 PHE QE 1 64 VAL HB . . 4.750 3.985 3.641 4.348 . 0 0 "[ . 1 . 2]" 1
1185 1 49 PHE HZ 1 64 VAL HB . . 3.910 2.929 2.394 3.497 . 0 0 "[ . 1 . 2]" 1
1186 1 93 PRO HB3 1 96 ALA MB . . 4.710 3.168 3.129 3.198 . 0 0 "[ . 1 . 2]" 1
1187 1 57 ILE HG13 1 58 ARG HB2 . . 5.500 5.491 5.431 5.525 0.025 11 0 "[ . 1 . 2]" 1
1188 1 10 ALA MB 1 71 GLN QB . . 5.360 5.019 4.882 5.166 . 0 0 "[ . 1 . 2]" 1
1189 1 53 ARG HG3 1 55 GLU HB2 . . 5.500 5.016 4.887 5.217 . 0 0 "[ . 1 . 2]" 1
1190 1 58 ARG HB2 1 81 TYR QD . . 4.620 2.638 2.537 2.801 . 0 0 "[ . 1 . 2]" 1
1191 1 49 PHE HB2 1 55 GLU HB2 . . 4.590 3.410 3.249 3.589 . 0 0 "[ . 1 . 2]" 1
1192 1 55 GLU HB2 1 56 VAL MG1 . . 4.790 3.175 3.058 3.265 . 0 0 "[ . 1 . 2]" 1
1193 1 58 ARG HB2 1 81 TYR QB . . 4.540 1.997 1.986 2.020 . 0 0 "[ . 1 . 2]" 1
1194 1 18 LYS HA 1 18 LYS QD . . 4.260 3.711 2.011 4.114 . 0 0 "[ . 1 . 2]" 1
1195 1 69 VAL MG2 1 104 LEU HG . . 4.420 2.806 2.563 2.920 . 0 0 "[ . 1 . 2]" 1
1196 1 17 PRO HG2 1 65 ALA HA . . 4.900 2.132 1.991 2.386 . 0 0 "[ . 1 . 2]" 1
1197 1 17 PRO HG3 1 64 VAL HB . . 5.330 5.064 4.359 5.314 . 0 0 "[ . 1 . 2]" 1
1198 1 31 LEU HG 1 37 PHE QD . . 4.480 3.037 2.895 3.099 . 0 0 "[ . 1 . 2]" 1
1199 1 25 VAL HA 1 105 LEU HG . . 5.110 4.362 3.154 5.127 0.017 19 0 "[ . 1 . 2]" 1
1200 1 79 PRO HG2 1 95 ASN HA . . 4.520 3.549 3.308 3.708 . 0 0 "[ . 1 . 2]" 1
1201 1 79 PRO HG3 1 95 ASN HA . . 4.100 2.822 2.216 3.247 . 0 0 "[ . 1 . 2]" 1
1202 1 17 PRO HG3 1 104 LEU MD1 . . 5.500 4.932 4.579 5.024 . 0 0 "[ . 1 . 2]" 1
1203 1 79 PRO HG3 1 95 ASN HB2 . . 5.030 3.990 3.708 4.270 . 0 0 "[ . 1 . 2]" 1
1204 1 8 LEU MD1 1 72 ARG HG2 . . 4.310 2.173 1.908 2.571 . 0 0 "[ . 1 . 2]" 1
1205 1 24 VAL MG2 1 48 ARG HG2 . . 4.440 3.532 3.092 3.757 . 0 0 "[ . 1 . 2]" 1
1206 1 24 VAL MG2 1 48 ARG HG3 . . 4.440 4.006 2.780 4.391 . 0 0 "[ . 1 . 2]" 1
1207 1 79 PRO HG3 1 95 ASN HB3 . . 5.030 3.248 2.698 3.607 . 0 0 "[ . 1 . 2]" 1
1208 1 69 VAL MG2 1 106 ARG QG . . 5.070 4.919 4.499 5.085 0.015 17 0 "[ . 1 . 2]" 1
1209 1 8 LEU MD1 1 72 ARG HG3 . . 4.310 3.186 2.387 3.903 . 0 0 "[ . 1 . 2]" 1
1210 1 24 VAL MG2 1 106 ARG QG . . 5.070 3.038 2.017 4.479 . 0 0 "[ . 1 . 2]" 1
1211 1 24 VAL HB 1 106 ARG QG . . 4.180 2.603 1.887 4.012 . 0 0 "[ . 1 . 2]" 1
1212 1 104 LEU HA 1 104 LEU MD1 . . 4.690 2.239 2.070 2.331 . 0 0 "[ . 1 . 2]" 1
1213 1 105 LEU HA 1 106 ARG QG . . 4.720 4.271 3.850 4.689 . 0 0 "[ . 1 . 2]" 1
1214 1 67 MET ME 1 104 LEU MD1 . . 5.500 4.548 4.394 4.975 . 0 0 "[ . 1 . 2]" 1
1215 1 93 PRO HG2 1 96 ALA MB . . 4.030 1.961 1.904 2.034 . 0 0 "[ . 1 . 2]" 1
1216 1 24 VAL MG1 1 46 PRO HG2 . . 4.230 2.823 2.227 3.566 . 0 0 "[ . 1 . 2]" 1
1217 1 24 VAL MG1 1 46 PRO HG3 . . 4.230 3.229 2.734 3.767 . 0 0 "[ . 1 . 2]" 1
1218 1 8 LEU HB3 1 8 LEU MD1 . . 3.360 2.650 2.571 2.717 . 0 0 "[ . 1 . 2]" 1
1219 1 8 LEU HA 1 8 LEU MD1 . . 4.090 3.925 3.901 3.977 . 0 0 "[ . 1 . 2]" 1
1220 1 63 GLY QA 1 75 LEU MD1 . . 3.920 1.845 1.815 1.939 . 0 0 "[ . 1 . 2]" 1
1221 1 8 LEU HB2 1 8 LEU MD1 . . 3.360 2.062 2.006 2.171 . 0 0 "[ . 1 . 2]" 1
1222 1 57 ILE HG13 1 60 TRP HB2 . . 4.500 2.345 2.202 2.477 . 0 0 "[ . 1 . 2]" 1
1223 1 57 ILE HG13 1 60 TRP HB3 . . 4.570 4.067 3.926 4.181 . 0 0 "[ . 1 . 2]" 1
1224 1 15 THR HG1 1 69 VAL MG2 . . 4.220 3.907 2.801 4.225 0.005 11 0 "[ . 1 . 2]" 1
1225 1 68 SER HA 1 69 VAL MG2 . . 4.610 3.634 3.585 3.775 . 0 0 "[ . 1 . 2]" 1
1226 1 98 LEU HA 1 98 LEU MD2 . . 4.370 2.364 1.980 3.300 . 0 0 "[ . 1 . 2]" 1
1227 1 104 LEU HA 1 104 LEU MD2 . . 4.690 2.390 2.332 2.529 . 0 0 "[ . 1 . 2]" 1
1228 1 49 PHE QE 1 64 VAL MG1 . . 4.310 2.604 2.222 3.770 . 0 0 "[ . 1 . 2]" 1
1229 1 28 THR HA 1 28 THR MG . . 3.510 2.344 2.197 2.426 . 0 0 "[ . 1 . 2]" 1
1230 1 30 THR HA 1 30 THR MG . . 3.320 2.066 1.959 2.120 . 0 0 "[ . 1 . 2]" 1
1231 1 30 THR MG 1 36 VAL HA . . 3.360 2.104 1.970 2.403 . 0 0 "[ . 1 . 2]" 1
1232 1 8 LEU HA 1 8 LEU MD2 . . 3.200 2.451 2.228 2.676 . 0 0 "[ . 1 . 2]" 1
1233 1 3 VAL MG2 1 75 LEU HG . . 3.470 2.706 2.353 3.484 0.014 1 0 "[ . 1 . 2]" 1
1234 1 50 THR MG 1 53 ARG HG3 . . 3.750 2.570 2.128 2.925 . 0 0 "[ . 1 . 2]" 1
1235 1 17 PRO HG3 1 64 VAL MG2 . . 4.390 2.465 2.010 4.320 . 0 0 "[ . 1 . 2]" 1
1236 1 49 PHE QE 1 56 VAL MG1 . . 3.520 2.986 2.798 3.186 . 0 0 "[ . 1 . 2]" 1
1237 1 49 PHE QD 1 56 VAL MG1 . . 4.070 2.516 2.443 2.557 . 0 0 "[ . 1 . 2]" 1
1238 1 56 VAL MG1 1 60 TRP HE3 . . 3.910 2.139 1.954 2.364 . 0 0 "[ . 1 . 2]" 1
1239 1 15 THR HA 1 15 THR MG . . 3.050 2.262 2.005 2.351 . 0 0 "[ . 1 . 2]" 1
1240 1 50 THR MG 1 53 ARG HG2 . . 3.280 2.092 1.913 2.520 . 0 0 "[ . 1 . 2]" 1
1241 1 99 THR HA 1 99 THR MG . . 3.390 2.283 2.162 2.401 . 0 0 "[ . 1 . 2]" 1
1242 1 107 VAL HA 1 107 VAL MG1 . . 3.510 2.987 2.326 3.203 . 0 0 "[ . 1 . 2]" 1
1243 1 76 VAL HA 1 99 THR MG . . 3.960 2.840 2.522 3.121 . 0 0 "[ . 1 . 2]" 1
1244 1 36 VAL HA 1 36 VAL MG2 . . 3.310 2.149 2.137 2.159 . 0 0 "[ . 1 . 2]" 1
1245 1 74 LYS QB 1 99 THR MG . . 3.230 2.129 1.937 2.347 . 0 0 "[ . 1 . 2]" 1
1246 1 91 VAL HA 1 91 VAL MG1 . . 3.330 2.332 2.237 2.389 . 0 0 "[ . 1 . 2]" 1
1247 1 24 VAL MG1 1 105 LEU HB2 . . 4.710 3.028 2.774 3.272 . 0 0 "[ . 1 . 2]" 1
1248 1 24 VAL MG1 1 46 PRO HB2 . . 3.860 2.047 1.906 2.330 . 0 0 "[ . 1 . 2]" 1
1249 1 102 VAL HA 1 102 VAL MG2 . . 3.630 2.586 2.332 3.176 . 0 0 "[ . 1 . 2]" 1
1250 1 5 VAL HA 1 5 VAL MG2 . . 3.440 2.350 2.310 2.389 . 0 0 "[ . 1 . 2]" 1
1251 1 51 VAL HA 1 51 VAL MG2 . . 3.540 2.444 2.389 3.194 . 0 0 "[ . 1 . 2]" 1
1252 1 24 VAL MG1 1 106 ARG QD . . 4.650 3.471 2.420 4.196 . 0 0 "[ . 1 . 2]" 1
1253 1 91 VAL HA 1 91 VAL MG2 . . 3.330 2.391 2.353 2.462 . 0 0 "[ . 1 . 2]" 1
1254 1 93 PRO HB2 1 96 ALA MB . . 4.710 1.897 1.887 1.908 . 0 0 "[ . 1 . 2]" 1
1255 1 24 VAL MG2 1 106 ARG QD . . 3.780 3.105 2.129 3.678 . 0 0 "[ . 1 . 2]" 1
1256 1 93 PRO HG3 1 96 ALA MB . . 4.030 2.432 2.417 2.461 . 0 0 "[ . 1 . 2]" 1
1257 1 24 VAL HA 1 24 VAL MG2 . . 3.410 2.417 2.389 2.456 . 0 0 "[ . 1 . 2]" 1
1258 1 24 VAL MG2 1 105 LEU HB2 . . 5.500 4.934 4.763 5.140 . 0 0 "[ . 1 . 2]" 1
1259 1 24 VAL MG2 1 48 ARG HB3 . . 3.070 2.056 1.996 2.243 . 0 0 "[ . 1 . 2]" 1
1260 1 76 VAL MG2 1 99 THR HA . . 4.500 3.559 3.501 3.612 . 0 0 "[ . 1 . 2]" 1
1261 1 76 VAL HA 1 76 VAL MG2 . . 3.490 2.372 2.356 2.415 . 0 0 "[ . 1 . 2]" 1
1262 1 6 VAL MG1 1 74 LYS QE . . 5.050 4.086 1.923 5.053 0.003 19 0 "[ . 1 . 2]" 1
1263 1 6 VAL MG2 1 74 LYS QE . . 5.390 4.050 1.823 5.375 . 0 0 "[ . 1 . 2]" 1
1264 1 6 VAL MG2 1 74 LYS QB . . 4.340 2.984 2.329 4.209 . 0 0 "[ . 1 . 2]" 1
1265 1 49 PHE QE 1 56 VAL MG2 . . 4.120 2.483 2.245 2.727 . 0 0 "[ . 1 . 2]" 1
1266 1 82 ALA MB 1 83 TYR QD . . 3.840 3.633 3.225 3.755 . 0 0 "[ . 1 . 2]" 1
1267 1 49 PHE QD 1 56 VAL MG2 . . 4.120 2.372 2.149 2.544 . 0 0 "[ . 1 . 2]" 1
1268 1 56 VAL MG2 1 60 TRP HE3 . . 4.300 3.815 3.637 4.017 . 0 0 "[ . 1 . 2]" 1
1269 1 56 VAL MG2 1 60 TRP HB2 . . 3.830 3.319 3.162 3.493 . 0 0 "[ . 1 . 2]" 1
1270 1 56 VAL MG2 1 60 TRP HB3 . . 3.720 3.553 3.185 3.681 . 0 0 "[ . 1 . 2]" 1
1271 1 62 GLU HA 1 65 ALA MB . . 3.270 2.104 1.971 2.412 . 0 0 "[ . 1 . 2]" 1
1272 1 83 TYR QD 1 92 ILE MG . . 4.180 3.189 2.887 4.230 0.050 5 0 "[ . 1 . 2]" 1
1273 1 18 LYS HA 1 19 ALA MB . . 4.270 4.023 3.958 4.075 . 0 0 "[ . 1 . 2]" 1
1274 1 92 ILE MG 1 93 PRO HD3 . . 4.460 3.272 3.257 3.284 . 0 0 "[ . 1 . 2]" 1
1275 1 67 MET ME 1 73 ALA MB . . 3.560 3.320 2.580 3.575 0.015 3 0 "[ . 1 . 2]" 1
1276 1 57 ILE MG 1 82 ALA HA . . 3.650 2.263 2.072 2.432 . 0 0 "[ . 1 . 2]" 1
1277 1 82 ALA MB 1 92 ILE MG . . 5.020 4.897 4.393 5.059 0.039 3 0 "[ . 1 . 2]" 1
1278 1 57 ILE MG 1 82 ALA MB . . 4.090 3.064 2.857 3.373 . 0 0 "[ . 1 . 2]" 1
1279 1 57 ILE MD 1 57 ILE MG . . 3.270 2.422 2.274 2.564 . 0 0 "[ . 1 . 2]" 1
1280 1 57 ILE MD 1 60 TRP HD1 . . 3.850 3.327 3.001 3.667 . 0 0 "[ . 1 . 2]" 1
1281 1 57 ILE MD 1 82 ALA HA . . 3.540 2.350 1.999 2.591 . 0 0 "[ . 1 . 2]" 1
1282 1 57 ILE HB 1 57 ILE MD . . 3.480 2.182 2.111 2.266 . 0 0 "[ . 1 . 2]" 1
1283 1 57 ILE MD 1 58 ARG HB2 . . 4.620 4.495 4.360 4.615 . 0 0 "[ . 1 . 2]" 1
1284 1 57 ILE MD 1 82 ALA MB . . 3.350 1.832 1.765 1.975 . 0 0 "[ . 1 . 2]" 1
1285 1 92 ILE HA 1 92 ILE MD . . 4.040 3.818 3.808 3.834 . 0 0 "[ . 1 . 2]" 1
1286 1 92 ILE MD 1 92 ILE MG . . 3.290 1.955 1.915 2.085 . 0 0 "[ . 1 . 2]" 1
1287 1 88 HIS HB2 1 91 VAL HB . . 4.440 2.151 2.008 2.342 . 0 0 "[ . 1 . 2]" 1
1288 1 24 VAL HA 1 24 VAL MG1 . . 3.330 2.253 2.157 2.387 . 0 0 "[ . 1 . 2]" 1
1289 1 41 ARG HA 1 41 ARG QD . . 4.580 4.157 2.945 4.517 . 0 0 "[ . 1 . 2]" 1
1290 1 53 ARG HA 1 53 ARG HD3 . . 4.020 2.536 2.001 3.603 . 0 0 "[ . 1 . 2]" 1
1291 1 69 VAL MG2 1 106 ARG HA . . 3.480 2.781 2.448 3.321 . 0 0 "[ . 1 . 2]" 1
1292 1 50 THR HA 1 50 THR MG . . 3.060 2.328 2.233 2.398 . 0 0 "[ . 1 . 2]" 1
1293 1 69 VAL HA 1 69 VAL MG1 . . 3.270 2.364 2.333 2.401 . 0 0 "[ . 1 . 2]" 1
1294 1 67 MET ME 1 72 ARG HA . . 3.920 2.453 2.255 2.891 . 0 0 "[ . 1 . 2]" 1
1295 1 72 ARG HA 1 72 ARG HG2 . . 3.970 3.279 2.628 3.567 . 0 0 "[ . 1 . 2]" 1
1296 1 72 ARG HB2 1 72 ARG HD3 . . 3.960 2.616 2.131 3.977 0.017 8 0 "[ . 1 . 2]" 1
1297 1 72 ARG HB2 1 72 ARG HD2 . . 3.960 3.406 2.302 3.670 . 0 0 "[ . 1 . 2]" 1
1298 1 74 LYS HA 1 74 LYS HG2 . . 4.230 2.904 2.141 3.768 . 0 0 "[ . 1 . 2]" 1
1299 1 81 TYR HA 1 81 TYR QD . . 4.320 2.390 2.230 2.478 . 0 0 "[ . 1 . 2]" 1
1300 1 85 SER HA 1 95 ASN HA . . 3.750 2.405 2.038 3.308 . 0 0 "[ . 1 . 2]" 1
1301 1 98 LEU HA 1 98 LEU MD1 . . 4.370 3.872 3.413 3.985 . 0 0 "[ . 1 . 2]" 1
1302 1 104 LEU HA 1 104 LEU HG . . 3.930 3.694 3.690 3.698 . 0 0 "[ . 1 . 2]" 1
1303 1 4 GLN HA 1 4 GLN HG3 . . 4.140 2.387 2.052 2.713 . 0 0 "[ . 1 . 2]" 1
1304 1 7 THR HA 1 7 THR MG . . 3.320 2.202 2.107 2.362 . 0 0 "[ . 1 . 2]" 1
1305 1 21 GLN HA 1 21 GLN HG3 . . 3.650 2.822 2.294 3.149 . 0 0 "[ . 1 . 2]" 1
1306 1 21 GLN HA 1 21 GLN HG2 . . 3.650 2.310 2.098 2.813 . 0 0 "[ . 1 . 2]" 1
1307 1 36 VAL MG1 1 37 PHE HA . . 4.550 3.595 3.553 3.638 . 0 0 "[ . 1 . 2]" 1
1308 1 36 VAL MG2 1 37 PHE HA . . 4.660 3.943 3.896 4.010 . 0 0 "[ . 1 . 2]" 1
1309 1 76 VAL HA 1 76 VAL MG1 . . 3.490 3.180 3.180 3.181 . 0 0 "[ . 1 . 2]" 1
1310 1 45 LYS HA 1 46 PRO HD3 . . 3.050 2.530 2.344 2.798 . 0 0 "[ . 1 . 2]" 1
1311 1 64 VAL HA 1 64 VAL MG1 . . 3.470 3.152 2.421 3.192 . 0 0 "[ . 1 . 2]" 1
1312 1 64 VAL HA 1 64 VAL MG2 . . 3.470 2.208 2.123 2.307 . 0 0 "[ . 1 . 2]" 1
1313 1 79 PRO HG3 1 96 ALA HA . . 5.050 3.046 2.604 3.635 . 0 0 "[ . 1 . 2]" 1
1314 1 22 VAL HA 1 22 VAL MG2 . . 3.660 2.379 2.289 2.476 . 0 0 "[ . 1 . 2]" 1
1315 1 53 ARG HA 1 54 GLY QA . . 4.530 3.932 3.917 3.948 . 0 0 "[ . 1 . 2]" 1
1316 1 15 THR HB 1 69 VAL MG2 . . 3.320 2.011 1.929 2.163 . 0 0 "[ . 1 . 2]" 1
1317 1 8 LEU MD2 1 74 LYS HD2 . . 5.240 2.914 2.014 4.804 . 0 0 "[ . 1 . 2]" 1
1318 1 8 LEU MD2 1 74 LYS HD3 . . 5.240 3.572 2.262 5.085 . 0 0 "[ . 1 . 2]" 1
1319 1 79 PRO QB 1 95 ASN HA . . 3.820 2.191 2.017 2.272 . 0 0 "[ . 1 . 2]" 1
1320 1 36 VAL MG1 1 37 PHE HB2 . . 5.260 5.260 5.233 5.286 0.026 3 0 "[ . 1 . 2]" 1
1321 1 28 THR HA 1 100 PHE HB3 . . 5.500 5.224 5.046 5.416 . 0 0 "[ . 1 . 2]" 1
1322 1 27 TYR QD 1 47 PHE HB3 . . 4.710 2.566 2.282 2.795 . 0 0 "[ . 1 . 2]" 1
1323 1 49 PHE QE 1 64 VAL MG2 . . 4.310 3.746 3.011 4.152 . 0 0 "[ . 1 . 2]" 1
1324 1 83 TYR QE 1 92 ILE MD . . 4.500 2.466 1.973 4.314 . 0 0 "[ . 1 . 2]" 1
1325 1 83 TYR QD 1 92 ILE MD . . 4.250 2.074 1.941 2.612 . 0 0 "[ . 1 . 2]" 1
1326 1 57 ILE MG 1 83 TYR QE . . 4.120 3.290 2.318 3.706 . 0 0 "[ . 1 . 2]" 1
1327 1 57 ILE MG 1 83 TYR QD . . 4.630 2.662 2.346 2.976 . 0 0 "[ . 1 . 2]" 1
1328 1 31 LEU MD2 1 37 PHE QD . . 4.330 4.301 4.054 4.341 0.011 14 0 "[ . 1 . 2]" 1
1329 1 31 LEU MD1 1 37 PHE QD . . 4.330 3.768 3.668 3.868 . 0 0 "[ . 1 . 2]" 1
1330 1 17 PRO HG3 1 64 VAL MG1 . . 4.390 3.278 1.906 3.576 . 0 0 "[ . 1 . 2]" 1
1331 1 17 PRO HG2 1 64 VAL MG1 . . 4.850 3.740 2.333 4.029 . 0 0 "[ . 1 . 2]" 1
1332 1 17 PRO HG2 1 64 VAL MG2 . . 4.850 3.750 3.366 5.009 0.159 3 0 "[ . 1 . 2]" 1
1333 1 59 GLY HA3 1 81 TYR QB . . 4.330 3.736 3.657 3.897 . 0 0 "[ . 1 . 2]" 1
1334 1 92 ILE HG12 1 93 PRO HD3 . . 4.370 4.430 4.424 4.438 0.068 8 0 "[ . 1 . 2]" 1
1335 1 24 VAL MG2 1 48 ARG HA . . 4.070 3.158 2.960 3.702 . 0 0 "[ . 1 . 2]" 1
1336 1 24 VAL MG1 1 48 ARG HA . . 4.030 3.300 3.098 3.562 . 0 0 "[ . 1 . 2]" 1
1337 1 76 VAL MG1 1 99 THR HA . . 4.500 4.479 4.421 4.539 0.039 10 0 "[ . 1 . 2]" 1
1338 1 13 GLU HA 1 13 GLU HG3 . . 4.200 3.077 2.153 3.654 . 0 0 "[ . 1 . 2]" 1
1339 1 63 GLY QA 1 75 LEU MD2 . . 3.920 2.112 1.918 2.754 . 0 0 "[ . 1 . 2]" 1
1340 1 24 VAL MG2 1 48 ARG HB2 . . 4.250 2.147 1.953 2.381 . 0 0 "[ . 1 . 2]" 1
1341 1 98 LEU HB2 1 100 PHE QD . . 5.100 3.402 2.902 4.799 . 0 0 "[ . 1 . 2]" 1
1342 1 98 LEU HB3 1 100 PHE QD . . 5.100 3.505 2.918 4.174 . 0 0 "[ . 1 . 2]" 1
1343 1 17 PRO HG3 1 104 LEU MD2 . . 5.500 2.893 2.550 3.014 . 0 0 "[ . 1 . 2]" 1
1344 1 37 PHE QD 1 38 ASP HB2 . . 4.900 4.223 4.010 4.553 . 0 0 "[ . 1 . 2]" 1
1345 1 27 TYR HB3 1 102 VAL HA . . 4.670 4.200 4.035 4.384 . 0 0 "[ . 1 . 2]" 1
1346 1 27 TYR HB2 1 102 VAL HA . . 4.960 4.537 4.262 4.726 . 0 0 "[ . 1 . 2]" 1
1347 1 11 GLY HA2 1 70 GLY HA3 . . 4.880 3.838 3.488 4.016 . 0 0 "[ . 1 . 2]" 1
1348 1 70 GLY HA3 1 71 GLN HA . . 5.500 4.480 4.467 4.491 . 0 0 "[ . 1 . 2]" 1
1349 1 69 VAL MG2 1 107 VAL HB . . 4.010 2.767 2.035 3.141 . 0 0 "[ . 1 . 2]" 1
1350 1 2 GLY HA3 1 81 TYR QD . . 4.620 4.277 4.107 4.349 . 0 0 "[ . 1 . 2]" 1
1351 1 2 GLY HA2 1 81 TYR QD . . 5.500 5.479 5.299 5.544 0.044 8 0 "[ . 1 . 2]" 1
1352 1 67 MET ME 1 104 LEU MD2 . . 5.500 2.974 2.603 3.630 . 0 0 "[ . 1 . 2]" 1
1353 1 50 THR HA 1 53 ARG HB2 . . 5.040 4.713 4.529 5.054 0.014 11 0 "[ . 1 . 2]" 1
1354 1 21 GLN HB3 1 22 VAL HA . . 4.810 4.481 4.409 4.605 . 0 0 "[ . 1 . 2]" 1
1355 1 1 MET HA 1 4 GLN QE . . 4.220 3.052 2.567 3.744 . 0 0 "[ . 1 . 2]" 1
1356 1 3 VAL MG1 1 62 GLU QB . . 4.070 2.342 2.027 3.021 . 0 0 "[ . 1 . 2]" 1
1357 1 3 VAL MG2 1 62 GLU QB . . 4.920 3.143 2.648 4.141 . 0 0 "[ . 1 . 2]" 1
1358 1 4 GLN H 1 4 GLN QB . . 3.100 2.409 2.334 2.630 . 0 0 "[ . 1 . 2]" 1
1359 1 4 GLN H 1 4 GLN QG . . 4.660 4.118 3.984 4.339 . 0 0 "[ . 1 . 2]" 1
1360 1 4 GLN QB 1 5 VAL H . . 3.800 3.094 2.902 3.328 . 0 0 "[ . 1 . 2]" 1
1361 1 4 GLN QB 1 76 VAL H . . 4.200 3.602 3.427 3.702 . 0 0 "[ . 1 . 2]" 1
1362 1 4 GLN QG 1 5 VAL H . . 3.960 3.040 2.536 3.330 . 0 0 "[ . 1 . 2]" 1
1363 1 5 VAL H 1 5 VAL QG . . 3.140 2.200 1.912 2.737 . 0 0 "[ . 1 . 2]" 1
1364 1 5 VAL HA 1 5 VAL QG . . 3.000 2.208 2.038 2.308 . 0 0 "[ . 1 . 2]" 1
1365 1 5 VAL QG 1 6 VAL H . . 3.290 2.760 2.494 3.077 . 0 0 "[ . 1 . 2]" 1
1366 1 5 VAL QG 1 7 THR H . . 4.760 3.432 3.099 3.685 . 0 0 "[ . 1 . 2]" 1
1367 1 5 VAL QG 1 66 GLN H . . 5.440 4.700 4.185 5.243 . 0 0 "[ . 1 . 2]" 1
1368 1 5 VAL QG 1 67 MET QG . . 4.830 3.073 2.697 3.487 . 0 0 "[ . 1 . 2]" 1
1369 1 5 VAL QG 1 71 GLN HE21 . . 4.520 4.211 3.818 4.522 0.002 10 0 "[ . 1 . 2]" 1
1370 1 5 VAL QG 1 71 GLN HE22 . . 4.130 3.253 2.900 3.634 . 0 0 "[ . 1 . 2]" 1
1371 1 5 VAL QG 1 73 ALA MB . . 3.010 2.072 1.842 2.248 . 0 0 "[ . 1 . 2]" 1
1372 1 6 VAL MG1 1 74 LYS QG . . 5.340 3.669 2.711 4.814 . 0 0 "[ . 1 . 2]" 1
1373 1 6 VAL MG1 1 74 LYS QD . . 5.340 3.257 2.302 4.853 . 0 0 "[ . 1 . 2]" 1
1374 1 6 VAL MG2 1 74 LYS QG . . 5.340 3.610 1.936 4.624 . 0 0 "[ . 1 . 2]" 1
1375 1 6 VAL MG2 1 74 LYS QD . . 4.860 3.208 2.014 4.144 . 0 0 "[ . 1 . 2]" 1
1376 1 7 THR MG 1 71 GLN QG . . 4.490 3.057 2.875 3.258 . 0 0 "[ . 1 . 2]" 1
1377 1 8 LEU H 1 71 GLN QG . . 4.810 4.456 4.219 4.603 . 0 0 "[ . 1 . 2]" 1
1378 1 8 LEU QB 1 8 LEU MD1 . . 2.830 1.993 1.950 2.069 . 0 0 "[ . 1 . 2]" 1
1379 1 8 LEU QB 1 9 ALA H . . 3.480 2.407 2.313 2.573 . 0 0 "[ . 1 . 2]" 1
1380 1 8 LEU MD1 1 72 ARG QG . . 3.760 2.134 1.836 2.538 . 0 0 "[ . 1 . 2]" 1
1381 1 8 LEU MD1 1 72 ARG QD . . 4.180 3.290 2.062 3.766 . 0 0 "[ . 1 . 2]" 1
1382 1 8 LEU MD2 1 72 ARG QD . . 5.340 5.068 3.739 5.349 0.009 20 0 "[ . 1 . 2]" 1
1383 1 9 ALA H 1 71 GLN QG . . 4.210 3.928 3.757 4.014 . 0 0 "[ . 1 . 2]" 1
1384 1 10 ALA H 1 71 GLN QG . . 4.780 4.393 4.305 4.454 . 0 0 "[ . 1 . 2]" 1
1385 1 10 ALA HA 1 71 GLN QG . . 3.950 2.334 2.157 2.441 . 0 0 "[ . 1 . 2]" 1
1386 1 11 GLY H 1 71 GLN QG . . 3.900 2.131 1.934 2.438 . 0 0 "[ . 1 . 2]" 1
1387 1 12 ASP H 1 12 ASP QB . . 3.050 2.285 2.218 2.479 . 0 0 "[ . 1 . 2]" 1
1388 1 12 ASP QB 1 13 GLU H . . 4.110 2.837 2.551 3.669 . 0 0 "[ . 1 . 2]" 1
1389 1 12 ASP QB 1 69 VAL MG1 . . 4.640 3.386 3.151 3.659 . 0 0 "[ . 1 . 2]" 1
1390 1 13 GLU H 1 13 GLU QG . . 4.220 3.117 2.649 3.928 . 0 0 "[ . 1 . 2]" 1
1391 1 13 GLU HA 1 13 GLU QG . . 3.620 2.615 2.131 3.339 . 0 0 "[ . 1 . 2]" 1
1392 1 16 TYR H 1 16 TYR QB . . 3.180 2.528 2.472 2.599 . 0 0 "[ . 1 . 2]" 1
1393 1 16 TYR H 1 17 PRO QD . . 4.960 4.365 4.355 4.370 . 0 0 "[ . 1 . 2]" 1
1394 1 16 TYR HA 1 17 PRO QD . . 3.270 2.089 2.023 2.102 . 0 0 "[ . 1 . 2]" 1
1395 1 16 TYR HA 1 104 LEU QD . . 4.530 4.179 4.030 4.291 . 0 0 "[ . 1 . 2]" 1
1396 1 16 TYR QB 1 17 PRO QD . . 4.000 1.970 1.953 2.196 . 0 0 "[ . 1 . 2]" 1
1397 1 16 TYR QB 1 104 LEU QD . . 5.280 5.116 5.000 5.203 . 0 0 "[ . 1 . 2]" 1
1398 1 17 PRO QB 1 21 GLN HB2 . . 5.340 4.676 4.229 5.029 . 0 0 "[ . 1 . 2]" 1
1399 1 17 PRO QB 1 51 VAL QG . . 3.400 2.102 1.854 2.349 . 0 0 "[ . 1 . 2]" 1
1400 1 17 PRO QB 1 104 LEU QD . . 4.710 3.391 3.217 3.483 . 0 0 "[ . 1 . 2]" 1
1401 1 17 PRO HG2 1 51 VAL QG . . 3.640 2.945 2.712 3.508 . 0 0 "[ . 1 . 2]" 1
1402 1 17 PRO HG2 1 64 VAL QG . . 3.910 3.284 2.329 3.564 . 0 0 "[ . 1 . 2]" 1
1403 1 17 PRO HG2 1 104 LEU QD . . 4.320 4.277 3.910 4.350 0.030 11 0 "[ . 1 . 2]" 1
1404 1 17 PRO HG3 1 51 VAL QG . . 5.360 2.940 2.697 3.513 . 0 0 "[ . 1 . 2]" 1
1405 1 17 PRO HG3 1 64 VAL QG . . 3.380 2.297 1.904 2.531 . 0 0 "[ . 1 . 2]" 1
1406 1 17 PRO HG3 1 104 LEU QD . . 4.120 2.873 2.537 2.988 . 0 0 "[ . 1 . 2]" 1
1407 1 17 PRO QD 1 67 MET H . . 3.780 3.348 2.951 3.570 . 0 0 "[ . 1 . 2]" 1
1408 1 17 PRO QD 1 68 SER H . . 5.350 4.903 4.735 5.118 . 0 0 "[ . 1 . 2]" 1
1409 1 17 PRO QD 1 68 SER HA . . 4.660 3.385 3.152 3.587 . 0 0 "[ . 1 . 2]" 1
1410 1 17 PRO QD 1 104 LEU QD . . 3.700 2.672 2.470 2.760 . 0 0 "[ . 1 . 2]" 1
1411 1 18 LYS H 1 18 LYS QB . . 2.860 2.256 2.156 2.460 . 0 0 "[ . 1 . 2]" 1
1412 1 18 LYS H 1 107 VAL QG . . 3.760 2.976 2.688 3.320 . 0 0 "[ . 1 . 2]" 1
1413 1 18 LYS HA 1 18 LYS QG . . 3.630 2.305 2.133 2.690 . 0 0 "[ . 1 . 2]" 1
1414 1 18 LYS QB 1 19 ALA H . . 3.560 3.452 3.046 3.571 0.011 12 0 "[ . 1 . 2]" 1
1415 1 18 LYS QB 1 21 GLN HB2 . . 4.560 2.213 1.975 2.812 . 0 0 "[ . 1 . 2]" 1
1416 1 18 LYS QB 1 21 GLN HE21 . . 4.650 2.351 1.878 3.349 . 0 0 "[ . 1 . 2]" 1
1417 1 18 LYS QB 1 21 GLN HE22 . . 4.630 2.867 2.188 3.242 . 0 0 "[ . 1 . 2]" 1
1418 1 18 LYS QG 1 19 ALA H . . 3.260 2.468 2.172 3.257 . 0 0 "[ . 1 . 2]" 1
1419 1 19 ALA H 1 51 VAL QG . . 5.010 4.908 3.845 5.024 0.014 1 0 "[ . 1 . 2]" 1
1420 1 19 ALA HA 1 51 VAL QG . . 3.650 3.348 1.974 3.543 . 0 0 "[ . 1 . 2]" 1
1421 1 20 GLY H 1 51 VAL QG . . 4.820 3.721 2.237 3.914 . 0 0 "[ . 1 . 2]" 1
1422 1 21 GLN HA 1 21 GLN QG . . 3.200 2.148 2.060 2.270 . 0 0 "[ . 1 . 2]" 1
1423 1 21 GLN HB2 1 107 VAL QG . . 4.630 4.233 3.712 4.648 0.018 12 0 "[ . 1 . 2]" 1
1424 1 21 GLN HB3 1 107 VAL QG . . 4.180 3.443 2.978 3.832 . 0 0 "[ . 1 . 2]" 1
1425 1 21 GLN HE21 1 21 GLN QG . . 3.080 2.642 2.562 2.665 . 0 0 "[ . 1 . 2]" 1
1426 1 21 GLN HE22 1 21 GLN QG . . 3.550 3.435 3.409 3.442 . 0 0 "[ . 1 . 2]" 1
1427 1 21 GLN QG 1 22 VAL H . . 3.830 3.004 2.557 3.596 . 0 0 "[ . 1 . 2]" 1
1428 1 21 GLN HE21 1 107 VAL QG . . 4.150 3.053 2.558 3.656 . 0 0 "[ . 1 . 2]" 1
1429 1 21 GLN HE22 1 107 VAL QG . . 4.120 3.048 2.516 3.949 . 0 0 "[ . 1 . 2]" 1
1430 1 22 VAL H 1 22 VAL QG . . 2.980 2.142 1.890 2.433 . 0 0 "[ . 1 . 2]" 1
1431 1 22 VAL HA 1 22 VAL QG . . 3.150 2.133 2.034 2.319 . 0 0 "[ . 1 . 2]" 1
1432 1 22 VAL QG 1 23 ALA H . . 3.150 2.362 2.063 2.877 . 0 0 "[ . 1 . 2]" 1
1433 1 22 VAL QG 1 48 ARG HB2 . . 3.390 2.655 2.423 2.863 . 0 0 "[ . 1 . 2]" 1
1434 1 22 VAL QG 1 48 ARG HB3 . . 4.420 3.952 3.776 4.168 . 0 0 "[ . 1 . 2]" 1
1435 1 22 VAL QG 1 48 ARG QD . . 4.350 2.632 2.014 3.689 . 0 0 "[ . 1 . 2]" 1
1436 1 22 VAL QG 1 49 PHE H . . 3.210 2.799 2.593 2.961 . 0 0 "[ . 1 . 2]" 1
1437 1 22 VAL QG 1 50 THR H . . 4.610 3.691 3.420 4.003 . 0 0 "[ . 1 . 2]" 1
1438 1 23 ALA H 1 48 ARG QD . . 5.340 5.318 4.644 5.490 0.150 19 0 "[ . 1 . 2]" 1
1439 1 23 ALA H 1 51 VAL QG . . 3.840 3.274 2.628 3.770 . 0 0 "[ . 1 . 2]" 1
1440 1 23 ALA HA 1 104 LEU QD . . 4.710 4.031 3.939 4.215 . 0 0 "[ . 1 . 2]" 1
1441 1 24 VAL H 1 104 LEU QD . . 3.950 3.260 3.128 3.437 . 0 0 "[ . 1 . 2]" 1
1442 1 24 VAL H 1 106 ARG QB . . 5.340 4.323 3.508 4.859 . 0 0 "[ . 1 . 2]" 1
1443 1 24 VAL HB 1 46 PRO QB . . 5.340 4.337 4.078 4.659 . 0 0 "[ . 1 . 2]" 1
1444 1 24 VAL MG1 1 46 PRO QB . . 3.120 2.024 1.892 2.297 . 0 0 "[ . 1 . 2]" 1
1445 1 24 VAL MG1 1 46 PRO QG . . 3.640 2.651 2.134 3.258 . 0 0 "[ . 1 . 2]" 1
1446 1 24 VAL MG2 1 46 PRO QG . . 4.900 4.419 3.987 4.891 . 0 0 "[ . 1 . 2]" 1
1447 1 24 VAL MG2 1 48 ARG QG . . 3.750 3.245 2.701 3.532 . 0 0 "[ . 1 . 2]" 1
1448 1 24 VAL MG2 1 48 ARG QD . . 4.590 3.221 2.823 4.123 . 0 0 "[ . 1 . 2]" 1
1449 1 24 VAL MG2 1 106 ARG QB . . 5.320 3.527 2.464 4.206 . 0 0 "[ . 1 . 2]" 1
1450 1 25 VAL H 1 25 VAL QG . . 3.090 2.316 2.302 2.334 . 0 0 "[ . 1 . 2]" 1
1451 1 25 VAL H 1 46 PRO QB . . 4.380 3.712 3.273 4.186 . 0 0 "[ . 1 . 2]" 1
1452 1 25 VAL H 1 47 PHE QB . . 4.310 3.961 3.694 4.350 0.040 12 0 "[ . 1 . 2]" 1
1453 1 25 VAL HA 1 25 VAL QG . . 3.120 2.395 2.375 2.422 . 0 0 "[ . 1 . 2]" 1
1454 1 25 VAL HA 1 105 LEU QD . . 4.750 2.745 1.978 3.628 . 0 0 "[ . 1 . 2]" 1
1455 1 25 VAL HB 1 102 VAL QG . . 3.900 2.825 2.290 3.981 0.081 16 0 "[ . 1 . 2]" 1
1456 1 25 VAL HB 1 104 LEU QD . . 4.310 3.232 3.158 3.328 . 0 0 "[ . 1 . 2]" 1
1457 1 25 VAL QG 1 26 HIS H . . 4.020 2.766 2.546 2.918 . 0 0 "[ . 1 . 2]" 1
1458 1 25 VAL QG 1 26 HIS HA . . 4.550 3.567 3.439 3.649 . 0 0 "[ . 1 . 2]" 1
1459 1 25 VAL QG 1 27 TYR H . . 4.660 3.865 3.746 3.965 . 0 0 "[ . 1 . 2]" 1
1460 1 25 VAL QG 1 27 TYR QD . . 4.570 3.865 3.635 4.018 . 0 0 "[ . 1 . 2]" 1
1461 1 25 VAL QG 1 47 PHE QB . . 3.870 3.334 3.027 3.854 . 0 0 "[ . 1 . 2]" 1
1462 1 25 VAL QG 1 47 PHE QD . . 4.490 4.214 3.784 4.488 . 0 0 "[ . 1 . 2]" 1
1463 1 25 VAL QG 1 48 ARG H . . 5.440 5.398 5.170 5.488 0.048 11 0 "[ . 1 . 2]" 1
1464 1 25 VAL QG 1 48 ARG HA . . 4.280 3.993 3.457 4.200 . 0 0 "[ . 1 . 2]" 1
1465 1 25 VAL QG 1 49 PHE QD . . 4.380 4.120 3.654 4.388 0.008 9 0 "[ . 1 . 2]" 1
1466 1 25 VAL QG 1 49 PHE QE . . 3.770 2.964 2.454 3.284 . 0 0 "[ . 1 . 2]" 1
1467 1 25 VAL QG 1 49 PHE HZ . . 4.800 3.834 3.472 4.070 . 0 0 "[ . 1 . 2]" 1
1468 1 25 VAL QG 1 67 MET ME . . 5.090 3.417 3.064 4.168 . 0 0 "[ . 1 . 2]" 1
1469 1 25 VAL QG 1 103 GLU H . . 4.420 3.032 2.854 3.264 . 0 0 "[ . 1 . 2]" 1
1470 1 25 VAL QG 1 104 LEU H . . 4.480 3.837 3.753 3.938 . 0 0 "[ . 1 . 2]" 1
1471 1 25 VAL QG 1 104 LEU QB . . 4.660 3.276 3.181 3.354 . 0 0 "[ . 1 . 2]" 1
1472 1 26 HIS H 1 46 PRO QB . . 5.130 4.628 4.073 5.171 0.041 7 0 "[ . 1 . 2]" 1
1473 1 26 HIS H 1 102 VAL QG . . 4.510 3.737 3.254 4.570 0.060 14 0 "[ . 1 . 2]" 1
1474 1 26 HIS H 1 103 GLU QB . . 5.140 3.065 2.804 4.192 . 0 0 "[ . 1 . 2]" 1
1475 1 26 HIS H 1 103 GLU QG . . 5.340 3.659 2.412 4.095 . 0 0 "[ . 1 . 2]" 1
1476 1 26 HIS H 1 105 LEU QD . . 4.160 2.907 2.352 4.050 . 0 0 "[ . 1 . 2]" 1
1477 1 26 HIS HA 1 105 LEU QD . . 4.790 3.943 3.427 4.567 . 0 0 "[ . 1 . 2]" 1
1478 1 26 HIS QB 1 41 ARG QG . . 4.120 3.067 1.877 4.120 0.000 17 0 "[ . 1 . 2]" 1
1479 1 26 HIS QB 1 46 PRO QB . . 5.180 4.136 3.721 4.654 . 0 0 "[ . 1 . 2]" 1
1480 1 26 HIS QB 1 103 GLU H . . 4.240 3.388 3.302 3.525 . 0 0 "[ . 1 . 2]" 1
1481 1 26 HIS QB 1 103 GLU QB . . 4.180 2.395 1.997 3.852 . 0 0 "[ . 1 . 2]" 1
1482 1 26 HIS QB 1 103 GLU QG . . 4.760 3.199 1.950 3.731 . 0 0 "[ . 1 . 2]" 1
1483 1 26 HIS HD2 1 105 LEU QD . . 3.920 1.922 1.728 2.192 . 0 0 "[ . 1 . 2]" 1
1484 1 27 TYR H 1 40 SER QB . . 4.110 2.727 2.476 3.509 . 0 0 "[ . 1 . 2]" 1
1485 1 27 TYR HA 1 102 VAL QG . . 3.960 2.976 2.565 3.102 . 0 0 "[ . 1 . 2]" 1
1486 1 27 TYR HB2 1 102 VAL QG . . 4.350 3.479 3.014 3.745 . 0 0 "[ . 1 . 2]" 1
1487 1 27 TYR HB3 1 102 VAL QG . . 3.340 3.205 2.559 3.373 0.033 2 0 "[ . 1 . 2]" 1
1488 1 27 TYR QD 1 47 PHE QB . . 3.870 2.130 1.922 2.640 . 0 0 "[ . 1 . 2]" 1
1489 1 27 TYR QE 1 38 ASP QB . . 4.530 4.523 4.400 4.559 0.029 7 0 "[ . 1 . 2]" 1
1490 1 27 TYR QE 1 40 SER QB . . 4.620 2.787 2.535 2.956 . 0 0 "[ . 1 . 2]" 1
1491 1 27 TYR QE 1 47 PHE QB . . 3.700 2.005 1.956 2.228 . 0 0 "[ . 1 . 2]" 1
1492 1 28 THR H 1 101 ASP QB . . 3.760 3.299 2.959 3.552 . 0 0 "[ . 1 . 2]" 1
1493 1 28 THR H 1 102 VAL QG . . 4.340 3.909 3.584 4.098 . 0 0 "[ . 1 . 2]" 1
1494 1 28 THR HA 1 39 SER QB . . 4.220 2.281 1.964 3.227 . 0 0 "[ . 1 . 2]" 1
1495 1 28 THR HB 1 101 ASP QB . . 3.650 1.918 1.882 1.952 . 0 0 "[ . 1 . 2]" 1
1496 1 28 THR MG 1 39 SER QB . . 4.200 1.893 1.819 2.118 . 0 0 "[ . 1 . 2]" 1
1497 1 28 THR MG 1 101 ASP QB . . 4.410 2.991 2.647 3.390 . 0 0 "[ . 1 . 2]" 1
1498 1 29 GLY H 1 39 SER QB . . 3.850 3.110 2.770 3.743 . 0 0 "[ . 1 . 2]" 1
1499 1 29 GLY H 1 101 ASP QB . . 5.340 5.369 5.238 5.461 0.121 9 0 "[ . 1 . 2]" 1
1500 1 31 LEU H 1 31 LEU QD . . 3.820 3.505 3.418 3.519 . 0 0 "[ . 1 . 2]" 1
1501 1 31 LEU H 1 35 LYS QG . . 5.340 5.129 4.703 5.354 0.014 12 0 "[ . 1 . 2]" 1
1502 1 31 LEU HA 1 31 LEU QD . . 3.280 2.077 1.980 2.110 . 0 0 "[ . 1 . 2]" 1
1503 1 31 LEU HB2 1 31 LEU QD . . 2.990 2.239 2.204 2.300 . 0 0 "[ . 1 . 2]" 1
1504 1 31 LEU QD 1 32 ALA H . . 3.800 2.742 2.649 3.021 . 0 0 "[ . 1 . 2]" 1
1505 1 31 LEU QD 1 32 ALA MB . . 5.250 3.816 3.754 4.000 . 0 0 "[ . 1 . 2]" 1
1506 1 31 LEU QD 1 33 ASP H . . 4.000 3.635 3.603 3.723 . 0 0 "[ . 1 . 2]" 1
1507 1 31 LEU QD 1 35 LYS H . . 4.070 3.856 3.727 3.997 . 0 0 "[ . 1 . 2]" 1
1508 1 31 LEU QD 1 35 LYS QB . . 3.930 2.131 1.913 2.402 . 0 0 "[ . 1 . 2]" 1
1509 1 31 LEU QD 1 37 PHE QE . . 3.810 2.004 1.942 2.058 . 0 0 "[ . 1 . 2]" 1
1510 1 33 ASP H 1 33 ASP QB . . 3.200 2.397 2.224 2.654 . 0 0 "[ . 1 . 2]" 1
1511 1 33 ASP QB 1 35 LYS H . . 4.110 2.811 2.656 3.754 . 0 0 "[ . 1 . 2]" 1
1512 1 35 LYS H 1 35 LYS QB . . 2.700 2.096 2.042 2.192 . 0 0 "[ . 1 . 2]" 1
1513 1 35 LYS H 1 35 LYS QG . . 4.120 3.594 3.016 4.047 . 0 0 "[ . 1 . 2]" 1
1514 1 35 LYS QB 1 36 VAL H . . 4.250 3.670 3.353 3.848 . 0 0 "[ . 1 . 2]" 1
1515 1 35 LYS QG 1 36 VAL H . . 4.250 3.582 2.951 4.167 . 0 0 "[ . 1 . 2]" 1
1516 1 36 VAL MG2 1 39 SER QB . . 4.350 3.973 3.775 4.432 0.082 15 0 "[ . 1 . 2]" 1
1517 1 37 PHE HB3 1 91 VAL QG . . 5.090 4.771 4.459 5.103 0.013 19 0 "[ . 1 . 2]" 1
1518 1 37 PHE QD 1 38 ASP QB . . 4.250 3.974 3.839 4.109 . 0 0 "[ . 1 . 2]" 1
1519 1 38 ASP H 1 91 VAL QG . . 5.080 4.756 4.458 5.092 0.012 11 0 "[ . 1 . 2]" 1
1520 1 39 SER QB 1 40 SER H . . 3.510 2.853 2.578 3.533 0.023 11 0 "[ . 1 . 2]" 1
1521 1 39 SER QB 1 41 ARG H . . 4.710 2.891 2.191 3.336 . 0 0 "[ . 1 . 2]" 1
1522 1 40 SER H 1 40 SER QB . . 3.660 2.173 2.070 2.785 . 0 0 "[ . 1 . 2]" 1
1523 1 40 SER H 1 41 ARG QB . . 4.770 4.636 4.519 4.746 . 0 0 "[ . 1 . 2]" 1
1524 1 40 SER H 1 41 ARG QG . . 4.740 3.643 3.452 3.791 . 0 0 "[ . 1 . 2]" 1
1525 1 40 SER QB 1 41 ARG H . . 3.990 3.164 2.761 3.548 . 0 0 "[ . 1 . 2]" 1
1526 1 40 SER QB 1 47 PHE H . . 4.870 4.089 3.662 4.565 . 0 0 "[ . 1 . 2]" 1
1527 1 41 ARG H 1 41 ARG QB . . 3.210 2.582 2.427 2.712 . 0 0 "[ . 1 . 2]" 1
1528 1 41 ARG HA 1 41 ARG QG . . 3.680 2.989 2.475 3.408 . 0 0 "[ . 1 . 2]" 1
1529 1 43 ARG HA 1 43 ARG QG . . 3.670 2.510 2.253 3.333 . 0 0 "[ . 1 . 2]" 1
1530 1 43 ARG QB 1 43 ARG QD . . 3.250 2.252 1.953 2.732 . 0 0 "[ . 1 . 2]" 1
1531 1 43 ARG QB 1 45 LYS H . . 3.580 3.210 2.764 3.610 0.030 3 0 "[ . 1 . 2]" 1
1532 1 43 ARG QG 1 44 GLY H . . 4.660 4.327 3.256 4.574 . 0 0 "[ . 1 . 2]" 1
1533 1 44 GLY H 1 45 LYS QB . . 5.340 4.635 4.226 4.863 . 0 0 "[ . 1 . 2]" 1
1534 1 45 LYS H 1 45 LYS QB . . 3.050 2.608 2.321 2.981 . 0 0 "[ . 1 . 2]" 1
1535 1 45 LYS HA 1 46 PRO QG . . 4.620 3.795 3.767 3.862 . 0 0 "[ . 1 . 2]" 1
1536 1 45 LYS QB 1 46 PRO HD2 . . 4.390 3.756 3.428 4.148 . 0 0 "[ . 1 . 2]" 1
1537 1 46 PRO HA 1 105 LEU QD . . 4.550 4.155 3.568 4.557 0.007 6 0 "[ . 1 . 2]" 1
1538 1 46 PRO QB 1 47 PHE HA . . 5.340 4.354 4.110 4.446 . 0 0 "[ . 1 . 2]" 1
1539 1 46 PRO QB 1 105 LEU QD . . 3.000 2.575 2.134 3.051 0.051 12 0 "[ . 1 . 2]" 1
1540 1 46 PRO QG 1 47 PHE H . . 4.500 4.440 4.252 4.512 0.012 7 0 "[ . 1 . 2]" 1
1541 1 46 PRO QG 1 105 LEU QD . . 4.360 3.315 2.478 3.900 . 0 0 "[ . 1 . 2]" 1
1542 1 47 PHE H 1 47 PHE QB . . 3.080 2.375 2.280 2.584 . 0 0 "[ . 1 . 2]" 1
1543 1 47 PHE HA 1 48 ARG QG . . 5.340 4.074 3.729 5.238 . 0 0 "[ . 1 . 2]" 1
1544 1 47 PHE QB 1 48 ARG H . . 3.900 3.688 3.425 3.815 . 0 0 "[ . 1 . 2]" 1
1545 1 48 ARG H 1 48 ARG QD . . 5.250 3.845 1.884 4.275 . 0 0 "[ . 1 . 2]" 1
1546 1 48 ARG HB2 1 48 ARG QD . . 3.490 2.271 1.972 3.505 0.015 12 0 "[ . 1 . 2]" 1
1547 1 49 PHE QE 1 51 VAL QG . . 4.480 2.708 2.438 2.969 . 0 0 "[ . 1 . 2]" 1
1548 1 49 PHE QE 1 64 VAL QG . . 3.640 2.524 2.199 2.910 . 0 0 "[ . 1 . 2]" 1
1549 1 49 PHE HZ 1 64 VAL QG . . 4.030 2.094 1.935 2.332 . 0 0 "[ . 1 . 2]" 1
1550 1 50 THR MG 1 53 ARG QD . . 4.240 3.641 3.245 4.175 . 0 0 "[ . 1 . 2]" 1
1551 1 51 VAL H 1 51 VAL QG . . 2.890 2.016 1.811 2.068 . 0 0 "[ . 1 . 2]" 1
1552 1 51 VAL HA 1 51 VAL QG . . 3.080 2.062 2.031 2.240 . 0 0 "[ . 1 . 2]" 1
1553 1 51 VAL QG 1 52 GLY H . . 3.640 3.119 3.014 3.664 0.024 11 0 "[ . 1 . 2]" 1
1554 1 51 VAL QG 1 52 GLY HA3 . . 3.980 3.894 3.798 3.990 0.010 11 0 "[ . 1 . 2]" 1
1555 1 51 VAL QG 1 53 ARG H . . 4.990 4.496 4.462 4.547 . 0 0 "[ . 1 . 2]" 1
1556 1 51 VAL QG 1 65 ALA H . . 4.450 3.037 2.880 3.650 . 0 0 "[ . 1 . 2]" 1
1557 1 51 VAL QG 1 65 ALA MB . . 3.590 2.290 2.081 3.096 . 0 0 "[ . 1 . 2]" 1
1558 1 51 VAL QG 1 66 GLN H . . 5.440 4.769 4.588 5.442 0.002 11 0 "[ . 1 . 2]" 1
1559 1 53 ARG H 1 53 ARG QD . . 4.570 4.187 3.930 4.563 . 0 0 "[ . 1 . 2]" 1
1560 1 53 ARG HA 1 53 ARG QD . . 3.460 2.138 1.989 2.824 . 0 0 "[ . 1 . 2]" 1
1561 1 58 ARG H 1 58 ARG QD . . 4.490 3.596 2.791 4.114 . 0 0 "[ . 1 . 2]" 1
1562 1 58 ARG HA 1 58 ARG QG . . 3.590 2.744 2.377 3.087 . 0 0 "[ . 1 . 2]" 1
1563 1 58 ARG HB2 1 58 ARG QD . . 3.700 3.199 2.683 3.509 . 0 0 "[ . 1 . 2]" 1
1564 1 58 ARG HB2 1 77 CYS QB . . 5.340 5.285 5.126 5.403 0.063 8 0 "[ . 1 . 2]" 1
1565 1 58 ARG QG 1 59 GLY H . . 4.720 3.931 3.775 3.993 . 0 0 "[ . 1 . 2]" 1
1566 1 58 ARG QG 1 82 ALA H . . 5.340 5.220 4.764 5.348 0.008 11 0 "[ . 1 . 2]" 1
1567 1 58 ARG QD 1 81 TYR HA . . 5.190 4.473 2.859 4.966 . 0 0 "[ . 1 . 2]" 1
1568 1 59 GLY H 1 77 CYS QB . . 4.830 4.433 4.118 4.569 . 0 0 "[ . 1 . 2]" 1
1569 1 59 GLY HA2 1 62 GLU QB . . 5.340 3.639 3.430 4.742 . 0 0 "[ . 1 . 2]" 1
1570 1 60 TRP HA 1 64 VAL QG . . 4.180 3.979 3.090 4.046 . 0 0 "[ . 1 . 2]" 1
1571 1 60 TRP HA 1 75 LEU QD . . 4.040 2.160 1.908 2.303 . 0 0 "[ . 1 . 2]" 1
1572 1 60 TRP HB3 1 64 VAL QG . . 4.640 3.445 2.695 3.525 . 0 0 "[ . 1 . 2]" 1
1573 1 60 TRP HE1 1 102 VAL QG . . 3.810 3.303 3.039 3.516 . 0 0 "[ . 1 . 2]" 1
1574 1 61 ASP H 1 62 GLU QB . . 5.260 4.948 4.793 5.364 0.104 16 0 "[ . 1 . 2]" 1
1575 1 61 ASP H 1 64 VAL QG . . 4.490 4.210 4.143 4.454 . 0 0 "[ . 1 . 2]" 1
1576 1 61 ASP HA 1 64 VAL QG . . 5.240 2.761 2.611 3.745 . 0 0 "[ . 1 . 2]" 1
1577 1 62 GLU H 1 62 GLU QB . . 3.020 2.353 2.200 2.592 . 0 0 "[ . 1 . 2]" 1
1578 1 62 GLU H 1 62 GLU QG . . 3.310 2.455 1.944 2.747 . 0 0 "[ . 1 . 2]" 1
1579 1 62 GLU HA 1 62 GLU QG . . 3.600 2.531 2.182 3.338 . 0 0 "[ . 1 . 2]" 1
1580 1 62 GLU QB 1 63 GLY H . . 3.250 2.533 2.338 3.282 0.032 16 0 "[ . 1 . 2]" 1
1581 1 62 GLU QB 1 64 VAL H . . 5.340 5.069 4.920 5.368 0.028 16 0 "[ . 1 . 2]" 1
1582 1 62 GLU QB 1 65 ALA H . . 5.340 4.814 4.720 4.962 . 0 0 "[ . 1 . 2]" 1
1583 1 62 GLU QB 1 66 GLN HE21 . . 4.290 2.860 2.422 3.079 . 0 0 "[ . 1 . 2]" 1
1584 1 62 GLU QB 1 66 GLN HE22 . . 4.530 3.164 2.831 4.139 . 0 0 "[ . 1 . 2]" 1
1585 1 62 GLU QG 1 63 GLY H . . 4.270 4.017 1.882 4.271 0.001 18 0 "[ . 1 . 2]" 1
1586 1 63 GLY H 1 75 LEU QD . . 3.450 2.715 2.515 2.907 . 0 0 "[ . 1 . 2]" 1
1587 1 63 GLY QA 1 75 LEU QD . . 3.290 1.721 1.662 1.896 . 0 0 "[ . 1 . 2]" 1
1588 1 64 VAL H 1 64 VAL QG . . 2.850 2.277 2.236 2.361 . 0 0 "[ . 1 . 2]" 1
1589 1 64 VAL H 1 67 MET QG . . 4.500 3.948 3.646 4.091 . 0 0 "[ . 1 . 2]" 1
1590 1 64 VAL H 1 75 LEU QD . . 3.950 3.186 2.873 3.381 . 0 0 "[ . 1 . 2]" 1
1591 1 64 VAL H 1 102 VAL QG . . 4.910 3.778 3.611 4.158 . 0 0 "[ . 1 . 2]" 1
1592 1 64 VAL HA 1 67 MET QB . . 3.750 2.210 2.099 2.388 . 0 0 "[ . 1 . 2]" 1
1593 1 64 VAL HA 1 67 MET QG . . 3.790 2.069 1.898 2.197 . 0 0 "[ . 1 . 2]" 1
1594 1 64 VAL HA 1 102 VAL QG . . 4.260 3.271 2.995 3.681 . 0 0 "[ . 1 . 2]" 1
1595 1 64 VAL QG 1 65 ALA H . . 3.830 1.982 1.906 3.066 . 0 0 "[ . 1 . 2]" 1
1596 1 64 VAL QG 1 65 ALA HA . . 4.420 3.043 3.010 3.214 . 0 0 "[ . 1 . 2]" 1
1597 1 64 VAL QG 1 66 GLN H . . 5.440 4.072 4.028 4.381 . 0 0 "[ . 1 . 2]" 1
1598 1 64 VAL QG 1 67 MET H . . 4.250 3.898 3.802 4.092 . 0 0 "[ . 1 . 2]" 1
1599 1 64 VAL QG 1 67 MET QG . . 4.580 3.372 3.195 3.496 . 0 0 "[ . 1 . 2]" 1
1600 1 65 ALA H 1 66 GLN QB . . 5.340 4.966 4.794 5.097 . 0 0 "[ . 1 . 2]" 1
1601 1 65 ALA H 1 66 GLN QG . . 4.660 4.286 4.007 4.632 . 0 0 "[ . 1 . 2]" 1
1602 1 65 ALA H 1 67 MET QB . . 5.340 4.666 4.590 4.834 . 0 0 "[ . 1 . 2]" 1
1603 1 65 ALA H 1 67 MET QG . . 4.700 4.608 4.348 4.709 0.009 3 0 "[ . 1 . 2]" 1
1604 1 66 GLN H 1 66 GLN QB . . 3.080 2.595 2.425 2.768 . 0 0 "[ . 1 . 2]" 1
1605 1 66 GLN H 1 66 GLN QG . . 3.270 2.271 1.928 2.615 . 0 0 "[ . 1 . 2]" 1
1606 1 66 GLN H 1 67 MET QG . . 4.270 3.758 3.657 3.833 . 0 0 "[ . 1 . 2]" 1
1607 1 66 GLN H 1 75 LEU QD . . 5.440 5.107 4.916 5.467 0.027 1 0 "[ . 1 . 2]" 1
1608 1 66 GLN QB 1 66 GLN HE21 . . 3.970 2.815 2.202 3.486 . 0 0 "[ . 1 . 2]" 1
1609 1 66 GLN HE22 1 66 GLN QG . . 3.520 3.301 3.228 3.378 . 0 0 "[ . 1 . 2]" 1
1610 1 66 GLN QG 1 67 MET H . . 4.620 4.075 3.562 4.470 . 0 0 "[ . 1 . 2]" 1
1611 1 67 MET H 1 67 MET QB . . 3.110 2.396 2.358 2.513 . 0 0 "[ . 1 . 2]" 1
1612 1 67 MET H 1 67 MET QG . . 3.700 3.090 2.932 3.150 . 0 0 "[ . 1 . 2]" 1
1613 1 67 MET H 1 104 LEU QD . . 4.310 4.191 3.993 4.318 0.008 19 0 "[ . 1 . 2]" 1
1614 1 67 MET QB 1 68 SER H . . 3.200 2.580 2.480 2.750 . 0 0 "[ . 1 . 2]" 1
1615 1 67 MET QB 1 71 GLN HE22 . . 4.700 4.659 4.555 4.707 0.007 8 0 "[ . 1 . 2]" 1
1616 1 67 MET QG 1 68 SER H . . 5.040 4.107 3.984 4.203 . 0 0 "[ . 1 . 2]" 1
1617 1 67 MET QG 1 71 GLN HE22 . . 5.210 4.127 3.721 4.351 . 0 0 "[ . 1 . 2]" 1
1618 1 67 MET QG 1 73 ALA MB . . 4.340 3.997 3.841 4.185 . 0 0 "[ . 1 . 2]" 1
1619 1 67 MET QG 1 102 VAL QG . . 5.040 2.769 2.429 3.126 . 0 0 "[ . 1 . 2]" 1
1620 1 67 MET ME 1 102 VAL QG . . 3.230 2.198 1.873 3.321 0.091 18 0 "[ . 1 . 2]" 1
1621 1 67 MET ME 1 104 LEU QB . . 4.110 2.264 2.081 2.725 . 0 0 "[ . 1 . 2]" 1
1622 1 67 MET ME 1 104 LEU QD . . 4.280 2.934 2.586 3.541 . 0 0 "[ . 1 . 2]" 1
1623 1 68 SER H 1 71 GLN QG . . 4.410 3.935 3.836 4.049 . 0 0 "[ . 1 . 2]" 1
1624 1 68 SER H 1 104 LEU QD . . 4.170 4.122 3.945 4.183 0.013 12 0 "[ . 1 . 2]" 1
1625 1 68 SER HA 1 104 LEU QD . . 3.920 3.883 3.728 3.950 0.030 6 0 "[ . 1 . 2]" 1
1626 1 69 VAL H 1 104 LEU QD . . 3.700 3.662 3.558 3.738 0.038 4 0 "[ . 1 . 2]" 1
1627 1 69 VAL HA 1 104 LEU QB . . 4.300 2.015 1.954 2.285 . 0 0 "[ . 1 . 2]" 1
1628 1 69 VAL HA 1 104 LEU QD . . 3.630 2.006 1.947 2.091 . 0 0 "[ . 1 . 2]" 1
1629 1 69 VAL HB 1 104 LEU QD . . 4.780 4.093 4.020 4.179 . 0 0 "[ . 1 . 2]" 1
1630 1 70 GLY H 1 104 LEU QB . . 3.770 2.124 2.005 2.207 . 0 0 "[ . 1 . 2]" 1
1631 1 70 GLY H 1 104 LEU QD . . 4.120 2.817 2.676 2.899 . 0 0 "[ . 1 . 2]" 1
1632 1 71 GLN H 1 104 LEU QD . . 4.120 4.042 3.924 4.082 . 0 0 "[ . 1 . 2]" 1
1633 1 71 GLN HA 1 71 GLN QG . . 3.640 2.272 2.249 2.296 . 0 0 "[ . 1 . 2]" 1
1634 1 71 GLN QG 1 72 ARG H . . 3.230 2.292 1.987 2.422 . 0 0 "[ . 1 . 2]" 1
1635 1 71 GLN QG 1 73 ALA H . . 5.340 5.289 5.225 5.338 . 0 0 "[ . 1 . 2]" 1
1636 1 71 GLN QG 1 73 ALA MB . . 4.260 3.954 3.886 4.075 . 0 0 "[ . 1 . 2]" 1
1637 1 72 ARG HA 1 72 ARG QG . . 3.410 2.449 2.198 2.518 . 0 0 "[ . 1 . 2]" 1
1638 1 72 ARG HA 1 72 ARG QD . . 4.720 3.868 3.620 4.187 . 0 0 "[ . 1 . 2]" 1
1639 1 72 ARG HA 1 103 GLU QB . . 4.610 3.043 2.476 3.488 . 0 0 "[ . 1 . 2]" 1
1640 1 72 ARG HA 1 103 GLU QG . . 5.170 3.615 2.897 4.586 . 0 0 "[ . 1 . 2]" 1
1641 1 72 ARG HB3 1 72 ARG QD . . 3.720 2.881 2.064 3.202 . 0 0 "[ . 1 . 2]" 1
1642 1 72 ARG QG 1 73 ALA H . . 3.310 2.491 2.320 2.671 . 0 0 "[ . 1 . 2]" 1
1643 1 72 ARG QG 1 102 VAL H . . 5.030 4.380 4.131 4.541 . 0 0 "[ . 1 . 2]" 1
1644 1 72 ARG QG 1 103 GLU HA . . 4.370 3.339 2.656 3.589 . 0 0 "[ . 1 . 2]" 1
1645 1 72 ARG QG 1 104 LEU H . . 5.340 5.200 4.584 5.360 0.020 12 0 "[ . 1 . 2]" 1
1646 1 72 ARG QD 1 73 ALA H . . 4.720 4.383 4.046 4.721 0.001 16 0 "[ . 1 . 2]" 1
1647 1 72 ARG QD 1 103 GLU QB . . 4.170 2.542 1.944 4.001 . 0 0 "[ . 1 . 2]" 1
1648 1 73 ALA H 1 102 VAL QG . . 4.810 4.025 2.888 4.452 . 0 0 "[ . 1 . 2]" 1
1649 1 73 ALA H 1 103 GLU QB . . 5.340 4.042 3.566 4.395 . 0 0 "[ . 1 . 2]" 1
1650 1 74 LYS H 1 74 LYS QG . . 3.270 2.544 1.981 3.297 0.027 17 0 "[ . 1 . 2]" 1
1651 1 74 LYS HA 1 102 VAL QG . . 4.680 4.267 3.670 4.531 . 0 0 "[ . 1 . 2]" 1
1652 1 74 LYS QG 1 75 LEU H . . 4.490 4.003 3.522 4.466 . 0 0 "[ . 1 . 2]" 1
1653 1 74 LYS QG 1 99 THR MG . . 4.310 3.065 2.249 3.977 . 0 0 "[ . 1 . 2]" 1
1654 1 74 LYS QG 1 101 ASP HA . . 5.340 3.801 2.833 4.971 . 0 0 "[ . 1 . 2]" 1
1655 1 75 LEU H 1 75 LEU QD . . 4.430 3.796 3.731 3.863 . 0 0 "[ . 1 . 2]" 1
1656 1 75 LEU H 1 102 VAL QG . . 3.810 3.400 3.178 3.711 . 0 0 "[ . 1 . 2]" 1
1657 1 75 LEU HA 1 75 LEU QD . . 3.380 2.101 1.929 2.656 . 0 0 "[ . 1 . 2]" 1
1658 1 75 LEU HB2 1 75 LEU QD . . 3.140 2.128 2.055 2.299 . 0 0 "[ . 1 . 2]" 1
1659 1 75 LEU HB3 1 76 VAL QG . . 5.440 5.256 5.147 5.307 . 0 0 "[ . 1 . 2]" 1
1660 1 75 LEU HB3 1 102 VAL QG . . 4.610 2.849 2.528 3.164 . 0 0 "[ . 1 . 2]" 1
1661 1 75 LEU QD 1 76 VAL H . . 3.850 3.254 2.883 3.512 . 0 0 "[ . 1 . 2]" 1
1662 1 76 VAL H 1 76 VAL QG . . 3.170 1.908 1.896 1.919 . 0 0 "[ . 1 . 2]" 1
1663 1 76 VAL QG 1 77 CYS H . . 3.290 3.023 2.914 3.141 . 0 0 "[ . 1 . 2]" 1
1664 1 76 VAL QG 1 99 THR HA . . 3.950 3.428 3.381 3.474 . 0 0 "[ . 1 . 2]" 1
1665 1 77 CYS H 1 77 CYS QB . . 3.270 2.990 2.558 3.079 . 0 0 "[ . 1 . 2]" 1
1666 1 77 CYS QB 1 78 SER H . . 3.550 2.475 2.401 3.338 . 0 0 "[ . 1 . 2]" 1
1667 1 77 CYS QB 1 82 ALA MB . . 4.100 3.956 3.175 4.112 0.012 5 0 "[ . 1 . 2]" 1
1668 1 78 SER H 1 78 SER QB . . 3.100 2.474 2.062 2.954 . 0 0 "[ . 1 . 2]" 1
1669 1 78 SER QB 1 80 ASP HA . . 5.030 4.768 4.732 4.853 . 0 0 "[ . 1 . 2]" 1
1670 1 78 SER QB 1 82 ALA H . . 5.340 5.184 5.027 5.307 . 0 0 "[ . 1 . 2]" 1
1671 1 79 PRO QB 1 84 GLY QA . . 4.340 2.083 2.002 2.261 . 0 0 "[ . 1 . 2]" 1
1672 1 79 PRO HG3 1 95 ASN QB . . 4.250 3.109 2.637 3.425 . 0 0 "[ . 1 . 2]" 1
1673 1 80 ASP QB 1 81 TYR H . . 3.610 2.955 2.858 3.578 . 0 0 "[ . 1 . 2]" 1
1674 1 80 ASP QB 1 82 ALA H . . 4.910 4.580 4.504 4.807 . 0 0 "[ . 1 . 2]" 1
1675 1 83 TYR H 1 84 GLY QA . . 4.880 4.218 4.193 4.293 . 0 0 "[ . 1 . 2]" 1
1676 1 83 TYR QB 1 84 GLY H . . 4.410 3.858 3.452 3.960 . 0 0 "[ . 1 . 2]" 1
1677 1 83 TYR QB 1 87 GLY H . . 4.070 3.968 3.894 4.028 . 0 0 "[ . 1 . 2]" 1
1678 1 83 TYR QB 1 87 GLY QA . . 4.510 4.420 4.087 4.520 0.010 12 0 "[ . 1 . 2]" 1
1679 1 83 TYR QB 1 92 ILE MG . . 4.500 4.236 3.061 4.545 0.045 3 0 "[ . 1 . 2]" 1
1680 1 83 TYR QD 1 98 LEU QD . . 4.130 3.224 2.875 3.678 . 0 0 "[ . 1 . 2]" 1
1681 1 83 TYR QE 1 98 LEU QD . . 4.540 3.121 2.531 4.575 0.035 12 0 "[ . 1 . 2]" 1
1682 1 84 GLY QA 1 87 GLY H . . 4.760 3.852 3.563 3.990 . 0 0 "[ . 1 . 2]" 1
1683 1 84 GLY QA 1 92 ILE MG . . 4.060 1.959 1.912 2.019 . 0 0 "[ . 1 . 2]" 1
1684 1 85 SER HA 1 95 ASN QD . . 4.830 4.002 3.898 4.364 . 0 0 "[ . 1 . 2]" 1
1685 1 86 ARG H 1 86 ARG QG . . 4.700 3.331 1.898 3.990 . 0 0 "[ . 1 . 2]" 1
1686 1 86 ARG QG 1 87 GLY H . . 4.170 2.846 1.899 4.160 . 0 0 "[ . 1 . 2]" 1
1687 1 86 ARG QD 1 87 GLY QA . . 4.610 3.781 2.837 4.323 . 0 0 "[ . 1 . 2]" 1
1688 1 87 GLY QA 1 88 HIS H . . 3.030 2.238 2.158 2.268 . 0 0 "[ . 1 . 2]" 1
1689 1 87 GLY QA 1 92 ILE MG . . 4.520 2.178 2.062 2.345 . 0 0 "[ . 1 . 2]" 1
1690 1 88 HIS HA 1 89 PRO QD . . 3.220 2.121 2.105 2.148 . 0 0 "[ . 1 . 2]" 1
1691 1 88 HIS HB2 1 91 VAL QG . . 4.650 2.812 2.721 2.887 . 0 0 "[ . 1 . 2]" 1
1692 1 88 HIS HB3 1 89 PRO QD . . 3.720 2.176 2.110 2.267 . 0 0 "[ . 1 . 2]" 1
1693 1 88 HIS HB3 1 91 VAL QG . . 3.450 2.580 2.437 2.736 . 0 0 "[ . 1 . 2]" 1
1694 1 88 HIS HD2 1 91 VAL QG . . 4.330 3.796 3.537 4.346 0.016 7 0 "[ . 1 . 2]" 1
1695 1 90 GLY QA 1 91 VAL H . . 3.100 2.911 2.905 2.915 . 0 0 "[ . 1 . 2]" 1
1696 1 90 GLY QA 1 91 VAL QG . . 4.660 3.339 3.269 3.386 . 0 0 "[ . 1 . 2]" 1
1697 1 91 VAL H 1 91 VAL QG . . 3.160 2.711 2.619 2.808 . 0 0 "[ . 1 . 2]" 1
1698 1 91 VAL QG 1 92 ILE HG13 . . 3.560 2.079 1.989 2.180 . 0 0 "[ . 1 . 2]" 1
1699 1 92 ILE H 1 93 PRO QD . . 4.410 4.200 4.154 4.222 . 0 0 "[ . 1 . 2]" 1
1700 1 92 ILE HA 1 93 PRO QG . . 4.520 3.843 3.839 3.845 . 0 0 "[ . 1 . 2]" 1
1701 1 92 ILE MG 1 93 PRO QD . . 3.630 1.876 1.868 1.882 . 0 0 "[ . 1 . 2]" 1
1702 1 92 ILE HG12 1 93 PRO QD . . 3.740 3.409 3.382 3.431 . 0 0 "[ . 1 . 2]" 1
1703 1 93 PRO HA 1 94 PRO QG . . 4.420 4.007 4.001 4.013 . 0 0 "[ . 1 . 2]" 1
1704 1 93 PRO HA 1 94 PRO QD . . 3.210 2.095 2.089 2.100 . 0 0 "[ . 1 . 2]" 1
1705 1 93 PRO QB 1 94 PRO QD . . 3.430 2.236 2.221 2.253 . 0 0 "[ . 1 . 2]" 1
1706 1 93 PRO QB 1 96 ALA MB . . 3.940 1.883 1.872 1.894 . 0 0 "[ . 1 . 2]" 1
1707 1 93 PRO QG 1 96 ALA MB . . 3.320 1.883 1.838 1.941 . 0 0 "[ . 1 . 2]" 1
1708 1 93 PRO QG 1 98 LEU QD . . 3.010 2.184 1.945 2.502 . 0 0 "[ . 1 . 2]" 1
1709 1 93 PRO QD 1 96 ALA MB . . 3.950 3.628 3.558 3.704 . 0 0 "[ . 1 . 2]" 1
1710 1 93 PRO QD 1 98 LEU QD . . 5.280 2.036 1.869 2.247 . 0 0 "[ . 1 . 2]" 1
1711 1 94 PRO HB2 1 95 ASN QB . . 4.220 4.157 4.047 4.196 . 0 0 "[ . 1 . 2]" 1
1712 1 94 PRO HB3 1 95 ASN QD . . 4.170 3.546 3.507 3.756 . 0 0 "[ . 1 . 2]" 1
1713 1 94 PRO QD 1 95 ASN H . . 4.930 4.757 4.746 4.767 . 0 0 "[ . 1 . 2]" 1
1714 1 95 ASN HA 1 95 ASN QD . . 4.250 3.804 3.702 3.912 . 0 0 "[ . 1 . 2]" 1
1715 1 95 ASN QB 1 95 ASN QD . . 3.000 2.210 2.143 2.229 . 0 0 "[ . 1 . 2]" 1
1716 1 96 ALA MB 1 98 LEU QD . . 3.180 2.975 2.756 3.225 0.045 2 0 "[ . 1 . 2]" 1
1717 1 97 THR H 1 98 LEU QD . . 5.020 4.448 4.109 4.861 . 0 0 "[ . 1 . 2]" 1
1718 1 98 LEU H 1 98 LEU QD . . 3.740 3.353 3.019 3.656 . 0 0 "[ . 1 . 2]" 1
1719 1 98 LEU HA 1 98 LEU QD . . 3.170 2.314 1.975 2.996 . 0 0 "[ . 1 . 2]" 1
1720 1 98 LEU QB 1 98 LEU QD . . 2.770 1.882 1.723 1.951 . 0 0 "[ . 1 . 2]" 1
1721 1 98 LEU QB 1 99 THR H . . 3.500 2.737 2.481 2.967 . 0 0 "[ . 1 . 2]" 1
1722 1 98 LEU QB 1 100 PHE H . . 4.710 4.297 4.233 4.334 . 0 0 "[ . 1 . 2]" 1
1723 1 98 LEU QB 1 100 PHE QD . . 4.480 3.041 2.690 3.756 . 0 0 "[ . 1 . 2]" 1
1724 1 98 LEU QB 1 100 PHE QE . . 4.560 2.020 1.895 2.937 . 0 0 "[ . 1 . 2]" 1
1725 1 98 LEU QD 1 99 THR H . . 3.800 3.565 3.077 3.812 0.012 4 0 "[ . 1 . 2]" 1
1726 1 100 PHE H 1 102 VAL QG . . 4.800 4.621 4.426 4.802 0.002 16 0 "[ . 1 . 2]" 1
1727 1 100 PHE HA 1 102 VAL QG . . 5.040 4.801 4.644 4.949 . 0 0 "[ . 1 . 2]" 1
1728 1 100 PHE HB2 1 102 VAL QG . . 3.920 3.508 3.262 3.940 0.020 16 0 "[ . 1 . 2]" 1
1729 1 100 PHE HB3 1 102 VAL QG . . 3.660 3.549 3.242 3.674 0.014 15 0 "[ . 1 . 2]" 1
1730 1 101 ASP H 1 101 ASP QB . . 2.980 2.131 2.065 2.326 . 0 0 "[ . 1 . 2]" 1
1731 1 101 ASP H 1 102 VAL QG . . 4.780 4.475 4.334 4.561 . 0 0 "[ . 1 . 2]" 1
1732 1 101 ASP HA 1 102 VAL QG . . 4.750 3.551 3.270 3.756 . 0 0 "[ . 1 . 2]" 1
1733 1 101 ASP QB 1 102 VAL H . . 3.970 3.640 3.302 3.834 . 0 0 "[ . 1 . 2]" 1
1734 1 102 VAL H 1 102 VAL QG . . 3.240 2.346 1.907 2.576 . 0 0 "[ . 1 . 2]" 1
1735 1 102 VAL HA 1 102 VAL QG . . 3.140 2.126 2.074 2.212 . 0 0 "[ . 1 . 2]" 1
1736 1 102 VAL QG 1 103 GLU H . . 3.280 2.517 2.066 3.354 0.074 17 0 "[ . 1 . 2]" 1
1737 1 103 GLU H 1 103 GLU QB . . 3.260 2.584 2.488 2.996 . 0 0 "[ . 1 . 2]" 1
1738 1 103 GLU H 1 105 LEU QD . . 5.440 4.481 4.115 5.461 0.021 4 0 "[ . 1 . 2]" 1
1739 1 103 GLU QB 1 104 LEU H . . 4.480 3.844 3.282 3.955 . 0 0 "[ . 1 . 2]" 1
1740 1 103 GLU QB 1 105 LEU QD . . 4.440 3.305 2.933 4.128 . 0 0 "[ . 1 . 2]" 1
1741 1 103 GLU QG 1 104 LEU H . . 3.970 3.423 3.062 4.093 0.123 10 0 "[ . 1 . 2]" 1
1742 1 103 GLU QG 1 105 LEU QD . . 2.980 2.284 1.854 2.990 0.010 20 0 "[ . 1 . 2]" 1
1743 1 104 LEU H 1 104 LEU QB . . 3.050 2.120 2.114 2.128 . 0 0 "[ . 1 . 2]" 1
1744 1 104 LEU H 1 104 LEU QD . . 4.010 3.333 3.318 3.347 . 0 0 "[ . 1 . 2]" 1
1745 1 104 LEU HA 1 104 LEU QD . . 3.250 2.050 1.982 2.077 . 0 0 "[ . 1 . 2]" 1
1746 1 104 LEU QB 1 106 ARG H . . 5.340 4.626 4.448 5.032 . 0 0 "[ . 1 . 2]" 1
1747 1 104 LEU QD 1 105 LEU H . . 3.210 1.884 1.866 1.915 . 0 0 "[ . 1 . 2]" 1
1748 1 104 LEU QD 1 106 ARG H . . 3.210 2.092 1.948 2.480 . 0 0 "[ . 1 . 2]" 1
1749 1 105 LEU H 1 105 LEU QD . . 5.140 3.071 2.791 3.676 . 0 0 "[ . 1 . 2]" 1
1750 1 105 LEU HA 1 105 LEU QD . . 3.440 2.238 1.908 2.980 . 0 0 "[ . 1 . 2]" 1
1751 1 106 ARG HA 1 107 VAL QG . . 3.860 3.574 3.273 3.854 . 0 0 "[ . 1 . 2]" 1
1752 1 106 ARG QB 1 107 VAL H . . 2.900 2.376 2.244 2.511 . 0 0 "[ . 1 . 2]" 1
1753 1 106 ARG QB 1 107 VAL HA . . 4.550 4.159 3.941 4.350 . 0 0 "[ . 1 . 2]" 1
1754 1 107 VAL H 1 107 VAL QG . . 3.410 2.334 2.071 2.879 . 0 0 "[ . 1 . 2]" 1
1755 1 107 VAL QG 1 108 GLU H . . 3.200 2.162 1.892 2.439 . 0 0 "[ . 1 . 2]" 1
1756 1 107 VAL QG 1 108 GLU QG . . 4.310 3.895 3.692 4.197 . 0 0 "[ . 1 . 2]" 1
1757 1 108 GLU H 1 108 GLU QG . . 3.470 3.256 2.857 3.487 0.017 14 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 106
_Distance_constraint_stats_list.Viol_count 803
_Distance_constraint_stats_list.Viol_total 839.681
_Distance_constraint_stats_list.Viol_max 0.299
_Distance_constraint_stats_list.Viol_rms 0.0433
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0198
_Distance_constraint_stats_list.Viol_average_violations_only 0.0523
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.263 0.078 8 0 "[ . 1 . 2]"
1 4 GLN 0.196 0.068 8 0 "[ . 1 . 2]"
1 6 VAL 0.828 0.103 1 0 "[ . 1 . 2]"
1 8 LEU 0.017 0.014 14 0 "[ . 1 . 2]"
1 9 ALA 0.458 0.042 20 0 "[ . 1 . 2]"
1 12 ASP 0.043 0.023 14 0 "[ . 1 . 2]"
1 15 THR 0.100 0.024 2 0 "[ . 1 . 2]"
1 18 LYS 0.045 0.031 3 0 "[ . 1 . 2]"
1 20 GLY 0.035 0.014 9 0 "[ . 1 . 2]"
1 21 GLN 1.216 0.123 11 0 "[ . 1 . 2]"
1 22 VAL 0.017 0.015 20 0 "[ . 1 . 2]"
1 23 ALA 1.552 0.132 12 0 "[ . 1 . 2]"
1 24 VAL 0.573 0.068 10 0 "[ . 1 . 2]"
1 25 VAL 0.690 0.104 12 0 "[ . 1 . 2]"
1 26 HIS 0.752 0.077 8 0 "[ . 1 . 2]"
1 27 TYR 0.279 0.044 11 0 "[ . 1 . 2]"
1 28 THR 1.256 0.108 2 0 "[ . 1 . 2]"
1 29 GLY 1.475 0.091 16 0 "[ . 1 . 2]"
1 30 THR 2.278 0.174 8 0 "[ . 1 . 2]"
1 31 LEU 0.128 0.019 16 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.128 0.019 16 0 "[ . 1 . 2]"
1 37 PHE 0.251 0.037 11 0 "[ . 1 . 2]"
1 38 ASP 1.224 0.091 16 0 "[ . 1 . 2]"
1 40 SER 0.279 0.044 11 0 "[ . 1 . 2]"
1 47 PHE 0.690 0.104 12 0 "[ . 1 . 2]"
1 49 PHE 1.552 0.132 12 0 "[ . 1 . 2]"
1 50 THR 0.533 0.049 11 0 "[ . 1 . 2]"
1 51 VAL 1.206 0.123 11 0 "[ . 1 . 2]"
1 53 ARG 0.533 0.049 11 0 "[ . 1 . 2]"
1 57 ILE 0.959 0.066 11 0 "[ . 1 . 2]"
1 58 ARG 1.058 0.063 8 0 "[ . 1 . 2]"
1 59 GLY 1.351 0.078 8 0 "[ . 1 . 2]"
1 60 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 2.704 0.164 18 0 "[ . 1 . 2]"
1 62 GLU 2.918 0.122 3 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 1.180 0.115 20 0 "[ . 1 . 2]"
1 65 ALA 1.745 0.164 18 0 "[ . 1 . 2]"
1 66 GLN 1.860 0.122 3 0 "[ . 1 . 2]"
1 67 MET 1.180 0.115 20 0 "[ . 1 . 2]"
1 68 SER 0.469 0.038 10 0 "[ . 1 . 2]"
1 69 VAL 0.143 0.024 2 0 "[ . 1 . 2]"
1 70 GLY 0.943 0.082 8 0 "[ . 1 . 2]"
1 71 GLN 0.911 0.081 16 0 "[ . 1 . 2]"
1 72 ARG 0.475 0.042 20 0 "[ . 1 . 2]"
1 73 ALA 0.682 0.050 16 0 "[ . 1 . 2]"
1 74 LYS 0.828 0.103 1 0 "[ . 1 . 2]"
1 75 LEU 0.347 0.060 10 0 "[ . 1 . 2]"
1 76 VAL 0.196 0.068 8 0 "[ . 1 . 2]"
1 77 CYS 5.641 0.187 10 0 "[ . 1 . 2]"
1 78 SER 0.263 0.078 8 0 "[ . 1 . 2]"
1 79 PRO 0.929 0.059 8 0 "[ . 1 . 2]"
1 81 TYR 1.351 0.078 8 0 "[ . 1 . 2]"
1 82 ALA 0.929 0.059 8 0 "[ . 1 . 2]"
1 84 GLY 0.585 0.069 14 0 "[ . 1 . 2]"
1 88 HIS 11.104 0.299 17 0 "[ . 1 . 2]"
1 91 VAL 10.054 0.299 17 0 "[ . 1 . 2]"
1 92 ILE 1.050 0.060 8 0 "[ . 1 . 2]"
1 95 ASN 0.585 0.069 14 0 "[ . 1 . 2]"
1 98 LEU 5.641 0.187 10 0 "[ . 1 . 2]"
1 99 THR 2.278 0.174 8 0 "[ . 1 . 2]"
1 100 PHE 0.347 0.060 10 0 "[ . 1 . 2]"
1 101 ASP 1.256 0.108 2 0 "[ . 1 . 2]"
1 102 VAL 0.682 0.050 16 0 "[ . 1 . 2]"
1 103 GLU 0.752 0.077 8 0 "[ . 1 . 2]"
1 104 LEU 1.385 0.082 8 0 "[ . 1 . 2]"
1 105 LEU 0.383 0.068 10 0 "[ . 1 . 2]"
1 106 ARG 0.190 0.023 17 0 "[ . 1 . 2]"
1 108 GLU 0.017 0.015 20 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 4 GLN H 1 76 VAL O . . 2.000 1.818 1.787 2.015 0.015 8 0 "[ . 1 . 2]" 2
2 1 4 GLN N 1 76 VAL O . . 3.000 2.751 2.728 2.821 . 0 0 "[ . 1 . 2]" 2
3 1 6 VAL H 1 74 LYS O . . 2.000 1.974 1.896 2.103 0.103 1 0 "[ . 1 . 2]" 2
4 1 6 VAL N 1 74 LYS O . . 3.000 2.925 2.839 3.048 0.048 1 0 "[ . 1 . 2]" 2
5 1 8 LEU H 1 72 ARG O . . 2.000 1.931 1.840 2.014 0.014 14 0 "[ . 1 . 2]" 2
6 1 8 LEU N 1 72 ARG O . . 3.000 2.821 2.737 2.914 . 0 0 "[ . 1 . 2]" 2
7 1 9 ALA H 1 72 ARG O . . 2.000 1.929 1.849 2.010 0.010 12 0 "[ . 1 . 2]" 2
8 1 9 ALA N 1 72 ARG O . . 3.000 2.896 2.816 2.972 . 0 0 "[ . 1 . 2]" 2
9 1 12 ASP H 1 69 VAL O . . 2.000 1.973 1.896 2.023 0.023 14 0 "[ . 1 . 2]" 2
10 1 12 ASP N 1 69 VAL O . . 3.000 2.882 2.813 2.968 . 0 0 "[ . 1 . 2]" 2
11 1 20 GLY H 1 51 VAL O . . 2.000 1.882 1.789 2.014 0.014 9 0 "[ . 1 . 2]" 2
12 1 20 GLY N 1 51 VAL O . . 3.000 2.832 2.739 2.973 . 0 0 "[ . 1 . 2]" 2
13 1 18 LYS O 1 21 GLN H . . 2.000 1.928 1.852 2.031 0.031 3 0 "[ . 1 . 2]" 2
14 1 18 LYS O 1 21 GLN N . . 3.000 2.846 2.775 2.953 . 0 0 "[ . 1 . 2]" 2
15 1 23 ALA H 1 49 PHE O . . 2.000 1.838 1.778 2.012 0.012 12 0 "[ . 1 . 2]" 2
16 1 23 ALA N 1 49 PHE O . . 3.000 2.762 2.721 2.843 . 0 0 "[ . 1 . 2]" 2
17 1 24 VAL H 1 106 ARG O . . 2.000 2.003 1.911 2.023 0.023 17 0 "[ . 1 . 2]" 2
18 1 24 VAL N 1 106 ARG O . . 3.000 2.935 2.856 2.985 . 0 0 "[ . 1 . 2]" 2
19 1 25 VAL H 1 47 PHE O . . 2.000 1.966 1.792 2.019 0.019 9 0 "[ . 1 . 2]" 2
20 1 25 VAL N 1 47 PHE O . . 3.000 2.940 2.762 2.996 . 0 0 "[ . 1 . 2]" 2
21 1 26 HIS H 1 103 GLU O . . 2.000 1.870 1.794 1.957 . 0 0 "[ . 1 . 2]" 2
22 1 26 HIS N 1 103 GLU O . . 3.000 2.784 2.719 2.906 . 0 0 "[ . 1 . 2]" 2
23 1 28 THR H 1 101 ASP O . . 2.000 2.062 2.023 2.108 0.108 2 0 "[ . 1 . 2]" 2
24 1 28 THR N 1 101 ASP O . . 3.000 2.792 2.722 2.879 . 0 0 "[ . 1 . 2]" 2
25 1 29 GLY H 1 38 ASP O . . 2.000 2.061 2.038 2.091 0.091 16 0 "[ . 1 . 2]" 2
26 1 29 GLY N 1 38 ASP O . . 3.000 2.927 2.847 2.986 . 0 0 "[ . 1 . 2]" 2
27 1 31 LEU H 1 35 LYS O . . 2.000 1.998 1.958 2.019 0.019 16 0 "[ . 1 . 2]" 2
28 1 31 LEU N 1 35 LYS O . . 3.000 2.908 2.868 2.938 . 0 0 "[ . 1 . 2]" 2
29 1 31 LEU O 1 34 GLY H . . 2.000 1.869 1.848 1.966 . 0 0 "[ . 1 . 2]" 2
30 1 31 LEU O 1 34 GLY N . . 3.000 2.759 2.743 2.849 . 0 0 "[ . 1 . 2]" 2
31 1 29 GLY O 1 37 PHE H . . 2.000 2.009 1.946 2.037 0.037 11 0 "[ . 1 . 2]" 2
32 1 29 GLY O 1 37 PHE N . . 3.000 2.931 2.890 2.968 . 0 0 "[ . 1 . 2]" 2
33 1 27 TYR O 1 40 SER H . . 2.000 1.911 1.797 2.044 0.044 11 0 "[ . 1 . 2]" 2
34 1 27 TYR O 1 40 SER N . . 3.000 2.885 2.769 3.022 0.022 11 0 "[ . 1 . 2]" 2
35 1 25 VAL O 1 47 PHE H . . 2.000 2.029 1.993 2.104 0.104 12 0 "[ . 1 . 2]" 2
36 1 25 VAL O 1 47 PHE N . . 3.000 2.841 2.746 2.992 . 0 0 "[ . 1 . 2]" 2
37 1 23 ALA O 1 49 PHE H . . 2.000 2.071 2.034 2.132 0.132 12 0 "[ . 1 . 2]" 2
38 1 23 ALA O 1 49 PHE N . . 3.000 2.999 2.968 3.032 0.032 11 0 "[ . 1 . 2]" 2
39 1 21 GLN O 1 51 VAL H . . 2.000 2.059 2.017 2.123 0.123 11 0 "[ . 1 . 2]" 2
40 1 21 GLN O 1 51 VAL N . . 3.000 2.870 2.806 2.935 . 0 0 "[ . 1 . 2]" 2
41 1 50 THR O 1 53 ARG H . . 2.000 2.026 2.011 2.049 0.049 11 0 "[ . 1 . 2]" 2
42 1 50 THR O 1 53 ARG N . . 3.000 2.990 2.968 3.011 0.011 11 0 "[ . 1 . 2]" 2
43 1 59 GLY H 1 81 TYR O . . 2.000 2.058 2.035 2.078 0.078 8 0 "[ . 1 . 2]" 2
44 1 59 GLY N 1 81 TYR O . . 3.000 3.008 2.990 3.024 0.024 8 0 "[ . 1 . 2]" 2
45 1 57 ILE O 1 61 ASP H . . 2.000 2.040 2.006 2.066 0.066 11 0 "[ . 1 . 2]" 2
46 1 57 ILE O 1 61 ASP N . . 3.000 3.006 2.968 3.042 0.042 11 0 "[ . 1 . 2]" 2
47 1 58 ARG O 1 62 GLU H . . 2.000 2.043 2.018 2.063 0.063 8 0 "[ . 1 . 2]" 2
48 1 58 ARG O 1 62 GLU N . . 3.000 3.009 2.980 3.024 0.024 7 0 "[ . 1 . 2]" 2
49 1 59 GLY O 1 63 GLY H . . 2.000 1.790 1.781 1.809 . 0 0 "[ . 1 . 2]" 2
50 1 59 GLY O 1 63 GLY N . . 3.000 2.728 2.694 2.751 . 0 0 "[ . 1 . 2]" 2
51 1 60 TRP O 1 64 VAL H . . 2.000 1.801 1.793 1.818 . 0 0 "[ . 1 . 2]" 2
52 1 60 TRP O 1 64 VAL N . . 3.000 2.733 2.706 2.751 . 0 0 "[ . 1 . 2]" 2
53 1 61 ASP O 1 65 ALA H . . 2.000 2.087 2.068 2.164 0.164 18 0 "[ . 1 . 2]" 2
54 1 61 ASP O 1 65 ALA N . . 3.000 2.915 2.887 3.000 . 3 0 "[ . 1 . 2]" 2
55 1 62 GLU O 1 66 GLN H . . 2.000 2.093 2.074 2.122 0.122 3 0 "[ . 1 . 2]" 2
56 1 62 GLU O 1 66 GLN N . . 3.000 2.952 2.934 2.970 . 0 0 "[ . 1 . 2]" 2
57 1 64 VAL O 1 67 MET H . . 2.000 2.058 2.032 2.115 0.115 20 0 "[ . 1 . 2]" 2
58 1 64 VAL O 1 67 MET N . . 3.000 2.927 2.806 3.011 0.011 20 0 "[ . 1 . 2]" 2
59 1 15 THR O 1 69 VAL H . . 2.000 1.995 1.904 2.024 0.024 2 0 "[ . 1 . 2]" 2
60 1 15 THR O 1 69 VAL N . . 3.000 2.960 2.864 2.990 . 0 0 "[ . 1 . 2]" 2
61 1 70 GLY H 1 104 LEU O . . 2.000 2.047 2.015 2.082 0.082 8 0 "[ . 1 . 2]" 2
62 1 70 GLY N 1 104 LEU O . . 3.000 2.855 2.803 2.908 . 0 0 "[ . 1 . 2]" 2
63 1 68 SER O 1 71 GLN H . . 2.000 2.023 2.009 2.038 0.038 10 0 "[ . 1 . 2]" 2
64 1 68 SER O 1 71 GLN N . . 3.000 2.799 2.753 2.835 . 0 0 "[ . 1 . 2]" 2
65 1 9 ALA O 1 72 ARG H . . 2.000 2.020 1.984 2.042 0.042 20 0 "[ . 1 . 2]" 2
66 1 9 ALA O 1 72 ARG N . . 3.000 2.986 2.938 3.012 0.012 9 0 "[ . 1 . 2]" 2
67 1 73 ALA H 1 102 VAL O . . 2.000 2.010 1.933 2.050 0.050 16 0 "[ . 1 . 2]" 2
68 1 73 ALA N 1 102 VAL O . . 3.000 2.972 2.896 3.012 0.012 16 0 "[ . 1 . 2]" 2
69 1 6 VAL O 1 74 LYS H . . 2.000 1.995 1.871 2.054 0.054 1 0 "[ . 1 . 2]" 2
70 1 6 VAL O 1 74 LYS N . . 3.000 2.940 2.795 3.006 0.006 1 0 "[ . 1 . 2]" 2
71 1 75 LEU H 1 100 PHE O . . 2.000 1.997 1.884 2.033 0.033 17 0 "[ . 1 . 2]" 2
72 1 75 LEU N 1 100 PHE O . . 3.000 2.841 2.748 2.899 . 0 0 "[ . 1 . 2]" 2
73 1 4 GLN O 1 76 VAL H . . 2.000 1.980 1.883 2.068 0.068 8 0 "[ . 1 . 2]" 2
74 1 4 GLN O 1 76 VAL N . . 3.000 2.861 2.755 2.983 . 0 0 "[ . 1 . 2]" 2
75 1 77 CYS H 1 98 LEU O . . 2.000 2.137 2.098 2.187 0.187 10 0 "[ . 1 . 2]" 2
76 1 77 CYS N 1 98 LEU O . . 3.000 2.968 2.939 2.997 . 0 0 "[ . 1 . 2]" 2
77 1 2 GLY O 1 78 SER H . . 2.000 1.988 1.840 2.078 0.078 8 0 "[ . 1 . 2]" 2
78 1 2 GLY O 1 78 SER N . . 3.000 2.897 2.760 2.975 . 0 0 "[ . 1 . 2]" 2
79 1 79 PRO O 1 82 ALA H . . 2.000 2.046 2.034 2.059 0.059 8 0 "[ . 1 . 2]" 2
80 1 79 PRO O 1 82 ALA N . . 3.000 2.976 2.966 2.989 . 0 0 "[ . 1 . 2]" 2
81 1 88 HIS H 1 92 ILE O . . 2.000 2.031 2.001 2.060 0.060 8 0 "[ . 1 . 2]" 2
82 1 88 HIS N 1 92 ILE O . . 3.000 2.828 2.713 2.937 . 0 0 "[ . 1 . 2]" 2
83 1 88 HIS O 1 91 VAL H . . 2.000 2.284 2.274 2.299 0.299 17 0 "[ . 1 . 2]" 2
84 1 88 HIS O 1 91 VAL N . . 3.000 3.219 3.206 3.238 0.238 12 0 "[ . 1 . 2]" 2
85 1 88 HIS O 1 92 ILE H . . 2.000 2.017 1.916 2.042 0.042 6 0 "[ . 1 . 2]" 2
86 1 88 HIS O 1 92 ILE N . . 3.000 2.889 2.847 2.934 . 0 0 "[ . 1 . 2]" 2
87 1 84 GLY O 1 95 ASN H . . 2.000 2.011 1.896 2.069 0.069 14 0 "[ . 1 . 2]" 2
88 1 84 GLY O 1 95 ASN N . . 3.000 2.754 2.725 2.825 . 0 0 "[ . 1 . 2]" 2
89 1 77 CYS O 1 98 LEU H . . 2.000 2.089 2.053 2.123 0.123 3 0 "[ . 1 . 2]" 2
90 1 77 CYS O 1 98 LEU N . . 3.000 3.056 3.023 3.076 0.076 11 0 "[ . 1 . 2]" 2
91 1 30 THR O 1 99 THR H . . 2.000 2.113 2.049 2.174 0.174 8 0 "[ . 1 . 2]" 2
92 1 30 THR O 1 99 THR N . . 3.000 2.942 2.848 3.017 0.017 8 0 "[ . 1 . 2]" 2
93 1 75 LEU O 1 100 PHE H . . 2.000 1.953 1.851 2.060 0.060 10 0 "[ . 1 . 2]" 2
94 1 75 LEU O 1 100 PHE N . . 3.000 2.814 2.741 2.912 . 0 0 "[ . 1 . 2]" 2
95 1 28 THR O 1 101 ASP H . . 2.000 1.915 1.806 2.010 0.010 11 0 "[ . 1 . 2]" 2
96 1 28 THR O 1 101 ASP N . . 3.000 2.761 2.722 2.823 . 0 0 "[ . 1 . 2]" 2
97 1 73 ALA O 1 102 VAL H . . 2.000 1.992 1.897 2.047 0.047 5 0 "[ . 1 . 2]" 2
98 1 73 ALA O 1 102 VAL N . . 3.000 2.809 2.768 2.864 . 0 0 "[ . 1 . 2]" 2
99 1 26 HIS O 1 103 GLU H . . 2.000 2.038 2.009 2.077 0.077 8 0 "[ . 1 . 2]" 2
100 1 26 HIS O 1 103 GLU N . . 3.000 2.845 2.782 2.966 . 0 0 "[ . 1 . 2]" 2
101 1 71 GLN O 1 104 LEU H . . 2.000 2.008 1.887 2.081 0.081 16 0 "[ . 1 . 2]" 2
102 1 71 GLN O 1 104 LEU N . . 3.000 2.866 2.740 2.988 . 0 0 "[ . 1 . 2]" 2
103 1 24 VAL O 1 105 LEU H . . 2.000 2.012 1.950 2.068 0.068 10 0 "[ . 1 . 2]" 2
104 1 24 VAL O 1 105 LEU N . . 3.000 2.946 2.880 2.996 . 0 0 "[ . 1 . 2]" 2
105 1 22 VAL O 1 108 GLU H . . 2.000 1.884 1.776 2.015 0.015 20 0 "[ . 1 . 2]" 2
106 1 22 VAL O 1 108 GLU N . . 3.000 2.744 2.718 2.853 . 0 0 "[ . 1 . 2]" 2
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