NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
417255 |
2dmk   |
11106 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dmk
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 2498
_Distance_constraint_stats_list.Viol_count 1348
_Distance_constraint_stats_list.Viol_total 570.905
_Distance_constraint_stats_list.Viol_max 0.332
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0212
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.090 0.037 12 0 "[ . 1 . 2]"
1 10 LEU 0.972 0.185 12 0 "[ . 1 . 2]"
1 11 ASP 0.328 0.104 15 0 "[ . 1 . 2]"
1 12 TYR 4.185 0.285 16 0 "[ . 1 . 2]"
1 13 LEU 4.838 0.285 16 0 "[ . 1 . 2]"
1 14 THR 2.495 0.247 20 0 "[ . 1 . 2]"
1 15 ALA 0.872 0.132 20 0 "[ . 1 . 2]"
1 16 PRO 0.127 0.025 10 0 "[ . 1 . 2]"
1 17 ASN 0.273 0.081 18 0 "[ . 1 . 2]"
1 18 PRO 0.118 0.021 13 0 "[ . 1 . 2]"
1 19 PRO 0.175 0.017 19 0 "[ . 1 . 2]"
1 20 SER 0.216 0.031 8 0 "[ . 1 . 2]"
1 21 ILE 0.120 0.029 11 0 "[ . 1 . 2]"
1 22 ARG 0.540 0.058 8 0 "[ . 1 . 2]"
1 23 GLU 0.362 0.209 5 0 "[ . 1 . 2]"
1 24 GLU 0.142 0.120 17 0 "[ . 1 . 2]"
1 25 LEU 0.401 0.058 8 0 "[ . 1 . 2]"
1 26 CYS 0.291 0.049 15 0 "[ . 1 . 2]"
1 27 THR 0.341 0.059 15 0 "[ . 1 . 2]"
1 28 ALA 0.285 0.039 8 0 "[ . 1 . 2]"
1 29 SER 0.258 0.039 8 0 "[ . 1 . 2]"
1 30 HIS 0.356 0.132 14 0 "[ . 1 . 2]"
1 31 ASP 0.106 0.032 17 0 "[ . 1 . 2]"
1 32 THR 0.105 0.031 1 0 "[ . 1 . 2]"
1 33 ILE 0.097 0.031 1 0 "[ . 1 . 2]"
1 34 THR 0.312 0.059 15 0 "[ . 1 . 2]"
1 35 VAL 0.104 0.014 15 0 "[ . 1 . 2]"
1 36 HIS 0.131 0.014 15 0 "[ . 1 . 2]"
1 37 TRP 0.163 0.018 19 0 "[ . 1 . 2]"
1 38 ILE 0.631 0.094 5 0 "[ . 1 . 2]"
1 39 SER 0.077 0.020 9 0 "[ . 1 . 2]"
1 40 ASP 0.017 0.017 13 0 "[ . 1 . 2]"
1 41 ASP 1.059 0.204 17 0 "[ . 1 . 2]"
1 42 GLU 0.931 0.204 17 0 "[ . 1 . 2]"
1 43 PHE 0.007 0.006 19 0 "[ . 1 . 2]"
1 44 SER 0.124 0.013 2 0 "[ . 1 . 2]"
1 45 ILE 0.298 0.036 11 0 "[ . 1 . 2]"
1 46 SER 0.140 0.043 11 0 "[ . 1 . 2]"
1 47 SER 0.235 0.044 9 0 "[ . 1 . 2]"
1 48 TYR 0.268 0.036 11 0 "[ . 1 . 2]"
1 49 GLU 0.197 0.036 19 0 "[ . 1 . 2]"
1 50 LEU 0.151 0.039 4 0 "[ . 1 . 2]"
1 51 GLN 0.587 0.080 12 0 "[ . 1 . 2]"
1 52 TYR 0.646 0.080 12 0 "[ . 1 . 2]"
1 53 THR 0.324 0.064 11 0 "[ . 1 . 2]"
1 54 ILE 0.205 0.029 19 0 "[ . 1 . 2]"
1 55 PHE 0.194 0.030 13 0 "[ . 1 . 2]"
1 56 THR 0.508 0.181 7 0 "[ . 1 . 2]"
1 58 GLN 0.448 0.332 18 0 "[ . 1 . 2]"
1 59 ALA 0.007 0.007 20 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.083 0.034 19 0 "[ . 1 . 2]"
1 62 ILE 0.092 0.049 19 0 "[ . 1 . 2]"
1 63 SER 0.035 0.013 17 0 "[ . 1 . 2]"
1 64 LEU 0.312 0.082 19 0 "[ . 1 . 2]"
1 65 TYR 0.275 0.045 13 0 "[ . 1 . 2]"
1 66 ASN 0.084 0.049 19 0 "[ . 1 . 2]"
1 67 SER 0.593 0.118 16 0 "[ . 1 . 2]"
1 68 VAL 1.637 0.118 13 0 "[ . 1 . 2]"
1 69 ASP 0.085 0.052 12 0 "[ . 1 . 2]"
1 70 SER 0.025 0.013 19 0 "[ . 1 . 2]"
1 71 TRP 0.846 0.103 9 0 "[ . 1 . 2]"
1 72 MET 0.750 0.128 11 0 "[ . 1 . 2]"
1 73 ILE 1.429 0.136 8 0 "[ . 1 . 2]"
1 74 VAL 0.667 0.121 8 0 "[ . 1 . 2]"
1 75 PRO 0.405 0.042 8 0 "[ . 1 . 2]"
1 76 ASN 0.106 0.027 12 0 "[ . 1 . 2]"
1 77 ILE 0.361 0.069 14 0 "[ . 1 . 2]"
1 78 LYS 0.577 0.069 14 0 "[ . 1 . 2]"
1 79 GLN 0.346 0.029 7 0 "[ . 1 . 2]"
1 80 ASN 0.081 0.019 19 0 "[ . 1 . 2]"
1 81 HIS 0.176 0.025 14 0 "[ . 1 . 2]"
1 82 TYR 0.045 0.012 19 0 "[ . 1 . 2]"
1 83 THR 0.065 0.025 19 0 "[ . 1 . 2]"
1 84 VAL 0.042 0.008 11 0 "[ . 1 . 2]"
1 85 HIS 0.010 0.007 12 0 "[ . 1 . 2]"
1 86 GLY 0.041 0.032 17 0 "[ . 1 . 2]"
1 87 LEU 0.092 0.014 17 0 "[ . 1 . 2]"
1 88 GLN 0.067 0.008 9 0 "[ . 1 . 2]"
1 89 SER 0.482 0.096 15 0 "[ . 1 . 2]"
1 90 GLY 0.088 0.024 15 0 "[ . 1 . 2]"
1 91 THR 0.182 0.021 19 0 "[ . 1 . 2]"
1 92 ARG 0.229 0.036 15 0 "[ . 1 . 2]"
1 93 TYR 0.052 0.016 15 0 "[ . 1 . 2]"
1 94 ILE 1.323 0.162 15 0 "[ . 1 . 2]"
1 95 PHE 0.193 0.031 13 0 "[ . 1 . 2]"
1 96 ILE 0.585 0.144 9 0 "[ . 1 . 2]"
1 97 VAL 0.250 0.022 11 0 "[ . 1 . 2]"
1 98 LYS 0.559 0.106 18 0 "[ . 1 . 2]"
1 99 ALA 0.364 0.044 9 0 "[ . 1 . 2]"
1 100 ILE 0.601 0.106 18 0 "[ . 1 . 2]"
1 101 ASN 0.693 0.053 19 0 "[ . 1 . 2]"
1 102 GLN 0.700 0.161 15 0 "[ . 1 . 2]"
1 103 ALA 0.652 0.161 15 0 "[ . 1 . 2]"
1 104 GLY 0.364 0.043 19 0 "[ . 1 . 2]"
1 105 SER 0.260 0.053 19 0 "[ . 1 . 2]"
1 106 ARG 0.178 0.019 6 0 "[ . 1 . 2]"
1 107 ASN 0.259 0.144 9 0 "[ . 1 . 2]"
1 108 SER 0.082 0.023 15 0 "[ . 1 . 2]"
1 109 GLU 0.035 0.029 11 0 "[ . 1 . 2]"
1 110 PRO 0.220 0.039 15 0 "[ . 1 . 2]"
1 111 THR 0.688 0.115 15 0 "[ . 1 . 2]"
1 112 ARG 1.062 0.162 15 0 "[ . 1 . 2]"
1 113 LEU 0.507 0.107 15 0 "[ . 1 . 2]"
1 114 LYS 0.209 0.036 15 0 "[ . 1 . 2]"
1 115 THR 0.194 0.096 15 0 "[ . 1 . 2]"
1 116 ASN 0.005 0.003 15 0 "[ . 1 . 2]"
1 117 SER 0.024 0.024 15 0 "[ . 1 . 2]"
1 118 GLN 0.487 0.132 14 0 "[ . 1 . 2]"
1 119 PRO 0.672 0.100 19 0 "[ . 1 . 2]"
1 120 PHE 0.632 0.100 19 0 "[ . 1 . 2]"
1 121 LYS 0.284 0.096 4 0 "[ . 1 . 2]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 81 HIS H 1 82 TYR H . . 4.320 3.981 3.905 4.195 . 0 0 "[ . 1 . 2]" 1
2 1 80 ASN HA 1 81 HIS H . . 3.380 3.144 3.091 3.321 . 0 0 "[ . 1 . 2]" 1
3 1 80 ASN QB 1 81 HIS H . . 3.870 3.562 3.282 3.626 . 0 0 "[ . 1 . 2]" 1
4 1 34 THR MG 1 81 HIS H . . 5.500 5.392 5.310 5.488 . 0 0 "[ . 1 . 2]" 1
5 1 37 TRP H 1 81 HIS H . . 5.160 5.063 4.678 5.164 0.004 20 0 "[ . 1 . 2]" 1
6 1 80 ASN H 1 81 HIS H . . 3.310 2.460 2.291 2.611 . 0 0 "[ . 1 . 2]" 1
7 1 79 GLN HE21 1 81 HIS H . . 4.570 4.309 4.102 4.573 0.003 12 0 "[ . 1 . 2]" 1
8 1 79 GLN H 1 81 HIS H . . 4.810 4.460 4.344 4.687 . 0 0 "[ . 1 . 2]" 1
9 1 79 GLN HE22 1 81 HIS H . . 5.500 5.380 5.080 5.508 0.008 14 0 "[ . 1 . 2]" 1
10 1 81 HIS H 1 81 HIS HD2 . . 4.260 3.728 3.497 3.884 . 0 0 "[ . 1 . 2]" 1
11 1 37 TRP HE1 1 81 HIS H . . 4.740 4.358 4.153 4.598 . 0 0 "[ . 1 . 2]" 1
12 1 79 GLN HA 1 81 HIS H . . 4.150 4.059 3.942 4.175 0.025 14 0 "[ . 1 . 2]" 1
13 1 79 GLN QG 1 81 HIS H . . 3.190 1.998 1.885 2.306 . 0 0 "[ . 1 . 2]" 1
14 1 79 GLN HB2 1 81 HIS H . . 3.510 2.589 2.353 2.772 . 0 0 "[ . 1 . 2]" 1
15 1 21 ILE H 1 22 ARG H . . 5.170 4.378 4.237 4.503 . 0 0 "[ . 1 . 2]" 1
16 1 22 ARG H 1 23 GLU H . . 5.500 4.400 3.974 4.522 . 0 0 "[ . 1 . 2]" 1
17 1 22 ARG H 1 37 TRP HA . . 3.560 2.636 2.361 2.880 . 0 0 "[ . 1 . 2]" 1
18 1 21 ILE HA 1 22 ARG H . . 3.290 2.158 2.140 2.197 . 0 0 "[ . 1 . 2]" 1
19 1 22 ARG H 1 37 TRP HB3 . . 5.450 4.493 4.140 4.801 . 0 0 "[ . 1 . 2]" 1
20 1 22 ARG H 1 37 TRP HB2 . . 5.370 5.079 4.754 5.372 0.002 7 0 "[ . 1 . 2]" 1
21 1 22 ARG H 1 22 ARG HB3 . . 4.200 3.613 3.598 3.654 . 0 0 "[ . 1 . 2]" 1
22 1 22 ARG H 1 22 ARG QG . . 3.530 2.302 2.085 2.527 . 0 0 "[ . 1 . 2]" 1
23 1 21 ILE MG 1 22 ARG H . . 3.290 2.995 2.601 3.295 0.005 14 0 "[ . 1 . 2]" 1
24 1 22 ARG H 1 25 LEU MD1 . . 4.620 4.320 4.043 4.508 . 0 0 "[ . 1 . 2]" 1
25 1 37 TRP HZ2 1 81 HIS H . . 4.300 3.216 2.934 3.606 . 0 0 "[ . 1 . 2]" 1
26 1 21 ILE HB 1 22 ARG H . . 4.520 4.371 4.245 4.454 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLY H 1 10 LEU H . . 4.610 3.825 2.389 4.647 0.037 12 0 "[ . 1 . 2]" 1
28 1 98 LYS H 1 99 ALA H . . 4.880 4.210 4.103 4.347 . 0 0 "[ . 1 . 2]" 1
29 1 99 ALA H 1 107 ASN HA . . 4.250 4.044 3.585 4.289 0.039 9 0 "[ . 1 . 2]" 1
30 1 98 LYS HA 1 99 ALA H . . 3.150 2.148 2.141 2.160 . 0 0 "[ . 1 . 2]" 1
31 1 19 PRO HD2 1 99 ALA H . . 4.730 3.710 3.486 3.993 . 0 0 "[ . 1 . 2]" 1
32 1 19 PRO HG3 1 99 ALA H . . 4.570 3.343 2.950 3.636 . 0 0 "[ . 1 . 2]" 1
33 1 98 LYS QB 1 99 ALA H . . 3.900 3.856 3.727 3.921 0.021 6 0 "[ . 1 . 2]" 1
34 1 98 LYS HG3 1 99 ALA H . . 4.240 3.452 2.930 3.980 . 0 0 "[ . 1 . 2]" 1
35 1 55 PHE H 1 55 PHE QD . . 4.490 4.202 4.035 4.308 . 0 0 "[ . 1 . 2]" 1
36 1 55 PHE H 1 94 ILE H . . 4.130 3.735 3.317 4.110 . 0 0 "[ . 1 . 2]" 1
37 1 55 PHE H 1 55 PHE HB3 . . 3.700 2.531 2.376 2.697 . 0 0 "[ . 1 . 2]" 1
38 1 55 PHE H 1 91 THR MG . . 4.260 3.733 3.448 4.060 . 0 0 "[ . 1 . 2]" 1
39 1 54 ILE HG12 1 55 PHE H . . 4.700 4.439 4.211 4.687 . 0 0 "[ . 1 . 2]" 1
40 1 55 PHE H 1 93 TYR QD . . 5.500 4.589 4.392 4.746 . 0 0 "[ . 1 . 2]" 1
41 1 55 PHE H 1 93 TYR HA . . 3.590 2.883 2.602 3.089 . 0 0 "[ . 1 . 2]" 1
42 1 54 ILE HA 1 55 PHE H . . 3.160 2.147 2.139 2.180 . 0 0 "[ . 1 . 2]" 1
43 1 55 PHE H 1 55 PHE HB2 . . 3.750 2.841 2.681 3.001 . 0 0 "[ . 1 . 2]" 1
44 1 55 PHE H 1 94 ILE HG13 . . 4.450 4.203 3.741 4.453 0.003 20 0 "[ . 1 . 2]" 1
45 1 96 ILE MG 1 107 ASN HD21 . . 4.620 2.741 1.981 3.704 . 0 0 "[ . 1 . 2]" 1
46 1 96 ILE MG 1 107 ASN HD22 . . 4.620 3.726 1.957 4.582 . 0 0 "[ . 1 . 2]" 1
47 1 78 LYS H 1 78 LYS HB2 . . 3.350 2.648 2.527 2.770 . 0 0 "[ . 1 . 2]" 1
48 1 78 LYS H 1 78 LYS QG . . 3.420 2.770 2.304 3.465 0.045 11 0 "[ . 1 . 2]" 1
49 1 77 ILE HG12 1 78 LYS H . . 4.850 4.609 4.478 4.720 . 0 0 "[ . 1 . 2]" 1
50 1 77 ILE MD 1 78 LYS H . . 5.410 5.311 5.113 5.405 . 0 0 "[ . 1 . 2]" 1
51 1 111 THR H 1 112 ARG H . . 4.670 4.218 4.027 4.304 . 0 0 "[ . 1 . 2]" 1
52 1 112 ARG H 1 113 LEU H . . 5.110 4.542 4.477 4.603 . 0 0 "[ . 1 . 2]" 1
53 1 94 ILE HA 1 112 ARG H . . 4.840 4.552 4.031 4.820 . 0 0 "[ . 1 . 2]" 1
54 1 111 THR HA 1 112 ARG H . . 2.930 2.164 2.150 2.191 . 0 0 "[ . 1 . 2]" 1
55 1 112 ARG H 1 112 ARG QB . . 3.170 2.389 2.156 2.961 . 0 0 "[ . 1 . 2]" 1
56 1 112 ARG H 1 112 ARG HG2 . . 4.260 3.012 1.828 4.060 . 0 0 "[ . 1 . 2]" 1
57 1 112 ARG H 1 112 ARG HG3 . . 4.260 2.898 2.172 3.728 . 0 0 "[ . 1 . 2]" 1
58 1 94 ILE MG 1 112 ARG H . . 5.010 4.226 3.861 4.559 . 0 0 "[ . 1 . 2]" 1
59 1 21 ILE H 1 21 ILE HB . . 3.250 2.488 2.425 2.564 . 0 0 "[ . 1 . 2]" 1
60 1 21 ILE H 1 21 ILE HG12 . . 3.770 3.597 3.389 3.758 . 0 0 "[ . 1 . 2]" 1
61 1 21 ILE H 1 21 ILE HG13 . . 3.770 2.243 2.078 2.399 . 0 0 "[ . 1 . 2]" 1
62 1 21 ILE MG 1 23 GLU H . . 4.470 4.062 3.166 4.355 . 0 0 "[ . 1 . 2]" 1
63 1 23 GLU H 1 23 GLU QB . . 3.120 2.341 2.107 2.652 . 0 0 "[ . 1 . 2]" 1
64 1 49 GLU H 1 50 LEU H . . 4.430 4.335 4.206 4.435 0.005 4 0 "[ . 1 . 2]" 1
65 1 49 GLU HA 1 50 LEU H . . 3.160 2.172 2.141 2.268 . 0 0 "[ . 1 . 2]" 1
66 1 49 GLU HG2 1 50 LEU H . . 4.410 3.565 2.040 4.435 0.025 13 0 "[ . 1 . 2]" 1
67 1 49 GLU HG3 1 50 LEU H . . 4.410 3.251 2.490 4.401 . 0 0 "[ . 1 . 2]" 1
68 1 50 LEU H 1 50 LEU HB2 . . 3.670 2.722 2.538 3.073 . 0 0 "[ . 1 . 2]" 1
69 1 50 LEU H 1 50 LEU HB3 . . 3.670 2.666 2.609 2.812 . 0 0 "[ . 1 . 2]" 1
70 1 50 LEU H 1 74 VAL MG1 . . 4.720 4.516 4.271 4.641 . 0 0 "[ . 1 . 2]" 1
71 1 50 LEU H 1 51 GLN H . . 4.670 4.448 4.200 4.575 . 0 0 "[ . 1 . 2]" 1
72 1 22 ARG HD2 1 23 GLU H . . 5.500 4.194 3.699 5.524 0.024 11 0 "[ . 1 . 2]" 1
73 1 50 LEU H 1 77 ILE HG13 . . 4.800 3.922 3.680 4.458 . 0 0 "[ . 1 . 2]" 1
74 1 16 PRO HA 1 101 ASN HD21 . . 4.610 3.679 2.566 4.616 0.006 14 0 "[ . 1 . 2]" 1
75 1 44 SER HB2 1 101 ASN HD22 . . 5.500 5.378 4.031 5.511 0.011 11 0 "[ . 1 . 2]" 1
76 1 101 ASN HD22 1 104 GLY HA3 . . 5.500 5.497 5.455 5.543 0.043 19 0 "[ . 1 . 2]" 1
77 1 35 VAL MG2 1 84 VAL H . . 5.010 4.739 4.526 4.872 . 0 0 "[ . 1 . 2]" 1
78 1 84 VAL H 1 87 LEU MD1 . . 4.790 4.062 3.728 4.443 . 0 0 "[ . 1 . 2]" 1
79 1 35 VAL H 1 84 VAL H . . 4.470 4.421 4.226 4.473 0.003 3 0 "[ . 1 . 2]" 1
80 1 84 VAL H 1 84 VAL HB . . 3.530 2.513 2.439 2.562 . 0 0 "[ . 1 . 2]" 1
81 1 33 ILE HB 1 84 VAL H . . 4.840 4.058 3.860 4.189 . 0 0 "[ . 1 . 2]" 1
82 1 83 THR MG 1 84 VAL H . . 3.530 2.910 2.655 3.026 . 0 0 "[ . 1 . 2]" 1
83 1 35 VAL H 1 35 VAL HB . . 3.630 2.543 2.494 2.591 . 0 0 "[ . 1 . 2]" 1
84 1 34 THR MG 1 35 VAL H . . 3.360 2.963 2.610 3.231 . 0 0 "[ . 1 . 2]" 1
85 1 82 TYR QD 1 84 VAL H . . 4.620 3.270 3.075 3.598 . 0 0 "[ . 1 . 2]" 1
86 1 32 THR HA 1 84 VAL H . . 5.100 4.847 4.703 5.050 . 0 0 "[ . 1 . 2]" 1
87 1 83 THR HB 1 84 VAL H . . 4.700 4.300 4.226 4.397 . 0 0 "[ . 1 . 2]" 1
88 1 35 VAL H 1 81 HIS HA . . 4.790 4.478 4.321 4.683 . 0 0 "[ . 1 . 2]" 1
89 1 51 GLN HE21 1 98 LYS QB . . 4.660 3.508 2.471 4.498 . 0 0 "[ . 1 . 2]" 1
90 1 51 GLN HE22 1 73 ILE MD . . 5.420 4.419 3.104 5.297 . 0 0 "[ . 1 . 2]" 1
91 1 51 GLN HE22 1 98 LYS QB . . 4.660 3.915 2.575 4.660 . 0 0 "[ . 1 . 2]" 1
92 1 15 ALA H 1 16 PRO HD3 . . 5.020 4.750 4.535 4.959 . 0 0 "[ . 1 . 2]" 1
93 1 15 ALA H 1 16 PRO HD2 . . 5.030 4.801 4.756 4.834 . 0 0 "[ . 1 . 2]" 1
94 1 14 THR MG 1 15 ALA H . . 3.110 2.367 1.820 3.198 0.088 3 0 "[ . 1 . 2]" 1
95 1 85 HIS HA 1 86 GLY H . . 3.330 2.245 2.163 2.297 . 0 0 "[ . 1 . 2]" 1
96 1 85 HIS HB3 1 86 GLY H . . 3.480 2.921 2.718 3.272 . 0 0 "[ . 1 . 2]" 1
97 1 86 GLY H 1 87 LEU HG . . 4.590 3.713 3.507 3.926 . 0 0 "[ . 1 . 2]" 1
98 1 32 THR MG 1 86 GLY H . . 4.000 3.480 2.789 4.007 0.007 19 0 "[ . 1 . 2]" 1
99 1 96 ILE H 1 97 VAL H . . 4.590 3.951 3.878 4.081 . 0 0 "[ . 1 . 2]" 1
100 1 97 VAL H 1 98 LYS H . . 5.170 4.530 4.441 4.585 . 0 0 "[ . 1 . 2]" 1
101 1 97 VAL H 1 108 SER HB3 . . 4.560 3.412 2.683 4.339 . 0 0 "[ . 1 . 2]" 1
102 1 96 ILE HA 1 97 VAL H . . 3.080 2.158 2.148 2.167 . 0 0 "[ . 1 . 2]" 1
103 1 97 VAL H 1 108 SER HB2 . . 4.560 4.209 3.577 4.559 . 0 0 "[ . 1 . 2]" 1
104 1 97 VAL H 1 97 VAL HB . . 3.750 2.427 2.391 2.469 . 0 0 "[ . 1 . 2]" 1
105 1 94 ILE H 1 113 LEU H . . 5.290 4.676 4.498 4.893 . 0 0 "[ . 1 . 2]" 1
106 1 95 PHE H 1 113 LEU H . . 5.500 4.647 4.239 4.979 . 0 0 "[ . 1 . 2]" 1
107 1 95 PHE QE 1 113 LEU H . . 4.590 4.401 4.044 4.589 . 0 0 "[ . 1 . 2]" 1
108 1 112 ARG HA 1 113 LEU H . . 2.970 2.166 2.141 2.217 . 0 0 "[ . 1 . 2]" 1
109 1 112 ARG QB 1 113 LEU H . . 3.570 3.161 2.964 3.360 . 0 0 "[ . 1 . 2]" 1
110 1 113 LEU H 1 113 LEU HG . . 3.790 3.092 2.916 3.255 . 0 0 "[ . 1 . 2]" 1
111 1 111 THR MG 1 113 LEU H . . 4.550 4.470 4.278 4.565 0.015 13 0 "[ . 1 . 2]" 1
112 1 93 TYR H 1 113 LEU H . . 3.860 2.786 2.301 3.008 . 0 0 "[ . 1 . 2]" 1
113 1 113 LEU H 1 113 LEU MD2 . . 4.000 3.898 3.772 4.010 0.010 15 0 "[ . 1 . 2]" 1
114 1 95 PHE QD 1 113 LEU H . . 4.380 3.979 3.718 4.332 . 0 0 "[ . 1 . 2]" 1
115 1 113 LEU H 1 113 LEU MD1 . . 4.420 4.129 3.842 4.277 . 0 0 "[ . 1 . 2]" 1
116 1 92 ARG H 1 93 TYR H . . 4.620 4.605 4.555 4.625 0.005 11 0 "[ . 1 . 2]" 1
117 1 91 THR HA 1 92 ARG H . . 2.870 2.229 2.189 2.284 . 0 0 "[ . 1 . 2]" 1
118 1 92 ARG H 1 92 ARG HB2 . . 3.520 2.291 2.203 2.418 . 0 0 "[ . 1 . 2]" 1
119 1 92 ARG H 1 92 ARG HG3 . . 3.950 2.775 2.535 2.958 . 0 0 "[ . 1 . 2]" 1
120 1 92 ARG H 1 92 ARG HG2 . . 3.950 3.557 3.161 3.950 0.000 5 0 "[ . 1 . 2]" 1
121 1 54 ILE H 1 94 ILE H . . 5.500 5.340 5.049 5.459 . 0 0 "[ . 1 . 2]" 1
122 1 54 ILE H 1 55 PHE H . . 4.720 4.484 4.366 4.584 . 0 0 "[ . 1 . 2]" 1
123 1 53 THR H 1 54 ILE H . . 4.580 4.290 4.229 4.356 . 0 0 "[ . 1 . 2]" 1
124 1 54 ILE H 1 93 TYR QE . . 4.350 3.961 3.431 4.295 . 0 0 "[ . 1 . 2]" 1
125 1 53 THR HG1 1 54 ILE H . . 4.290 3.292 2.066 3.845 . 0 0 "[ . 1 . 2]" 1
126 1 53 THR HA 1 54 ILE H . . 3.030 2.248 2.200 2.327 . 0 0 "[ . 1 . 2]" 1
127 1 53 THR HB 1 54 ILE H . . 4.210 4.064 3.902 4.147 . 0 0 "[ . 1 . 2]" 1
128 1 54 ILE H 1 54 ILE HB . . 2.990 2.431 2.346 2.520 . 0 0 "[ . 1 . 2]" 1
129 1 54 ILE H 1 54 ILE HG13 . . 3.430 2.382 2.128 2.589 . 0 0 "[ . 1 . 2]" 1
130 1 54 ILE H 1 54 ILE MD . . 3.660 3.342 3.220 3.580 . 0 0 "[ . 1 . 2]" 1
131 1 54 ILE H 1 54 ILE HG12 . . 3.940 3.788 3.592 3.941 0.001 6 0 "[ . 1 . 2]" 1
132 1 53 THR MG 1 54 ILE H . . 3.720 3.556 3.280 3.749 0.029 19 0 "[ . 1 . 2]" 1
133 1 91 THR HB 1 92 ARG H . . 4.420 3.951 3.821 4.123 . 0 0 "[ . 1 . 2]" 1
134 1 92 ARG H 1 92 ARG HD3 . . 5.440 5.146 4.972 5.278 . 0 0 "[ . 1 . 2]" 1
135 1 34 THR H 1 34 THR MG . . 3.930 3.869 3.827 3.889 . 0 0 "[ . 1 . 2]" 1
136 1 29 SER H 1 34 THR H . . 4.850 4.786 4.530 4.877 0.027 15 0 "[ . 1 . 2]" 1
137 1 34 THR H 1 35 VAL H . . 4.350 4.237 4.113 4.355 0.005 3 0 "[ . 1 . 2]" 1
138 1 28 ALA HA 1 34 THR H . . 3.740 3.687 3.471 3.741 0.001 7 0 "[ . 1 . 2]" 1
139 1 33 ILE HA 1 34 THR H . . 3.120 2.170 2.147 2.195 . 0 0 "[ . 1 . 2]" 1
140 1 34 THR H 1 34 THR HB . . 3.520 2.702 2.585 2.780 . 0 0 "[ . 1 . 2]" 1
141 1 33 ILE HG13 1 34 THR H . . 5.090 4.992 4.897 5.089 . 0 0 "[ . 1 . 2]" 1
142 1 33 ILE HB 1 34 THR H . . 4.250 4.151 4.045 4.248 . 0 0 "[ . 1 . 2]" 1
143 1 33 ILE MD 1 34 THR H . . 5.080 4.938 4.780 5.064 . 0 0 "[ . 1 . 2]" 1
144 1 33 ILE H 1 34 THR H . . 4.630 4.209 4.100 4.346 . 0 0 "[ . 1 . 2]" 1
145 1 37 TRP HE1 1 48 TYR HB3 . . 4.710 4.344 4.110 4.685 . 0 0 "[ . 1 . 2]" 1
146 1 101 ASN H 1 104 GLY H . . 3.510 3.362 3.090 3.527 0.017 16 0 "[ . 1 . 2]" 1
147 1 102 GLN H 1 104 GLY H . . 5.190 4.891 4.557 5.107 . 0 0 "[ . 1 . 2]" 1
148 1 102 GLN QB 1 104 GLY H . . 5.500 5.493 5.422 5.529 0.029 6 0 "[ . 1 . 2]" 1
149 1 103 ALA MB 1 104 GLY H . . 3.150 2.070 1.883 2.276 . 0 0 "[ . 1 . 2]" 1
150 1 100 ILE MG 1 104 GLY H . . 4.880 4.738 4.378 4.897 0.017 19 0 "[ . 1 . 2]" 1
151 1 101 ASN HD22 1 104 GLY H . . 4.880 3.136 3.034 3.243 . 0 0 "[ . 1 . 2]" 1
152 1 16 PRO HD3 1 104 GLY H . . 4.260 2.371 2.063 2.796 . 0 0 "[ . 1 . 2]" 1
153 1 16 PRO HD2 1 104 GLY H . . 4.630 3.746 3.398 4.100 . 0 0 "[ . 1 . 2]" 1
154 1 51 GLN H 1 95 PHE QD . . 4.760 4.454 4.080 4.764 0.004 14 0 "[ . 1 . 2]" 1
155 1 25 LEU MD1 1 36 HIS H . . 5.500 5.134 4.947 5.244 . 0 0 "[ . 1 . 2]" 1
156 1 36 HIS H 1 113 LEU MD1 . . 5.500 4.895 4.563 5.126 . 0 0 "[ . 1 . 2]" 1
157 1 35 VAL H 1 36 HIS H . . 4.600 4.454 4.322 4.550 . 0 0 "[ . 1 . 2]" 1
158 1 35 VAL HA 1 36 HIS H . . 3.060 2.158 2.141 2.188 . 0 0 "[ . 1 . 2]" 1
159 1 36 HIS H 1 36 HIS HB3 . . 3.940 3.694 3.556 3.756 . 0 0 "[ . 1 . 2]" 1
160 1 36 HIS H 1 36 HIS HB2 . . 3.770 2.522 2.285 2.639 . 0 0 "[ . 1 . 2]" 1
161 1 35 VAL MG2 1 36 HIS H . . 4.210 4.031 3.962 4.172 . 0 0 "[ . 1 . 2]" 1
162 1 51 GLN H 1 97 VAL HA . . 4.190 3.509 3.237 3.757 . 0 0 "[ . 1 . 2]" 1
163 1 51 GLN H 1 51 GLN QG . . 3.610 2.902 2.416 3.123 . 0 0 "[ . 1 . 2]" 1
164 1 50 LEU HG 1 51 GLN H . . 3.860 2.722 2.191 3.147 . 0 0 "[ . 1 . 2]" 1
165 1 51 GLN H 1 97 VAL MG2 . . 4.840 3.930 3.663 4.223 . 0 0 "[ . 1 . 2]" 1
166 1 51 GLN H 1 96 ILE HB . . 4.730 4.283 4.013 4.647 . 0 0 "[ . 1 . 2]" 1
167 1 51 GLN H 1 73 ILE MG . . 5.500 5.131 4.229 5.454 . 0 0 "[ . 1 . 2]" 1
168 1 51 GLN H 1 96 ILE MG . . 5.500 4.568 4.145 4.965 . 0 0 "[ . 1 . 2]" 1
169 1 106 ARG HA 1 107 ASN H . . 3.120 2.154 2.141 2.257 . 0 0 "[ . 1 . 2]" 1
170 1 106 ARG HG3 1 107 ASN H . . 3.860 3.183 2.122 3.585 . 0 0 "[ . 1 . 2]" 1
171 1 106 ARG HB3 1 107 ASN H . . 4.460 4.247 3.779 4.356 . 0 0 "[ . 1 . 2]" 1
172 1 96 ILE MG 1 107 ASN H . . 5.500 5.411 5.120 5.513 0.013 12 0 "[ . 1 . 2]" 1
173 1 82 TYR H 1 83 THR H . . 4.360 4.318 4.228 4.366 0.006 19 0 "[ . 1 . 2]" 1
174 1 82 TYR HB2 1 83 THR H . . 4.480 4.281 4.193 4.370 . 0 0 "[ . 1 . 2]" 1
175 1 83 THR H 1 84 VAL H . . 4.430 4.356 4.280 4.427 . 0 0 "[ . 1 . 2]" 1
176 1 82 TYR QD 1 83 THR H . . 3.800 3.368 3.182 3.710 . 0 0 "[ . 1 . 2]" 1
177 1 82 TYR HA 1 83 THR H . . 2.860 2.142 2.137 2.161 . 0 0 "[ . 1 . 2]" 1
178 1 83 THR H 1 83 THR HB . . 3.110 2.609 2.470 2.675 . 0 0 "[ . 1 . 2]" 1
179 1 34 THR MG 1 83 THR H . . 4.280 3.810 3.606 3.997 . 0 0 "[ . 1 . 2]" 1
180 1 81 HIS HD2 1 83 THR H . . 5.100 4.916 4.623 5.100 . 0 0 "[ . 1 . 2]" 1
181 1 82 TYR HB3 1 83 THR H . . 4.410 4.252 4.136 4.356 . 0 0 "[ . 1 . 2]" 1
182 1 39 SER HA 1 40 ASP H . . 3.240 2.264 2.138 2.359 . 0 0 "[ . 1 . 2]" 1
183 1 40 ASP H 1 40 ASP QB . . 3.570 2.399 2.176 3.007 . 0 0 "[ . 1 . 2]" 1
184 1 71 TRP H 1 71 TRP HE1 . . 5.020 4.490 4.382 4.638 . 0 0 "[ . 1 . 2]" 1
185 1 71 TRP H 1 72 MET H . . 4.660 4.625 4.547 4.651 . 0 0 "[ . 1 . 2]" 1
186 1 71 TRP H 1 71 TRP HD1 . . 3.410 1.963 1.861 2.091 . 0 0 "[ . 1 . 2]" 1
187 1 70 SER HA 1 71 TRP H . . 3.530 3.515 3.472 3.543 0.013 19 0 "[ . 1 . 2]" 1
188 1 70 SER HB2 1 71 TRP H . . 4.310 3.412 2.623 4.152 . 0 0 "[ . 1 . 2]" 1
189 1 70 SER HB3 1 71 TRP H . . 4.310 3.123 2.567 3.756 . 0 0 "[ . 1 . 2]" 1
190 1 68 VAL HA 1 71 TRP H . . 4.370 3.060 2.876 3.391 . 0 0 "[ . 1 . 2]" 1
191 1 71 TRP H 1 71 TRP QB . . 3.090 2.416 2.342 2.482 . 0 0 "[ . 1 . 2]" 1
192 1 68 VAL MG1 1 71 TRP H . . 5.500 4.339 3.339 5.234 . 0 0 "[ . 1 . 2]" 1
193 1 68 VAL MG2 1 71 TRP H . . 5.500 4.216 3.394 5.270 . 0 0 "[ . 1 . 2]" 1
194 1 101 ASN H 1 103 ALA H . . 4.430 4.385 4.194 4.480 0.050 19 0 "[ . 1 . 2]" 1
195 1 16 PRO HD2 1 101 ASN H . . 5.350 5.105 4.752 5.304 . 0 0 "[ . 1 . 2]" 1
196 1 100 ILE H 1 101 ASN H . . 4.890 4.433 4.343 4.543 . 0 0 "[ . 1 . 2]" 1
197 1 101 ASN H 1 105 SER HA . . 3.940 3.529 3.398 3.703 . 0 0 "[ . 1 . 2]" 1
198 1 100 ILE HA 1 101 ASN H . . 2.960 2.191 2.147 2.238 . 0 0 "[ . 1 . 2]" 1
199 1 16 PRO HD3 1 101 ASN H . . 4.340 3.949 3.621 4.302 . 0 0 "[ . 1 . 2]" 1
200 1 100 ILE HB 1 101 ASN H . . 4.100 4.024 3.860 4.129 0.029 17 0 "[ . 1 . 2]" 1
201 1 100 ILE HG12 1 101 ASN H . . 5.060 4.698 4.272 5.084 0.024 17 0 "[ . 1 . 2]" 1
202 1 64 LEU H 1 64 LEU HB3 . . 3.320 2.298 2.191 2.455 . 0 0 "[ . 1 . 2]" 1
203 1 64 LEU H 1 64 LEU HB2 . . 3.760 2.765 2.559 2.911 . 0 0 "[ . 1 . 2]" 1
204 1 13 LEU H 1 15 ALA H . . 5.170 4.393 4.041 5.265 0.095 20 0 "[ . 1 . 2]" 1
205 1 12 TYR QD 1 13 LEU H . . 4.480 2.657 1.883 3.511 . 0 0 "[ . 1 . 2]" 1
206 1 12 TYR HA 1 13 LEU H . . 2.820 2.302 2.172 2.739 . 0 0 "[ . 1 . 2]" 1
207 1 13 LEU H 1 13 LEU QB . . 2.770 2.468 2.166 2.771 0.001 16 0 "[ . 1 . 2]" 1
208 1 13 LEU H 1 14 THR MG . . 4.290 3.315 2.595 4.353 0.063 20 0 "[ . 1 . 2]" 1
209 1 13 LEU H 1 13 LEU MD2 . . 4.520 4.105 1.938 4.610 0.090 4 0 "[ . 1 . 2]" 1
210 1 52 TYR H 1 72 MET H . . 3.810 3.395 3.026 3.790 . 0 0 "[ . 1 . 2]" 1
211 1 72 MET H 1 72 MET HG3 . . 4.660 3.613 2.923 4.256 . 0 0 "[ . 1 . 2]" 1
212 1 72 MET H 1 72 MET HB2 . . 3.770 2.348 2.207 3.659 . 0 0 "[ . 1 . 2]" 1
213 1 72 MET H 1 72 MET HB3 . . 3.770 3.453 2.579 3.624 . 0 0 "[ . 1 . 2]" 1
214 1 72 MET H 1 73 ILE H . . 4.710 4.523 4.408 4.598 . 0 0 "[ . 1 . 2]" 1
215 1 42 GLU HA 1 45 ILE H . . 4.180 3.186 2.722 3.488 . 0 0 "[ . 1 . 2]" 1
216 1 45 ILE H 1 45 ILE HB . . 3.220 2.624 2.508 2.675 . 0 0 "[ . 1 . 2]" 1
217 1 45 ILE H 1 45 ILE HG13 . . 3.920 1.969 1.902 2.149 . 0 0 "[ . 1 . 2]" 1
218 1 45 ILE H 1 45 ILE MG . . 3.900 3.767 3.762 3.781 . 0 0 "[ . 1 . 2]" 1
219 1 45 ILE HA 1 46 SER H . . 3.220 2.146 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
220 1 46 SER H 1 101 ASN HB2 . . 4.280 3.536 3.212 3.794 . 0 0 "[ . 1 . 2]" 1
221 1 46 SER H 1 101 ASN HB3 . . 4.060 3.152 2.850 3.488 . 0 0 "[ . 1 . 2]" 1
222 1 45 ILE HB 1 46 SER H . . 4.490 4.248 4.025 4.350 . 0 0 "[ . 1 . 2]" 1
223 1 46 SER H 1 100 ILE HB . . 5.120 4.879 4.567 5.093 . 0 0 "[ . 1 . 2]" 1
224 1 45 ILE H 1 46 SER H . . 4.800 4.485 4.414 4.594 . 0 0 "[ . 1 . 2]" 1
225 1 51 GLN HA 1 72 MET H . . 5.010 4.564 4.171 5.004 . 0 0 "[ . 1 . 2]" 1
226 1 71 TRP HE3 1 72 MET H . . 4.330 4.058 3.788 4.341 0.011 12 0 "[ . 1 . 2]" 1
227 1 71 TRP HA 1 72 MET H . . 3.050 2.275 2.163 2.404 . 0 0 "[ . 1 . 2]" 1
228 1 71 TRP QB 1 72 MET H . . 3.330 2.765 2.408 3.149 . 0 0 "[ . 1 . 2]" 1
229 1 53 THR MG 1 72 MET H . . 5.100 4.851 4.481 5.102 0.002 6 0 "[ . 1 . 2]" 1
230 1 53 THR HG1 1 72 MET H . . 5.500 4.631 4.016 5.265 . 0 0 "[ . 1 . 2]" 1
231 1 72 MET H 1 73 ILE HA . . 5.500 5.200 5.017 5.344 . 0 0 "[ . 1 . 2]" 1
232 1 28 ALA H 1 29 SER H . . 4.420 4.398 4.302 4.459 0.039 8 0 "[ . 1 . 2]" 1
233 1 27 THR HB 1 28 ALA H . . 3.170 2.690 2.354 3.035 . 0 0 "[ . 1 . 2]" 1
234 1 28 ALA H 1 28 ALA MB . . 3.350 2.443 2.350 2.573 . 0 0 "[ . 1 . 2]" 1
235 1 27 THR MG 1 28 ALA H . . 3.860 3.826 3.745 3.868 0.008 2 0 "[ . 1 . 2]" 1
236 1 84 VAL H 1 85 HIS H . . 4.800 4.444 4.286 4.558 . 0 0 "[ . 1 . 2]" 1
237 1 85 HIS H 1 85 HIS HD2 . . 3.890 3.080 2.686 3.348 . 0 0 "[ . 1 . 2]" 1
238 1 85 HIS H 1 85 HIS HB3 . . 3.900 3.621 3.540 3.712 . 0 0 "[ . 1 . 2]" 1
239 1 85 HIS H 1 85 HIS HB2 . . 3.420 2.394 2.284 2.525 . 0 0 "[ . 1 . 2]" 1
240 1 84 VAL HB 1 85 HIS H . . 4.440 4.249 4.104 4.372 . 0 0 "[ . 1 . 2]" 1
241 1 84 VAL MG2 1 85 HIS H . . 4.880 4.084 3.914 4.204 . 0 0 "[ . 1 . 2]" 1
242 1 83 THR MG 1 85 HIS H . . 4.840 4.440 3.967 4.831 . 0 0 "[ . 1 . 2]" 1
243 1 85 HIS H 1 86 GLY H . . 4.710 4.517 4.367 4.573 . 0 0 "[ . 1 . 2]" 1
244 1 82 TYR QE 1 85 HIS H . . 4.130 3.563 3.378 3.842 . 0 0 "[ . 1 . 2]" 1
245 1 84 VAL HA 1 85 HIS H . . 2.840 2.152 2.140 2.180 . 0 0 "[ . 1 . 2]" 1
246 1 45 ILE H 1 45 ILE HG12 . . 3.890 3.211 2.999 3.499 . 0 0 "[ . 1 . 2]" 1
247 1 93 TYR H 1 94 ILE H . . 4.320 4.086 3.998 4.196 . 0 0 "[ . 1 . 2]" 1
248 1 93 TYR H 1 93 TYR QD . . 3.890 3.636 3.508 3.783 . 0 0 "[ . 1 . 2]" 1
249 1 93 TYR H 1 114 LYS HA . . 3.820 3.496 3.327 3.799 . 0 0 "[ . 1 . 2]" 1
250 1 93 TYR H 1 93 TYR HB2 . . 4.160 2.707 2.571 2.850 . 0 0 "[ . 1 . 2]" 1
251 1 93 TYR H 1 93 TYR HB3 . . 4.160 3.725 3.638 3.818 . 0 0 "[ . 1 . 2]" 1
252 1 92 ARG HB3 1 93 TYR H . . 3.830 2.949 2.637 3.245 . 0 0 "[ . 1 . 2]" 1
253 1 93 TYR H 1 114 LYS HG2 . . 4.760 4.072 3.520 4.759 . 0 0 "[ . 1 . 2]" 1
254 1 93 TYR H 1 94 ILE HG12 . . 5.500 5.213 4.920 5.451 . 0 0 "[ . 1 . 2]" 1
255 1 93 TYR H 1 114 LYS HG3 . . 5.500 4.823 4.125 5.516 0.016 15 0 "[ . 1 . 2]" 1
256 1 92 ARG HB2 1 93 TYR H . . 4.470 4.112 3.825 4.311 . 0 0 "[ . 1 . 2]" 1
257 1 95 PHE H 1 113 LEU HG . . 4.670 4.178 3.594 4.571 . 0 0 "[ . 1 . 2]" 1
258 1 94 ILE HB 1 95 PHE H . . 4.420 4.105 3.854 4.357 . 0 0 "[ . 1 . 2]" 1
259 1 95 PHE H 1 110 PRO HA . . 4.800 4.275 3.910 4.642 . 0 0 "[ . 1 . 2]" 1
260 1 94 ILE MD 1 95 PHE H . . 5.230 4.903 4.517 5.186 . 0 0 "[ . 1 . 2]" 1
261 1 95 PHE H 1 111 THR H . . 3.800 2.859 2.480 3.304 . 0 0 "[ . 1 . 2]" 1
262 1 95 PHE H 1 95 PHE QD . . 3.940 2.811 2.452 3.225 . 0 0 "[ . 1 . 2]" 1
263 1 94 ILE HA 1 95 PHE H . . 3.220 2.187 2.140 2.319 . 0 0 "[ . 1 . 2]" 1
264 1 95 PHE H 1 95 PHE HB2 . . 3.910 2.585 2.388 2.765 . 0 0 "[ . 1 . 2]" 1
265 1 95 PHE H 1 95 PHE HB3 . . 4.020 3.746 3.626 3.849 . 0 0 "[ . 1 . 2]" 1
266 1 94 ILE HG12 1 95 PHE H . . 4.340 4.215 3.852 4.371 0.031 13 0 "[ . 1 . 2]" 1
267 1 68 VAL H 1 68 VAL HB . . 4.010 2.623 2.236 3.645 . 0 0 "[ . 1 . 2]" 1
268 1 68 VAL H 1 68 VAL MG1 . . 3.660 2.910 2.013 3.776 0.116 12 0 "[ . 1 . 2]" 1
269 1 68 VAL H 1 68 VAL MG2 . . 3.660 3.042 2.123 3.778 0.118 13 0 "[ . 1 . 2]" 1
270 1 67 SER QB 1 68 VAL H . . 3.890 3.848 2.736 4.008 0.118 16 0 "[ . 1 . 2]" 1
271 1 99 ALA H 1 100 ILE H . . 5.340 4.493 4.289 4.616 . 0 0 "[ . 1 . 2]" 1
272 1 48 TYR HD1 1 100 ILE H . . 4.730 4.468 4.277 4.651 . 0 0 "[ . 1 . 2]" 1
273 1 48 TYR HA 1 100 ILE H . . 4.090 3.147 2.949 3.390 . 0 0 "[ . 1 . 2]" 1
274 1 99 ALA MB 1 100 ILE H . . 3.750 3.105 2.797 3.371 . 0 0 "[ . 1 . 2]" 1
275 1 45 ILE MD 1 100 ILE H . . 4.400 4.102 3.738 4.406 0.006 8 0 "[ . 1 . 2]" 1
276 1 68 VAL H 1 69 ASP H . . 3.590 2.939 2.660 3.642 0.052 12 0 "[ . 1 . 2]" 1
277 1 117 SER HB3 1 118 GLN H . . 4.260 2.852 1.889 3.670 . 0 0 "[ . 1 . 2]" 1
278 1 117 SER HB2 1 118 GLN H . . 4.260 2.863 1.979 3.834 . 0 0 "[ . 1 . 2]" 1
279 1 118 GLN H 1 118 GLN QG . . 4.440 3.767 2.678 4.166 . 0 0 "[ . 1 . 2]" 1
280 1 47 SER H 1 100 ILE H . . 4.150 3.784 3.571 3.990 . 0 0 "[ . 1 . 2]" 1
281 1 100 ILE H 1 100 ILE HB . . 3.420 2.651 2.546 2.773 . 0 0 "[ . 1 . 2]" 1
282 1 100 ILE H 1 100 ILE HG12 . . 4.340 4.201 3.980 4.359 0.019 19 0 "[ . 1 . 2]" 1
283 1 38 ILE H 1 39 SER H . . 4.800 4.459 4.381 4.551 . 0 0 "[ . 1 . 2]" 1
284 1 39 SER H 1 40 ASP H . . 5.140 4.392 4.175 4.444 . 0 0 "[ . 1 . 2]" 1
285 1 39 SER H 1 39 SER HB2 . . 3.960 3.340 2.647 3.837 . 0 0 "[ . 1 . 2]" 1
286 1 38 ILE HG13 1 39 SER H . . 4.220 2.393 1.944 3.722 . 0 0 "[ . 1 . 2]" 1
287 1 38 ILE MD 1 39 SER H . . 3.650 2.894 2.582 3.670 0.020 9 0 "[ . 1 . 2]" 1
288 1 10 LEU H 1 11 ASP H . . 4.410 4.117 2.018 4.452 0.042 7 0 "[ . 1 . 2]" 1
289 1 9 GLY QA 1 10 LEU H . . 3.140 2.231 2.111 2.725 . 0 0 "[ . 1 . 2]" 1
290 1 10 LEU H 1 10 LEU MD1 . . 4.860 3.723 2.363 4.360 . 0 0 "[ . 1 . 2]" 1
291 1 10 LEU H 1 10 LEU MD2 . . 4.860 3.241 1.867 4.510 . 0 0 "[ . 1 . 2]" 1
292 1 120 PHE H 1 120 PHE QB . . 3.510 2.289 2.136 2.607 . 0 0 "[ . 1 . 2]" 1
293 1 119 PRO HB2 1 120 PHE H . . 4.350 2.951 1.927 3.938 . 0 0 "[ . 1 . 2]" 1
294 1 119 PRO HB3 1 120 PHE H . . 4.440 3.810 3.155 4.489 0.049 5 0 "[ . 1 . 2]" 1
295 1 33 ILE H 1 85 HIS HD2 . . 5.470 4.873 4.069 5.429 . 0 0 "[ . 1 . 2]" 1
296 1 48 TYR HB2 1 77 ILE H . . 4.640 4.471 4.245 4.646 0.006 6 0 "[ . 1 . 2]" 1
297 1 77 ILE H 1 77 ILE HB . . 3.400 2.630 2.579 2.676 . 0 0 "[ . 1 . 2]" 1
298 1 77 ILE H 1 77 ILE HG12 . . 3.820 3.646 3.456 3.808 . 0 0 "[ . 1 . 2]" 1
299 1 77 ILE H 1 77 ILE MD . . 4.360 3.997 3.821 4.188 . 0 0 "[ . 1 . 2]" 1
300 1 47 SER HA 1 77 ILE H . . 5.030 4.667 3.966 4.937 . 0 0 "[ . 1 . 2]" 1
301 1 73 ILE H 1 74 VAL H . . 4.740 4.419 4.306 4.527 . 0 0 "[ . 1 . 2]" 1
302 1 72 MET HA 1 73 ILE H . . 2.820 2.211 2.144 2.326 . 0 0 "[ . 1 . 2]" 1
303 1 72 MET HG3 1 73 ILE H . . 4.620 3.984 3.244 4.642 0.022 12 0 "[ . 1 . 2]" 1
304 1 72 MET ME 1 73 ILE H . . 5.500 5.461 5.052 5.533 0.033 14 0 "[ . 1 . 2]" 1
305 1 73 ILE H 1 73 ILE HB . . 3.140 2.734 2.561 2.864 . 0 0 "[ . 1 . 2]" 1
306 1 72 MET HB2 1 73 ILE H . . 4.310 4.178 3.022 4.376 0.066 9 0 "[ . 1 . 2]" 1
307 1 73 ILE H 1 73 ILE MD . . 3.470 2.553 2.112 3.135 . 0 0 "[ . 1 . 2]" 1
308 1 33 ILE H 1 84 VAL H . . 3.830 3.090 2.928 3.263 . 0 0 "[ . 1 . 2]" 1
309 1 32 THR HA 1 33 ILE H . . 3.080 2.286 2.181 2.380 . 0 0 "[ . 1 . 2]" 1
310 1 33 ILE H 1 85 HIS HA . . 4.600 4.240 3.958 4.562 . 0 0 "[ . 1 . 2]" 1
311 1 32 THR HB 1 33 ILE H . . 3.560 3.162 2.543 3.554 . 0 0 "[ . 1 . 2]" 1
312 1 33 ILE H 1 33 ILE HG13 . . 4.680 3.317 3.131 3.444 . 0 0 "[ . 1 . 2]" 1
313 1 33 ILE H 1 33 ILE HB . . 3.660 2.892 2.693 2.990 . 0 0 "[ . 1 . 2]" 1
314 1 32 THR MG 1 33 ILE H . . 3.410 2.664 1.909 3.441 0.031 1 0 "[ . 1 . 2]" 1
315 1 33 ILE H 1 33 ILE MD . . 4.760 4.447 4.255 4.581 . 0 0 "[ . 1 . 2]" 1
316 1 33 ILE H 1 83 THR MG . . 3.920 3.070 2.643 3.313 . 0 0 "[ . 1 . 2]" 1
317 1 33 ILE H 1 87 LEU MD1 . . 3.780 2.555 2.239 3.079 . 0 0 "[ . 1 . 2]" 1
318 1 47 SER HB2 1 77 ILE H . . 4.170 3.056 2.186 3.375 . 0 0 "[ . 1 . 2]" 1
319 1 77 ILE H 1 77 ILE HG13 . . 3.420 2.617 2.359 2.790 . 0 0 "[ . 1 . 2]" 1
320 1 49 GLU HA 1 77 ILE H . . 4.830 4.739 4.499 4.847 0.017 14 0 "[ . 1 . 2]" 1
321 1 99 ALA H 1 106 ARG H . . 3.610 3.194 2.880 3.350 . 0 0 "[ . 1 . 2]" 1
322 1 105 SER HA 1 106 ARG H . . 3.140 2.293 2.212 2.400 . 0 0 "[ . 1 . 2]" 1
323 1 105 SER HB3 1 106 ARG H . . 4.050 3.761 2.807 3.977 . 0 0 "[ . 1 . 2]" 1
324 1 16 PRO HG3 1 106 ARG H . . 4.340 3.344 2.897 3.684 . 0 0 "[ . 1 . 2]" 1
325 1 106 ARG H 1 106 ARG HB2 . . 4.100 3.119 2.928 3.324 . 0 0 "[ . 1 . 2]" 1
326 1 98 LYS HG3 1 106 ARG H . . 4.410 3.010 2.432 3.627 . 0 0 "[ . 1 . 2]" 1
327 1 98 LYS HG2 1 106 ARG H . . 4.410 3.357 3.019 3.818 . 0 0 "[ . 1 . 2]" 1
328 1 114 LYS H 1 114 LYS QE . . 5.500 5.344 5.158 5.508 0.008 3 0 "[ . 1 . 2]" 1
329 1 33 ILE MG 1 114 LYS H . . 5.500 5.222 4.746 5.479 . 0 0 "[ . 1 . 2]" 1
330 1 113 LEU H 1 114 LYS H . . 4.520 4.414 4.315 4.481 . 0 0 "[ . 1 . 2]" 1
331 1 114 LYS H 1 115 THR H . . 4.670 4.379 4.270 4.500 . 0 0 "[ . 1 . 2]" 1
332 1 113 LEU MD2 1 114 LYS H . . 3.450 3.367 3.157 3.458 0.008 13 0 "[ . 1 . 2]" 1
333 1 33 ILE MD 1 114 LYS H . . 4.830 4.374 3.991 4.697 . 0 0 "[ . 1 . 2]" 1
334 1 10 LEU MD1 1 11 ASP H . . 5.500 4.549 2.609 5.487 . 0 0 "[ . 1 . 2]" 1
335 1 41 ASP H 1 42 GLU H . . 3.920 3.847 2.799 3.977 0.057 17 0 "[ . 1 . 2]" 1
336 1 39 SER HA 1 41 ASP H . . 4.210 4.032 3.678 4.211 0.001 9 0 "[ . 1 . 2]" 1
337 1 40 ASP HA 1 41 ASP H . . 3.550 3.465 3.100 3.539 . 0 0 "[ . 1 . 2]" 1
338 1 39 SER HB2 1 41 ASP H . . 4.400 3.642 2.447 4.410 0.010 12 0 "[ . 1 . 2]" 1
339 1 39 SER HB3 1 41 ASP H . . 4.400 3.836 2.568 4.407 0.007 8 0 "[ . 1 . 2]" 1
340 1 40 ASP QB 1 41 ASP H . . 3.890 2.924 2.529 3.907 0.017 13 0 "[ . 1 . 2]" 1
341 1 41 ASP H 1 41 ASP HB2 . . 3.820 2.789 2.490 3.832 0.012 13 0 "[ . 1 . 2]" 1
342 1 41 ASP H 1 41 ASP HB3 . . 3.820 3.683 2.932 3.856 0.036 14 0 "[ . 1 . 2]" 1
343 1 98 LYS HA 1 106 ARG H . . 4.330 4.179 3.787 4.342 0.012 16 0 "[ . 1 . 2]" 1
344 1 18 PRO HA 1 106 ARG H . . 5.500 5.435 5.227 5.515 0.015 10 0 "[ . 1 . 2]" 1
345 1 105 SER HB2 1 106 ARG H . . 4.050 2.941 2.456 3.940 . 0 0 "[ . 1 . 2]" 1
346 1 16 PRO HD2 1 106 ARG H . . 4.500 4.147 3.786 4.503 0.003 4 0 "[ . 1 . 2]" 1
347 1 99 ALA MB 1 106 ARG H . . 3.820 3.468 3.264 3.670 . 0 0 "[ . 1 . 2]" 1
348 1 100 ILE MG 1 106 ARG H . . 5.450 5.366 5.072 5.467 0.017 16 0 "[ . 1 . 2]" 1
349 1 11 ASP H 1 11 ASP HB3 . . 4.150 3.287 2.269 4.090 . 0 0 "[ . 1 . 2]" 1
350 1 68 VAL HA 1 69 ASP H . . 3.550 3.228 2.546 3.522 . 0 0 "[ . 1 . 2]" 1
351 1 69 ASP H 1 69 ASP HB3 . . 3.790 2.935 2.266 3.599 . 0 0 "[ . 1 . 2]" 1
352 1 41 ASP HA 1 42 GLU H . . 3.480 2.220 2.140 2.906 . 0 0 "[ . 1 . 2]" 1
353 1 41 ASP HB3 1 42 GLU H . . 4.970 3.877 3.569 4.122 . 0 0 "[ . 1 . 2]" 1
354 1 42 GLU H 1 42 GLU HG3 . . 3.910 3.206 2.704 3.579 . 0 0 "[ . 1 . 2]" 1
355 1 42 GLU H 1 42 GLU HB3 . . 3.970 2.945 2.624 3.246 . 0 0 "[ . 1 . 2]" 1
356 1 89 SER H 1 115 THR HG1 . . 4.670 4.428 4.161 4.679 0.009 10 0 "[ . 1 . 2]" 1
357 1 102 GLN QB 1 103 ALA H . . 3.670 3.010 2.718 3.467 . 0 0 "[ . 1 . 2]" 1
358 1 103 ALA H 1 103 ALA MB . . 2.870 2.129 2.047 2.239 . 0 0 "[ . 1 . 2]" 1
359 1 101 ASN HB2 1 103 ALA H . . 4.610 3.149 3.061 3.325 . 0 0 "[ . 1 . 2]" 1
360 1 93 TYR QD 1 94 ILE H . . 4.150 3.897 3.777 4.036 . 0 0 "[ . 1 . 2]" 1
361 1 93 TYR HA 1 94 ILE H . . 3.140 2.139 2.137 2.143 . 0 0 "[ . 1 . 2]" 1
362 1 94 ILE H 1 94 ILE MG . . 3.870 3.770 3.727 3.799 . 0 0 "[ . 1 . 2]" 1
363 1 94 ILE H 1 94 ILE MD . . 4.300 3.814 3.645 3.973 . 0 0 "[ . 1 . 2]" 1
364 1 88 GLN HA 1 89 SER H . . 2.850 2.222 2.153 2.353 . 0 0 "[ . 1 . 2]" 1
365 1 89 SER H 1 89 SER HB2 . . 3.750 3.342 2.676 3.639 . 0 0 "[ . 1 . 2]" 1
366 1 89 SER H 1 89 SER HB3 . . 3.750 2.973 2.496 3.622 . 0 0 "[ . 1 . 2]" 1
367 1 88 GLN HB3 1 89 SER H . . 3.650 2.955 2.557 3.305 . 0 0 "[ . 1 . 2]" 1
368 1 88 GLN HB2 1 89 SER H . . 4.070 3.955 3.669 4.071 0.001 16 0 "[ . 1 . 2]" 1
369 1 88 GLN H 1 89 SER H . . 4.640 4.507 4.455 4.576 . 0 0 "[ . 1 . 2]" 1
370 1 61 PHE HB3 1 62 ILE H . . 3.680 2.554 2.033 3.039 . 0 0 "[ . 1 . 2]" 1
371 1 62 ILE H 1 62 ILE HB . . 3.100 2.625 2.527 2.772 . 0 0 "[ . 1 . 2]" 1
372 1 62 ILE H 1 62 ILE HG12 . . 3.520 2.030 1.897 2.225 . 0 0 "[ . 1 . 2]" 1
373 1 62 ILE H 1 62 ILE MD . . 3.420 3.031 2.405 3.404 . 0 0 "[ . 1 . 2]" 1
374 1 61 PHE QD 1 62 ILE H . . 4.310 3.516 2.839 4.098 . 0 0 "[ . 1 . 2]" 1
375 1 52 TYR HA 1 94 ILE H . . 4.920 4.665 4.419 4.828 . 0 0 "[ . 1 . 2]" 1
376 1 95 PHE H 1 96 ILE H . . 4.580 4.419 4.345 4.519 . 0 0 "[ . 1 . 2]" 1
377 1 21 ILE MD 1 96 ILE H . . 4.300 4.022 3.728 4.263 . 0 0 "[ . 1 . 2]" 1
378 1 50 LEU MD1 1 96 ILE H . . 4.580 3.948 3.548 4.190 . 0 0 "[ . 1 . 2]" 1
379 1 71 TRP HZ3 1 96 ILE H . . 4.500 3.877 3.612 4.235 . 0 0 "[ . 1 . 2]" 1
380 1 51 GLN HB3 1 96 ILE H . . 4.420 4.357 4.145 4.462 0.042 11 0 "[ . 1 . 2]" 1
381 1 95 PHE QD 1 96 ILE H . . 4.310 3.957 3.794 4.250 . 0 0 "[ . 1 . 2]" 1
382 1 52 TYR HA 1 96 ILE H . . 4.250 3.833 3.608 4.101 . 0 0 "[ . 1 . 2]" 1
383 1 95 PHE HA 1 96 ILE H . . 3.090 2.201 2.161 2.247 . 0 0 "[ . 1 . 2]" 1
384 1 95 PHE HB3 1 96 ILE H . . 3.910 3.036 2.854 3.222 . 0 0 "[ . 1 . 2]" 1
385 1 51 GLN HB2 1 96 ILE H . . 4.390 3.046 2.717 3.257 . 0 0 "[ . 1 . 2]" 1
386 1 96 ILE H 1 96 ILE HB . . 3.660 2.755 2.664 2.854 . 0 0 "[ . 1 . 2]" 1
387 1 96 ILE H 1 96 ILE MG . . 3.920 3.825 3.766 3.881 . 0 0 "[ . 1 . 2]" 1
388 1 95 PHE HB2 1 96 ILE H . . 4.250 4.102 3.991 4.236 . 0 0 "[ . 1 . 2]" 1
389 1 17 ASN H 1 18 PRO HD2 . . 5.080 4.774 4.729 4.814 . 0 0 "[ . 1 . 2]" 1
390 1 17 ASN H 1 17 ASN HB2 . . 3.990 2.927 2.281 3.607 . 0 0 "[ . 1 . 2]" 1
391 1 17 ASN H 1 17 ASN HB3 . . 3.990 3.003 2.207 3.596 . 0 0 "[ . 1 . 2]" 1
392 1 17 ASN H 1 99 ALA MB . . 4.880 4.598 4.309 4.862 . 0 0 "[ . 1 . 2]" 1
393 1 109 GLU H 1 109 GLU HB3 . . 3.650 3.457 2.464 3.592 . 0 0 "[ . 1 . 2]" 1
394 1 64 LEU H 1 65 TYR H . . 3.830 2.758 2.469 3.020 . 0 0 "[ . 1 . 2]" 1
395 1 65 TYR H 1 66 ASN H . . 3.960 2.730 2.465 2.890 . 0 0 "[ . 1 . 2]" 1
396 1 65 TYR H 1 65 TYR QD . . 4.180 4.061 3.852 4.181 0.001 3 0 "[ . 1 . 2]" 1
397 1 65 TYR H 1 65 TYR HB2 . . 3.470 2.331 2.187 2.514 . 0 0 "[ . 1 . 2]" 1
398 1 64 LEU HB3 1 65 TYR H . . 3.690 2.409 2.184 2.701 . 0 0 "[ . 1 . 2]" 1
399 1 62 ILE HA 1 65 TYR H . . 4.480 3.707 3.281 4.010 . 0 0 "[ . 1 . 2]" 1
400 1 65 TYR H 1 65 TYR HB3 . . 3.470 2.772 2.569 2.990 . 0 0 "[ . 1 . 2]" 1
401 1 32 THR HA 1 87 LEU H . . 4.620 3.943 3.603 4.447 . 0 0 "[ . 1 . 2]" 1
402 1 31 ASP HB3 1 87 LEU H . . 4.020 3.154 1.945 4.016 . 0 0 "[ . 1 . 2]" 1
403 1 86 GLY H 1 87 LEU H . . 3.470 2.298 2.036 2.455 . 0 0 "[ . 1 . 2]" 1
404 1 85 HIS HA 1 87 LEU H . . 4.380 3.842 3.570 4.094 . 0 0 "[ . 1 . 2]" 1
405 1 31 ASP HB2 1 87 LEU H . . 4.020 3.161 2.072 3.924 . 0 0 "[ . 1 . 2]" 1
406 1 87 LEU H 1 87 LEU HG . . 3.100 2.728 2.536 2.901 . 0 0 "[ . 1 . 2]" 1
407 1 84 VAL MG1 1 87 LEU H . . 4.780 4.650 4.415 4.780 . 0 0 "[ . 1 . 2]" 1
408 1 87 LEU H 1 87 LEU MD2 . . 4.030 3.860 3.653 4.000 . 0 0 "[ . 1 . 2]" 1
409 1 87 LEU H 1 87 LEU MD1 . . 3.780 3.693 3.515 3.787 0.007 11 0 "[ . 1 . 2]" 1
410 1 51 GLN H 1 52 TYR H . . 4.390 4.170 3.996 4.403 0.013 11 0 "[ . 1 . 2]" 1
411 1 52 TYR H 1 71 TRP HE3 . . 3.860 3.676 3.325 3.866 0.006 8 0 "[ . 1 . 2]" 1
412 1 52 TYR H 1 71 TRP HZ3 . . 5.260 4.962 4.638 5.161 . 0 0 "[ . 1 . 2]" 1
413 1 52 TYR H 1 52 TYR QD . . 3.650 2.367 2.055 2.731 . 0 0 "[ . 1 . 2]" 1
414 1 51 GLN HA 1 52 TYR H . . 3.090 2.143 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
415 1 52 TYR H 1 73 ILE HA . . 4.250 4.046 3.483 4.311 0.061 11 0 "[ . 1 . 2]" 1
416 1 52 TYR H 1 53 THR HA . . 5.400 5.008 4.901 5.116 . 0 0 "[ . 1 . 2]" 1
417 1 52 TYR H 1 71 TRP HA . . 5.500 5.215 4.741 5.572 0.072 11 0 "[ . 1 . 2]" 1
418 1 52 TYR H 1 53 THR HB . . 5.130 4.725 4.546 4.838 . 0 0 "[ . 1 . 2]" 1
419 1 52 TYR H 1 72 MET ME . . 5.190 4.416 3.860 4.929 . 0 0 "[ . 1 . 2]" 1
420 1 51 GLN HB3 1 52 TYR H . . 3.880 3.518 3.129 3.588 . 0 0 "[ . 1 . 2]" 1
421 1 52 TYR H 1 72 MET HB2 . . 4.830 3.540 3.179 4.883 0.053 11 0 "[ . 1 . 2]" 1
422 1 108 SER H 1 109 GLU H . . 4.650 4.542 4.515 4.583 . 0 0 "[ . 1 . 2]" 1
423 1 108 SER HA 1 109 GLU H . . 3.150 2.545 2.451 2.580 . 0 0 "[ . 1 . 2]" 1
424 1 109 GLU H 1 109 GLU HG3 . . 3.850 3.121 2.363 3.823 . 0 0 "[ . 1 . 2]" 1
425 1 109 GLU H 1 109 GLU HB2 . . 3.650 2.470 2.213 3.606 . 0 0 "[ . 1 . 2]" 1
426 1 21 ILE MD 1 109 GLU H . . 4.670 4.295 3.651 4.577 . 0 0 "[ . 1 . 2]" 1
427 1 37 TRP H 1 38 ILE H . . 4.810 4.436 4.309 4.496 . 0 0 "[ . 1 . 2]" 1
428 1 37 TRP H 1 80 ASN HA . . 4.680 4.000 3.744 4.213 . 0 0 "[ . 1 . 2]" 1
429 1 31 ASP HA 1 87 LEU H . . 3.770 3.099 2.359 3.466 . 0 0 "[ . 1 . 2]" 1
430 1 96 ILE HB 1 111 THR H . . 5.500 5.500 5.439 5.561 0.061 13 0 "[ . 1 . 2]" 1
431 1 96 ILE HG12 1 111 THR H . . 4.290 3.695 3.368 3.822 . 0 0 "[ . 1 . 2]" 1
432 1 110 PRO HA 1 111 THR H . . 3.000 2.157 2.150 2.171 . 0 0 "[ . 1 . 2]" 1
433 1 94 ILE HA 1 111 THR H . . 4.500 4.326 3.865 4.511 0.011 5 0 "[ . 1 . 2]" 1
434 1 111 THR H 1 111 THR HB . . 3.420 2.516 2.379 2.668 . 0 0 "[ . 1 . 2]" 1
435 1 110 PRO HB3 1 111 THR H . . 4.190 4.108 3.940 4.221 0.031 9 0 "[ . 1 . 2]" 1
436 1 110 PRO HB2 1 111 THR H . . 3.850 3.688 3.442 3.847 . 0 0 "[ . 1 . 2]" 1
437 1 96 ILE HG13 1 111 THR H . . 4.290 3.111 2.949 3.286 . 0 0 "[ . 1 . 2]" 1
438 1 48 TYR HA 1 49 GLU H . . 3.240 2.328 2.249 2.485 . 0 0 "[ . 1 . 2]" 1
439 1 48 TYR HB3 1 49 GLU H . . 3.840 2.719 2.350 2.941 . 0 0 "[ . 1 . 2]" 1
440 1 49 GLU H 1 49 GLU HB3 . . 3.890 2.922 2.529 3.600 . 0 0 "[ . 1 . 2]" 1
441 1 48 TYR HB2 1 49 GLU H . . 4.260 4.027 3.790 4.163 . 0 0 "[ . 1 . 2]" 1
442 1 49 GLU H 1 49 GLU HB2 . . 3.890 2.901 2.527 3.425 . 0 0 "[ . 1 . 2]" 1
443 1 36 HIS H 1 37 TRP H . . 4.420 4.382 4.293 4.425 0.005 3 0 "[ . 1 . 2]" 1
444 1 37 TRP H 1 37 TRP HE3 . . 4.020 3.307 3.155 3.454 . 0 0 "[ . 1 . 2]" 1
445 1 37 TRP H 1 81 HIS HA . . 3.730 3.651 3.378 3.736 0.006 14 0 "[ . 1 . 2]" 1
446 1 36 HIS HB3 1 37 TRP H . . 3.800 3.388 3.304 3.519 . 0 0 "[ . 1 . 2]" 1
447 1 37 TRP H 1 80 ASN QB . . 3.730 3.660 3.345 3.736 0.006 13 0 "[ . 1 . 2]" 1
448 1 37 TRP H 1 81 HIS HB3 . . 4.450 3.945 3.554 4.240 . 0 0 "[ . 1 . 2]" 1
449 1 36 HIS HD2 1 37 TRP H . . 5.500 5.483 5.402 5.510 0.010 20 0 "[ . 1 . 2]" 1
450 1 35 VAL MG1 1 37 TRP H . . 4.240 4.123 3.919 4.244 0.004 2 0 "[ . 1 . 2]" 1
451 1 49 GLU H 1 97 VAL HA . . 4.720 4.546 4.344 4.719 . 0 0 "[ . 1 . 2]" 1
452 1 48 TYR HD1 1 49 GLU H . . 4.520 2.768 2.531 2.952 . 0 0 "[ . 1 . 2]" 1
453 1 49 GLU H 1 100 ILE H . . 4.980 4.471 4.191 4.751 . 0 0 "[ . 1 . 2]" 1
454 1 88 GLN H 1 91 THR MG . . 4.570 4.360 3.903 4.568 . 0 0 "[ . 1 . 2]" 1
455 1 11 ASP H 1 12 TYR H . . 3.560 2.804 1.911 3.334 . 0 0 "[ . 1 . 2]" 1
456 1 11 ASP HA 1 12 TYR H . . 3.510 3.084 2.683 3.533 0.023 9 0 "[ . 1 . 2]" 1
457 1 10 LEU HA 1 12 TYR H . . 4.150 3.928 3.351 4.188 0.038 18 0 "[ . 1 . 2]" 1
458 1 12 TYR H 1 12 TYR HB2 . . 3.700 3.213 2.083 3.714 0.014 19 0 "[ . 1 . 2]" 1
459 1 12 TYR H 1 12 TYR HB3 . . 3.700 2.558 2.151 3.243 . 0 0 "[ . 1 . 2]" 1
460 1 11 ASP HB3 1 12 TYR H . . 4.690 4.117 2.619 4.656 . 0 0 "[ . 1 . 2]" 1
461 1 10 LEU MD1 1 12 TYR H . . 5.500 4.460 2.757 5.452 . 0 0 "[ . 1 . 2]" 1
462 1 10 LEU MD2 1 12 TYR H . . 5.500 4.574 3.136 5.311 . 0 0 "[ . 1 . 2]" 1
463 1 23 GLU HA 1 25 LEU H . . 4.400 4.029 3.895 4.218 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU H 1 26 CYS HG . . 4.340 4.213 4.017 4.346 0.006 15 0 "[ . 1 . 2]" 1
465 1 22 ARG HB3 1 25 LEU H . . 4.210 2.661 2.528 2.788 . 0 0 "[ . 1 . 2]" 1
466 1 25 LEU H 1 25 LEU HB3 . . 3.760 3.653 3.626 3.687 . 0 0 "[ . 1 . 2]" 1
467 1 25 LEU H 1 25 LEU HG . . 3.560 2.361 2.106 2.535 . 0 0 "[ . 1 . 2]" 1
468 1 25 LEU H 1 25 LEU HB2 . . 3.660 2.585 2.514 2.664 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU H 1 25 LEU MD2 . . 3.510 3.307 3.136 3.498 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLU H 1 25 LEU H . . 3.610 2.480 2.280 2.713 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU H 1 36 HIS HB2 . . 4.930 4.244 4.078 4.396 . 0 0 "[ . 1 . 2]" 1
472 1 22 ARG HB2 1 25 LEU H . . 4.210 3.293 3.155 3.511 . 0 0 "[ . 1 . 2]" 1
473 1 88 GLN H 1 93 TYR QE . . 4.080 2.345 2.085 2.560 . 0 0 "[ . 1 . 2]" 1
474 1 87 LEU HA 1 88 GLN H . . 3.410 2.570 2.396 2.654 . 0 0 "[ . 1 . 2]" 1
475 1 88 GLN H 1 88 GLN HB3 . . 3.870 3.699 3.652 3.747 . 0 0 "[ . 1 . 2]" 1
476 1 88 GLN H 1 88 GLN HB2 . . 3.670 2.566 2.493 2.697 . 0 0 "[ . 1 . 2]" 1
477 1 87 LEU HB2 1 88 GLN H . . 3.900 3.253 3.107 3.604 . 0 0 "[ . 1 . 2]" 1
478 1 115 THR HG1 1 116 ASN H . . 4.800 4.123 3.812 4.429 . 0 0 "[ . 1 . 2]" 1
479 1 28 ALA HA 1 116 ASN H . . 5.500 5.099 4.742 5.441 . 0 0 "[ . 1 . 2]" 1
480 1 89 SER HA 1 116 ASN H . . 5.500 4.746 4.183 5.128 . 0 0 "[ . 1 . 2]" 1
481 1 30 HIS HA 1 116 ASN H . . 3.520 3.428 3.181 3.521 0.001 10 0 "[ . 1 . 2]" 1
482 1 115 THR HA 1 116 ASN H . . 3.120 2.483 2.347 2.594 . 0 0 "[ . 1 . 2]" 1
483 1 115 THR MG 1 116 ASN H . . 3.830 3.495 3.389 3.608 . 0 0 "[ . 1 . 2]" 1
484 1 116 ASN H 1 116 ASN HB2 . . 4.100 2.713 2.243 3.729 . 0 0 "[ . 1 . 2]" 1
485 1 30 HIS HB3 1 116 ASN H . . 5.500 5.240 4.965 5.387 . 0 0 "[ . 1 . 2]" 1
486 1 23 GLU H 1 24 GLU H . . 3.900 2.398 2.272 2.739 . 0 0 "[ . 1 . 2]" 1
487 1 24 GLU H 1 25 LEU MD2 . . 4.850 4.764 4.637 4.862 0.012 8 0 "[ . 1 . 2]" 1
488 1 24 GLU H 1 24 GLU HG2 . . 4.140 2.217 1.946 3.050 . 0 0 "[ . 1 . 2]" 1
489 1 23 GLU QB 1 24 GLU H . . 3.520 2.890 2.647 3.153 . 0 0 "[ . 1 . 2]" 1
490 1 24 GLU H 1 24 GLU HG3 . . 4.140 3.272 2.796 3.941 . 0 0 "[ . 1 . 2]" 1
491 1 22 ARG QG 1 24 GLU H . . 5.500 5.185 4.940 5.420 . 0 0 "[ . 1 . 2]" 1
492 1 24 GLU H 1 25 LEU HG . . 4.860 3.977 3.688 4.173 . 0 0 "[ . 1 . 2]" 1
493 1 24 GLU H 1 25 LEU HB2 . . 5.200 4.859 4.645 5.200 . 0 0 "[ . 1 . 2]" 1
494 1 29 SER H 1 31 ASP H . . 5.500 5.441 5.263 5.519 0.019 13 0 "[ . 1 . 2]" 1
495 1 29 SER H 1 115 THR MG . . 4.490 2.907 2.574 3.180 . 0 0 "[ . 1 . 2]" 1
496 1 29 SER H 1 33 ILE MG . . 4.540 4.083 3.783 4.290 . 0 0 "[ . 1 . 2]" 1
497 1 29 SER H 1 33 ILE H . . 5.250 4.728 4.632 4.784 . 0 0 "[ . 1 . 2]" 1
498 1 29 SER H 1 116 ASN H . . 5.500 4.057 3.602 4.338 . 0 0 "[ . 1 . 2]" 1
499 1 29 SER H 1 32 THR H . . 3.850 3.488 3.391 3.727 . 0 0 "[ . 1 . 2]" 1
500 1 28 ALA HA 1 29 SER H . . 3.010 2.183 2.149 2.250 . 0 0 "[ . 1 . 2]" 1
501 1 29 SER H 1 33 ILE HA . . 3.750 2.961 2.782 3.064 . 0 0 "[ . 1 . 2]" 1
502 1 29 SER H 1 32 THR HB . . 5.000 4.516 4.031 4.923 . 0 0 "[ . 1 . 2]" 1
503 1 28 ALA MB 1 29 SER H . . 3.260 3.026 2.852 3.168 . 0 0 "[ . 1 . 2]" 1
504 1 29 SER H 1 33 ILE HG12 . . 4.600 2.361 2.047 2.679 . 0 0 "[ . 1 . 2]" 1
505 1 37 TRP H 1 82 TYR H . . 5.500 5.430 5.266 5.500 . 0 0 "[ . 1 . 2]" 1
506 1 79 GLN HE21 1 82 TYR H . . 4.800 4.219 4.008 4.358 . 0 0 "[ . 1 . 2]" 1
507 1 82 TYR H 1 82 TYR QD . . 4.630 4.201 4.146 4.236 . 0 0 "[ . 1 . 2]" 1
508 1 37 TRP HE3 1 82 TYR H . . 4.690 4.421 4.229 4.570 . 0 0 "[ . 1 . 2]" 1
509 1 37 TRP HZ3 1 82 TYR H . . 3.930 2.560 2.372 2.786 . 0 0 "[ . 1 . 2]" 1
510 1 81 HIS HA 1 82 TYR H . . 3.090 2.146 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
511 1 82 TYR H 1 82 TYR HB3 . . 4.060 2.605 2.561 2.666 . 0 0 "[ . 1 . 2]" 1
512 1 79 GLN QG 1 82 TYR H . . 4.430 4.003 3.883 4.172 . 0 0 "[ . 1 . 2]" 1
513 1 35 VAL HB 1 82 TYR H . . 4.180 3.815 3.675 3.933 . 0 0 "[ . 1 . 2]" 1
514 1 81 HIS HB2 1 82 TYR H . . 3.590 3.409 3.199 3.534 . 0 0 "[ . 1 . 2]" 1
515 1 50 LEU MD1 1 82 TYR H . . 4.390 3.754 3.325 4.113 . 0 0 "[ . 1 . 2]" 1
516 1 35 VAL MG2 1 82 TYR H . . 5.040 4.887 4.747 5.026 . 0 0 "[ . 1 . 2]" 1
517 1 24 GLU H 1 26 CYS H . . 4.560 3.853 3.699 3.959 . 0 0 "[ . 1 . 2]" 1
518 1 26 CYS H 1 27 THR H . . 4.840 4.615 4.550 4.644 . 0 0 "[ . 1 . 2]" 1
519 1 25 LEU H 1 26 CYS H . . 3.030 2.223 2.117 2.327 . 0 0 "[ . 1 . 2]" 1
520 1 23 GLU HA 1 26 CYS H . . 3.820 3.228 3.103 3.408 . 0 0 "[ . 1 . 2]" 1
521 1 26 CYS H 1 26 CYS HG . . 3.120 2.779 2.605 2.943 . 0 0 "[ . 1 . 2]" 1
522 1 26 CYS H 1 26 CYS HB2 . . 3.640 3.190 2.272 3.594 . 0 0 "[ . 1 . 2]" 1
523 1 26 CYS H 1 26 CYS HB3 . . 3.640 2.706 2.302 3.570 . 0 0 "[ . 1 . 2]" 1
524 1 23 GLU QB 1 26 CYS H . . 5.390 4.752 4.544 4.973 . 0 0 "[ . 1 . 2]" 1
525 1 25 LEU HB3 1 26 CYS H . . 4.150 4.001 3.904 4.107 . 0 0 "[ . 1 . 2]" 1
526 1 25 LEU HG 1 26 CYS H . . 4.330 4.207 4.060 4.307 . 0 0 "[ . 1 . 2]" 1
527 1 25 LEU HB2 1 26 CYS H . . 4.000 2.911 2.846 3.024 . 0 0 "[ . 1 . 2]" 1
528 1 65 TYR QD 1 66 ASN H . . 5.060 4.539 4.339 4.695 . 0 0 "[ . 1 . 2]" 1
529 1 66 ASN H 1 66 ASN HB2 . . 3.850 2.255 2.182 2.442 . 0 0 "[ . 1 . 2]" 1
530 1 66 ASN H 1 66 ASN HB3 . . 3.850 3.161 2.672 3.584 . 0 0 "[ . 1 . 2]" 1
531 1 99 ALA H 1 108 SER H . . 4.950 4.736 4.426 4.973 0.023 15 0 "[ . 1 . 2]" 1
532 1 107 ASN H 1 108 SER H . . 5.100 4.510 4.397 4.563 . 0 0 "[ . 1 . 2]" 1
533 1 78 LYS H 1 79 GLN H . . 3.250 2.823 2.576 2.975 . 0 0 "[ . 1 . 2]" 1
534 1 79 GLN H 1 79 GLN QG . . 3.390 2.304 2.006 2.867 . 0 0 "[ . 1 . 2]" 1
535 1 77 ILE MD 1 79 GLN H . . 5.370 5.064 4.934 5.167 . 0 0 "[ . 1 . 2]" 1
536 1 97 VAL H 1 108 SER H . . 4.310 4.141 3.941 4.288 . 0 0 "[ . 1 . 2]" 1
537 1 107 ASN HA 1 108 SER H . . 3.170 2.161 2.140 2.188 . 0 0 "[ . 1 . 2]" 1
538 1 98 LYS HA 1 108 SER H . . 3.970 3.196 2.887 3.521 . 0 0 "[ . 1 . 2]" 1
539 1 19 PRO HD2 1 108 SER H . . 3.840 3.765 3.488 3.857 0.017 19 0 "[ . 1 . 2]" 1
540 1 19 PRO HD3 1 108 SER H . . 5.490 5.177 4.914 5.283 . 0 0 "[ . 1 . 2]" 1
541 1 107 ASN HB2 1 108 SER H . . 4.590 3.787 3.147 4.460 . 0 0 "[ . 1 . 2]" 1
542 1 19 PRO HG2 1 108 SER H . . 4.190 3.878 3.471 4.079 . 0 0 "[ . 1 . 2]" 1
543 1 97 VAL MG1 1 108 SER H . . 4.780 4.702 4.541 4.789 0.009 14 0 "[ . 1 . 2]" 1
544 1 43 PHE H 1 43 PHE HB3 . . 3.780 3.584 3.500 3.687 . 0 0 "[ . 1 . 2]" 1
545 1 42 GLU HG2 1 43 PHE H . . 4.330 3.668 2.300 4.321 . 0 0 "[ . 1 . 2]" 1
546 1 42 GLU HG3 1 43 PHE H . . 4.330 3.613 2.080 4.329 . 0 0 "[ . 1 . 2]" 1
547 1 62 ILE HB 1 63 SER H . . 3.470 2.397 2.171 2.641 . 0 0 "[ . 1 . 2]" 1
548 1 62 ILE HG13 1 63 SER H . . 4.940 4.765 4.583 4.950 0.010 12 0 "[ . 1 . 2]" 1
549 1 63 SER H 1 64 LEU HB3 . . 5.130 4.983 4.716 5.143 0.013 17 0 "[ . 1 . 2]" 1
550 1 78 LYS HA 1 79 GLN H . . 3.320 2.792 2.748 2.862 . 0 0 "[ . 1 . 2]" 1
551 1 77 ILE HA 1 79 GLN H . . 3.950 3.775 3.625 3.959 0.009 14 0 "[ . 1 . 2]" 1
552 1 79 GLN H 1 80 ASN HA . . 5.330 4.834 4.790 4.907 . 0 0 "[ . 1 . 2]" 1
553 1 79 GLN H 1 79 GLN HB3 . . 3.560 3.274 3.165 3.364 . 0 0 "[ . 1 . 2]" 1
554 1 78 LYS HB2 1 79 GLN H . . 4.260 4.224 4.150 4.262 0.002 6 0 "[ . 1 . 2]" 1
555 1 78 LYS QG 1 79 GLN H . . 4.650 4.587 4.455 4.646 . 0 0 "[ . 1 . 2]" 1
556 1 77 ILE MG 1 79 GLN H . . 2.890 2.041 1.931 2.276 . 0 0 "[ . 1 . 2]" 1
557 1 77 ILE HG12 1 79 GLN H . . 5.460 5.406 5.345 5.464 0.004 13 0 "[ . 1 . 2]" 1
558 1 48 TYR HB3 1 79 GLN H . . 5.450 5.200 4.987 5.396 . 0 0 "[ . 1 . 2]" 1
559 1 43 PHE H 1 43 PHE HB2 . . 3.780 2.485 2.202 2.855 . 0 0 "[ . 1 . 2]" 1
560 1 22 ARG H 1 38 ILE H . . 4.210 3.709 3.398 4.016 . 0 0 "[ . 1 . 2]" 1
561 1 37 TRP HA 1 38 ILE H . . 3.290 2.193 2.145 2.269 . 0 0 "[ . 1 . 2]" 1
562 1 21 ILE HA 1 38 ILE H . . 4.070 3.641 3.447 3.828 . 0 0 "[ . 1 . 2]" 1
563 1 37 TRP HB2 1 38 ILE H . . 3.610 3.097 2.794 3.395 . 0 0 "[ . 1 . 2]" 1
564 1 22 ARG QG 1 38 ILE H . . 4.250 3.091 2.775 3.455 . 0 0 "[ . 1 . 2]" 1
565 1 38 ILE H 1 38 ILE MG . . 3.440 1.981 1.827 2.132 . 0 0 "[ . 1 . 2]" 1
566 1 91 THR H 1 115 THR H . . 3.550 2.812 2.497 3.207 . 0 0 "[ . 1 . 2]" 1
567 1 91 THR H 1 92 ARG H . . 4.550 4.340 4.283 4.401 . 0 0 "[ . 1 . 2]" 1
568 1 90 GLY H 1 91 THR H . . 3.600 3.023 2.719 3.241 . 0 0 "[ . 1 . 2]" 1
569 1 91 THR H 1 115 THR HG1 . . 3.230 2.405 2.079 3.102 . 0 0 "[ . 1 . 2]" 1
570 1 89 SER HA 1 91 THR H . . 4.220 4.020 3.574 4.241 0.021 19 0 "[ . 1 . 2]" 1
571 1 91 THR H 1 91 THR HB . . 3.180 2.866 2.775 3.017 . 0 0 "[ . 1 . 2]" 1
572 1 91 THR H 1 114 LYS HG2 . . 5.500 5.022 4.321 5.471 . 0 0 "[ . 1 . 2]" 1
573 1 91 THR H 1 115 THR MG . . 3.940 3.595 3.328 3.881 . 0 0 "[ . 1 . 2]" 1
574 1 91 THR H 1 91 THR MG . . 3.980 3.923 3.857 3.997 0.017 3 0 "[ . 1 . 2]" 1
575 1 90 GLY H 1 115 THR MG . . 4.640 4.217 3.920 4.640 0.000 7 0 "[ . 1 . 2]" 1
576 1 90 GLY H 1 115 THR HG1 . . 3.730 2.244 1.896 3.048 . 0 0 "[ . 1 . 2]" 1
577 1 89 SER HA 1 90 GLY H . . 3.260 2.254 2.178 2.347 . 0 0 "[ . 1 . 2]" 1
578 1 89 SER HB3 1 90 GLY H . . 3.940 3.649 2.921 3.960 0.020 3 0 "[ . 1 . 2]" 1
579 1 64 LEU HA 1 67 SER H . . 4.750 3.592 3.333 3.970 . 0 0 "[ . 1 . 2]" 1
580 1 67 SER H 1 67 SER QB . . 3.580 2.423 2.244 2.904 . 0 0 "[ . 1 . 2]" 1
581 1 66 ASN HB2 1 67 SER H . . 4.720 3.194 2.297 3.735 . 0 0 "[ . 1 . 2]" 1
582 1 17 ASN HB2 1 17 ASN HD22 . . 4.010 3.715 3.434 4.091 0.081 18 0 "[ . 1 . 2]" 1
583 1 17 ASN HB3 1 17 ASN HD22 . . 4.010 3.662 3.436 4.011 0.001 2 0 "[ . 1 . 2]" 1
584 1 14 THR H 1 15 ALA H . . 4.030 3.011 2.697 3.176 . 0 0 "[ . 1 . 2]" 1
585 1 12 TYR HA 1 14 THR H . . 4.390 3.895 3.541 4.486 0.096 16 0 "[ . 1 . 2]" 1
586 1 14 THR H 1 14 THR HA . . 2.760 2.667 2.607 2.793 0.033 4 0 "[ . 1 . 2]" 1
587 1 14 THR H 1 14 THR HB . . 3.770 2.812 2.338 3.522 . 0 0 "[ . 1 . 2]" 1
588 1 13 LEU QB 1 14 THR H . . 3.870 3.180 2.482 3.891 0.021 20 0 "[ . 1 . 2]" 1
589 1 14 THR H 1 14 THR MG . . 3.220 2.052 1.766 2.704 . 0 0 "[ . 1 . 2]" 1
590 1 30 HIS HE1 1 31 ASP H . . 5.250 4.640 4.178 5.098 . 0 0 "[ . 1 . 2]" 1
591 1 30 HIS HD2 1 31 ASP H . . 3.220 2.293 1.910 2.786 . 0 0 "[ . 1 . 2]" 1
592 1 30 HIS HB2 1 31 ASP H . . 4.540 2.756 2.413 3.183 . 0 0 "[ . 1 . 2]" 1
593 1 30 HIS H 1 31 ASP H . . 4.650 3.273 3.056 3.430 . 0 0 "[ . 1 . 2]" 1
594 1 101 ASN HB2 1 102 GLN H . . 4.000 2.087 1.968 2.372 . 0 0 "[ . 1 . 2]" 1
595 1 101 ASN HB3 1 102 GLN H . . 4.160 3.596 3.497 3.772 . 0 0 "[ . 1 . 2]" 1
596 1 102 GLN H 1 102 GLN QB . . 3.600 2.332 2.156 2.698 . 0 0 "[ . 1 . 2]" 1
597 1 79 GLN HA 1 80 ASN H . . 3.200 2.507 2.407 2.609 . 0 0 "[ . 1 . 2]" 1
598 1 80 ASN H 1 80 ASN QB . . 3.420 2.403 2.241 2.526 . 0 0 "[ . 1 . 2]" 1
599 1 79 GLN QG 1 80 ASN H . . 3.840 3.367 3.060 3.559 . 0 0 "[ . 1 . 2]" 1
600 1 79 GLN HB2 1 80 ASN H . . 3.410 2.230 2.070 2.429 . 0 0 "[ . 1 . 2]" 1
601 1 80 ASN H 1 81 HIS HD2 . . 5.060 4.800 4.455 5.049 . 0 0 "[ . 1 . 2]" 1
602 1 44 SER H 1 45 ILE H . . 3.310 2.450 2.306 2.562 . 0 0 "[ . 1 . 2]" 1
603 1 43 PHE QD 1 44 SER H . . 4.530 4.103 3.582 4.515 . 0 0 "[ . 1 . 2]" 1
604 1 43 PHE HA 1 44 SER H . . 3.540 3.505 3.440 3.538 . 0 0 "[ . 1 . 2]" 1
605 1 44 SER H 1 44 SER HB2 . . 3.630 2.657 2.296 3.561 . 0 0 "[ . 1 . 2]" 1
606 1 44 SER H 1 44 SER HB3 . . 3.630 3.280 2.198 3.643 0.013 2 0 "[ . 1 . 2]" 1
607 1 43 PHE HB2 1 44 SER H . . 4.100 2.818 2.597 3.123 . 0 0 "[ . 1 . 2]" 1
608 1 44 SER H 1 45 ILE HB . . 4.900 4.677 4.441 4.908 0.008 9 0 "[ . 1 . 2]" 1
609 1 44 SER H 1 45 ILE HG12 . . 5.500 5.405 5.171 5.511 0.011 17 0 "[ . 1 . 2]" 1
610 1 44 SER H 1 45 ILE HG13 . . 4.750 3.858 3.731 3.943 . 0 0 "[ . 1 . 2]" 1
611 1 44 SER H 1 45 ILE MD . . 5.020 4.908 4.703 5.024 0.004 13 0 "[ . 1 . 2]" 1
612 1 115 THR H 1 116 ASN H . . 4.790 4.561 4.504 4.605 . 0 0 "[ . 1 . 2]" 1
613 1 114 LYS HA 1 115 THR H . . 3.100 2.204 2.145 2.290 . 0 0 "[ . 1 . 2]" 1
614 1 90 GLY H 1 115 THR H . . 4.760 4.405 3.996 4.703 . 0 0 "[ . 1 . 2]" 1
615 1 48 TYR H 1 76 ASN HA . . 5.450 5.329 5.010 5.447 . 0 0 "[ . 1 . 2]" 1
616 1 48 TYR H 1 78 LYS HA . . 4.860 3.983 3.525 4.210 . 0 0 "[ . 1 . 2]" 1
617 1 48 TYR H 1 77 ILE HG13 . . 5.030 4.829 4.287 5.032 0.002 4 0 "[ . 1 . 2]" 1
618 1 48 TYR H 1 78 LYS QG . . 5.300 4.471 3.589 4.739 . 0 0 "[ . 1 . 2]" 1
619 1 48 TYR H 1 48 TYR HB3 . . 4.160 3.515 3.488 3.542 . 0 0 "[ . 1 . 2]" 1
620 1 93 TYR H 1 115 THR H . . 5.430 5.073 4.723 5.362 . 0 0 "[ . 1 . 2]" 1
621 1 93 TYR QD 1 115 THR H . . 4.370 4.030 3.829 4.151 . 0 0 "[ . 1 . 2]" 1
622 1 115 THR H 1 115 THR MG . . 3.550 2.701 2.451 2.887 . 0 0 "[ . 1 . 2]" 1
623 1 33 ILE MD 1 115 THR H . . 4.140 3.814 3.606 4.061 . 0 0 "[ . 1 . 2]" 1
624 1 115 THR H 1 115 THR HG1 . . 4.020 3.347 2.744 3.468 . 0 0 "[ . 1 . 2]" 1
625 1 91 THR HB 1 115 THR H . . 5.500 4.853 4.645 5.117 . 0 0 "[ . 1 . 2]" 1
626 1 48 TYR H 1 48 TYR HD2 . . 4.390 3.551 3.405 3.658 . 0 0 "[ . 1 . 2]" 1
627 1 47 SER HA 1 48 TYR H . . 3.200 2.349 2.295 2.425 . 0 0 "[ . 1 . 2]" 1
628 1 48 TYR H 1 48 TYR HB2 . . 3.940 2.304 2.269 2.350 . 0 0 "[ . 1 . 2]" 1
629 1 48 TYR H 1 77 ILE HB . . 3.990 2.964 2.373 3.195 . 0 0 "[ . 1 . 2]" 1
630 1 48 TYR H 1 77 ILE H . . 3.740 3.285 2.786 3.460 . 0 0 "[ . 1 . 2]" 1
631 1 47 SER HB2 1 48 TYR H . . 3.550 2.570 2.382 2.710 . 0 0 "[ . 1 . 2]" 1
632 1 27 THR H 1 34 THR H . . 3.750 3.076 2.849 3.226 . 0 0 "[ . 1 . 2]" 1
633 1 27 THR H 1 28 ALA H . . 4.700 4.443 4.284 4.543 . 0 0 "[ . 1 . 2]" 1
634 1 27 THR H 1 36 HIS H . . 5.380 4.844 4.284 5.140 . 0 0 "[ . 1 . 2]" 1
635 1 27 THR H 1 36 HIS HD2 . . 3.950 3.664 3.411 3.921 . 0 0 "[ . 1 . 2]" 1
636 1 26 CYS HA 1 27 THR H . . 2.970 2.262 2.156 2.399 . 0 0 "[ . 1 . 2]" 1
637 1 27 THR H 1 35 VAL HA . . 4.370 3.912 3.738 4.276 . 0 0 "[ . 1 . 2]" 1
638 1 27 THR H 1 34 THR HB . . 3.530 2.896 2.498 3.547 0.017 15 0 "[ . 1 . 2]" 1
639 1 26 CYS HG 1 27 THR H . . 5.160 4.850 4.504 5.209 0.049 15 0 "[ . 1 . 2]" 1
640 1 27 THR H 1 28 ALA MB . . 5.330 5.081 4.830 5.264 . 0 0 "[ . 1 . 2]" 1
641 1 27 THR H 1 34 THR MG . . 4.190 4.012 3.715 4.198 0.008 4 0 "[ . 1 . 2]" 1
642 1 27 THR H 1 33 ILE MG . . 4.400 3.667 3.465 4.026 . 0 0 "[ . 1 . 2]" 1
643 1 70 SER H 1 71 TRP HD1 . . 4.200 3.308 3.058 3.601 . 0 0 "[ . 1 . 2]" 1
644 1 70 SER H 1 70 SER HB2 . . 3.690 2.536 2.213 2.957 . 0 0 "[ . 1 . 2]" 1
645 1 70 SER H 1 70 SER HB3 . . 3.690 2.999 2.306 3.618 . 0 0 "[ . 1 . 2]" 1
646 1 69 ASP H 1 70 SER H . . 3.570 2.616 2.053 2.932 . 0 0 "[ . 1 . 2]" 1
647 1 68 VAL HA 1 70 SER H . . 4.450 3.531 3.206 4.201 . 0 0 "[ . 1 . 2]" 1
648 1 19 PRO HA 1 20 SER H . . 3.000 2.304 2.192 2.470 . 0 0 "[ . 1 . 2]" 1
649 1 20 SER H 1 20 SER HB2 . . 3.420 2.393 2.299 2.509 . 0 0 "[ . 1 . 2]" 1
650 1 20 SER H 1 38 ILE HB . . 5.340 5.186 4.935 5.347 0.007 1 0 "[ . 1 . 2]" 1
651 1 19 PRO HB2 1 20 SER H . . 3.830 2.893 2.440 3.271 . 0 0 "[ . 1 . 2]" 1
652 1 20 SER H 1 21 ILE H . . 4.490 4.156 3.999 4.378 . 0 0 "[ . 1 . 2]" 1
653 1 19 PRO HG2 1 20 SER H . . 4.850 4.611 4.287 4.843 . 0 0 "[ . 1 . 2]" 1
654 1 20 SER H 1 38 ILE H . . 3.490 2.902 2.235 3.239 . 0 0 "[ . 1 . 2]" 1
655 1 20 SER H 1 37 TRP HA . . 4.890 4.324 3.935 4.726 . 0 0 "[ . 1 . 2]" 1
656 1 20 SER H 1 37 TRP HB3 . . 5.500 4.966 4.652 5.303 . 0 0 "[ . 1 . 2]" 1
657 1 20 SER H 1 37 TRP HB2 . . 4.350 3.666 3.280 4.022 . 0 0 "[ . 1 . 2]" 1
658 1 19 PRO HB3 1 20 SER H . . 3.840 3.608 3.368 3.829 . 0 0 "[ . 1 . 2]" 1
659 1 20 SER H 1 38 ILE MG . . 3.930 2.800 2.438 3.283 . 0 0 "[ . 1 . 2]" 1
660 1 46 SER H 1 47 SER H . . 3.050 2.559 2.376 2.743 . 0 0 "[ . 1 . 2]" 1
661 1 45 ILE HA 1 47 SER H . . 4.250 3.843 3.554 4.125 . 0 0 "[ . 1 . 2]" 1
662 1 45 ILE HB 1 47 SER H . . 4.920 4.475 4.231 4.739 . 0 0 "[ . 1 . 2]" 1
663 1 45 ILE HG12 1 47 SER H . . 5.500 5.276 4.981 5.465 . 0 0 "[ . 1 . 2]" 1
664 1 47 SER H 1 99 ALA MB . . 5.500 5.432 5.232 5.544 0.044 9 0 "[ . 1 . 2]" 1
665 1 45 ILE MG 1 47 SER H . . 3.180 2.074 1.884 2.436 . 0 0 "[ . 1 . 2]" 1
666 1 46 SER QB 1 47 SER H . . 3.310 2.670 2.493 2.940 . 0 0 "[ . 1 . 2]" 1
667 1 47 SER H 1 100 ILE HB . . 3.750 3.652 3.326 3.764 0.014 14 0 "[ . 1 . 2]" 1
668 1 47 SER HB2 1 76 ASN H . . 4.360 3.788 3.156 4.160 . 0 0 "[ . 1 . 2]" 1
669 1 76 ASN H 1 77 ILE HG12 . . 5.350 5.271 5.031 5.355 0.005 19 0 "[ . 1 . 2]" 1
670 1 49 GLU HA 1 76 ASN H . . 5.500 5.227 5.025 5.527 0.027 12 0 "[ . 1 . 2]" 1
671 1 76 ASN H 1 76 ASN HB2 . . 4.110 3.588 3.307 4.039 . 0 0 "[ . 1 . 2]" 1
672 1 75 PRO HB3 1 76 ASN H . . 3.840 3.254 3.144 3.358 . 0 0 "[ . 1 . 2]" 1
673 1 75 PRO HB2 1 76 ASN H . . 3.530 2.176 1.896 2.419 . 0 0 "[ . 1 . 2]" 1
674 1 88 GLN H 1 88 GLN HE22 . . 5.500 5.233 4.793 5.507 0.007 11 0 "[ . 1 . 2]" 1
675 1 87 LEU HA 1 88 GLN HE21 . . 4.430 4.063 3.453 4.433 0.003 6 0 "[ . 1 . 2]" 1
676 1 88 GLN HB2 1 88 GLN HE21 . . 4.770 4.169 2.293 4.567 . 0 0 "[ . 1 . 2]" 1
677 1 54 ILE MD 1 88 GLN HE21 . . 3.880 3.087 1.874 3.724 . 0 0 "[ . 1 . 2]" 1
678 1 54 ILE MD 1 88 GLN HE22 . . 4.910 4.010 1.909 4.917 0.007 15 0 "[ . 1 . 2]" 1
679 1 52 TYR H 1 53 THR H . . 4.740 4.421 4.317 4.459 . 0 0 "[ . 1 . 2]" 1
680 1 53 THR H 1 94 ILE H . . 3.670 3.098 2.873 3.226 . 0 0 "[ . 1 . 2]" 1
681 1 53 THR H 1 71 TRP HE3 . . 5.050 4.680 4.425 5.014 . 0 0 "[ . 1 . 2]" 1
682 1 52 TYR QD 1 53 THR H . . 4.130 3.845 3.454 4.194 0.064 11 0 "[ . 1 . 2]" 1
683 1 52 TYR HA 1 53 THR H . . 3.170 2.278 2.231 2.421 . 0 0 "[ . 1 . 2]" 1
684 1 53 THR H 1 95 PHE HA . . 4.410 4.267 3.959 4.414 0.004 12 0 "[ . 1 . 2]" 1
685 1 53 THR H 1 93 TYR HA . . 4.470 4.192 3.893 4.311 . 0 0 "[ . 1 . 2]" 1
686 1 53 THR H 1 53 THR HB . . 4.200 3.349 3.259 3.438 . 0 0 "[ . 1 . 2]" 1
687 1 52 TYR HB2 1 53 THR H . . 4.040 2.762 2.389 2.898 . 0 0 "[ . 1 . 2]" 1
688 1 52 TYR HB3 1 53 THR H . . 4.040 3.943 3.723 4.049 0.009 6 0 "[ . 1 . 2]" 1
689 1 53 THR H 1 94 ILE MG . . 4.500 4.451 4.078 4.526 0.026 11 0 "[ . 1 . 2]" 1
690 1 53 THR H 1 94 ILE MD . . 5.500 5.317 5.063 5.497 . 0 0 "[ . 1 . 2]" 1
691 1 53 THR H 1 53 THR MG . . 3.570 2.597 2.361 2.720 . 0 0 "[ . 1 . 2]" 1
692 1 88 GLN HA 1 88 GLN HE21 . . 5.160 4.303 3.757 5.026 . 0 0 "[ . 1 . 2]" 1
693 1 53 THR H 1 93 TYR QD . . 3.690 3.434 3.060 3.696 0.006 9 0 "[ . 1 . 2]" 1
694 1 53 THR H 1 94 ILE HB . . 4.470 3.601 3.320 3.729 . 0 0 "[ . 1 . 2]" 1
695 1 62 ILE MG 1 66 ASN HD22 . . 4.040 3.100 1.725 4.036 . 0 0 "[ . 1 . 2]" 1
696 1 77 ILE MG 1 79 GLN HE21 . . 4.750 2.673 2.305 2.978 . 0 0 "[ . 1 . 2]" 1
697 1 62 ILE MG 1 66 ASN HD21 . . 4.040 2.931 2.403 4.007 . 0 0 "[ . 1 . 2]" 1
698 1 79 GLN HE22 1 82 TYR HA . . 4.530 2.956 2.378 4.337 . 0 0 "[ . 1 . 2]" 1
699 1 79 GLN HB2 1 79 GLN HE21 . . 4.690 4.443 4.316 4.591 . 0 0 "[ . 1 . 2]" 1
700 1 29 SER HA 1 116 ASN HD22 . . 3.890 3.057 1.919 3.791 . 0 0 "[ . 1 . 2]" 1
701 1 29 SER HA 1 116 ASN HD21 . . 3.890 2.487 1.968 3.048 . 0 0 "[ . 1 . 2]" 1
702 1 104 GLY H 1 105 SER H . . 4.110 4.053 3.979 4.126 0.016 15 0 "[ . 1 . 2]" 1
703 1 101 ASN H 1 105 SER H . . 5.210 4.977 4.838 5.108 . 0 0 "[ . 1 . 2]" 1
704 1 105 SER H 1 106 ARG H . . 4.420 4.371 4.297 4.434 0.014 9 0 "[ . 1 . 2]" 1
705 1 104 GLY HA2 1 105 SER H . . 3.330 3.085 3.015 3.158 . 0 0 "[ . 1 . 2]" 1
706 1 104 GLY HA3 1 105 SER H . . 3.060 2.176 2.150 2.207 . 0 0 "[ . 1 . 2]" 1
707 1 16 PRO HD3 1 105 SER H . . 4.470 3.894 3.626 4.307 . 0 0 "[ . 1 . 2]" 1
708 1 16 PRO HD2 1 105 SER H . . 4.810 3.288 3.014 3.480 . 0 0 "[ . 1 . 2]" 1
709 1 15 ALA MB 1 105 SER H . . 4.360 4.115 3.671 4.363 0.003 15 0 "[ . 1 . 2]" 1
710 1 97 VAL HA 1 98 LYS H . . 3.110 2.170 2.139 2.214 . 0 0 "[ . 1 . 2]" 1
711 1 98 LYS H 1 98 LYS QB . . 3.400 2.474 2.356 2.567 . 0 0 "[ . 1 . 2]" 1
712 1 98 LYS H 1 98 LYS HG3 . . 5.060 4.722 4.551 4.880 . 0 0 "[ . 1 . 2]" 1
713 1 98 LYS H 1 98 LYS HG2 . . 5.060 4.357 4.166 4.563 . 0 0 "[ . 1 . 2]" 1
714 1 50 LEU MD1 1 98 LYS H . . 5.220 4.801 4.638 5.065 . 0 0 "[ . 1 . 2]" 1
715 1 96 ILE MG 1 98 LYS H . . 4.840 4.289 3.964 4.485 . 0 0 "[ . 1 . 2]" 1
716 1 98 LYS H 1 100 ILE MD . . 5.450 4.756 4.023 5.453 0.003 15 0 "[ . 1 . 2]" 1
717 1 97 VAL MG2 1 98 LYS H . . 4.170 3.909 3.845 4.044 . 0 0 "[ . 1 . 2]" 1
718 1 49 GLU H 1 98 LYS H . . 3.770 3.094 2.796 3.412 . 0 0 "[ . 1 . 2]" 1
719 1 98 LYS H 1 107 ASN HA . . 5.050 4.851 4.514 5.065 0.015 14 0 "[ . 1 . 2]" 1
720 1 98 LYS H 1 99 ALA MB . . 5.500 5.167 5.107 5.315 . 0 0 "[ . 1 . 2]" 1
721 1 65 TYR HB2 1 71 TRP HE1 . . 5.500 4.621 4.403 4.768 . 0 0 "[ . 1 . 2]" 1
722 1 68 VAL HB 1 71 TRP HE1 . . 5.500 5.219 4.391 5.603 0.103 9 0 "[ . 1 . 2]" 1
723 1 64 LEU HG 1 71 TRP HE1 . . 3.930 2.265 1.920 2.896 . 0 0 "[ . 1 . 2]" 1
724 1 31 ASP HB3 1 32 THR H . . 4.990 4.492 4.074 4.641 . 0 0 "[ . 1 . 2]" 1
725 1 29 SER HA 1 32 THR H . . 4.820 4.484 4.373 4.600 . 0 0 "[ . 1 . 2]" 1
726 1 30 HIS HA 1 32 THR H . . 5.200 4.475 4.365 4.548 . 0 0 "[ . 1 . 2]" 1
727 1 65 TYR QD 1 71 TRP HE1 . . 4.250 3.291 2.931 3.640 . 0 0 "[ . 1 . 2]" 1
728 1 65 TYR HA 1 71 TRP HE1 . . 3.560 2.561 2.422 2.611 . 0 0 "[ . 1 . 2]" 1
729 1 64 LEU HA 1 71 TRP HE1 . . 5.110 4.760 4.293 5.126 0.016 14 0 "[ . 1 . 2]" 1
730 1 65 TYR HB3 1 71 TRP HE1 . . 5.500 5.492 5.375 5.545 0.045 13 0 "[ . 1 . 2]" 1
731 1 64 LEU MD1 1 71 TRP HE1 . . 4.570 3.075 2.444 3.570 . 0 0 "[ . 1 . 2]" 1
732 1 64 LEU MD2 1 71 TRP HE1 . . 4.570 3.254 2.658 3.911 . 0 0 "[ . 1 . 2]" 1
733 1 53 THR MG 1 71 TRP HE1 . . 4.080 3.294 2.796 3.824 . 0 0 "[ . 1 . 2]" 1
734 1 29 SER HB2 1 32 THR H . . 4.850 3.343 2.400 4.227 . 0 0 "[ . 1 . 2]" 1
735 1 31 ASP H 1 32 THR H . . 3.000 2.604 2.225 2.878 . 0 0 "[ . 1 . 2]" 1
736 1 29 SER HB3 1 32 THR H . . 4.850 2.976 2.207 3.838 . 0 0 "[ . 1 . 2]" 1
737 1 32 THR H 1 32 THR HB . . 4.160 3.469 3.131 3.818 . 0 0 "[ . 1 . 2]" 1
738 1 32 THR H 1 115 THR MG . . 4.200 3.290 2.587 3.892 . 0 0 "[ . 1 . 2]" 1
739 1 32 THR H 1 32 THR MG . . 4.170 3.818 3.394 4.060 . 0 0 "[ . 1 . 2]" 1
740 1 32 THR H 1 33 ILE H . . 4.530 4.339 4.181 4.477 . 0 0 "[ . 1 . 2]" 1
741 1 31 ASP HB2 1 32 THR H . . 4.990 4.304 3.792 4.597 . 0 0 "[ . 1 . 2]" 1
742 1 32 THR H 1 87 LEU MD1 . . 4.940 3.232 2.822 3.821 . 0 0 "[ . 1 . 2]" 1
743 1 38 ILE MD 1 80 ASN HD22 . . 4.990 4.574 3.620 4.973 . 0 0 "[ . 1 . 2]" 1
744 1 80 ASN QB 1 80 ASN HD22 . . 3.740 3.243 3.213 3.333 . 0 0 "[ . 1 . 2]" 1
745 1 52 TYR QE 1 74 VAL H . . 4.850 4.473 4.011 4.841 . 0 0 "[ . 1 . 2]" 1
746 1 38 ILE MD 1 80 ASN HD21 . . 4.990 3.974 3.179 4.977 . 0 0 "[ . 1 . 2]" 1
747 1 80 ASN HA 1 80 ASN HD22 . . 4.830 4.124 3.644 4.445 . 0 0 "[ . 1 . 2]" 1
748 1 51 GLN HA 1 74 VAL H . . 4.870 4.335 4.007 4.590 . 0 0 "[ . 1 . 2]" 1
749 1 73 ILE HA 1 74 VAL H . . 3.070 2.243 2.193 2.375 . 0 0 "[ . 1 . 2]" 1
750 1 74 VAL H 1 74 VAL HB . . 3.530 2.719 2.662 2.762 . 0 0 "[ . 1 . 2]" 1
751 1 50 LEU H 1 74 VAL H . . 4.040 2.849 2.453 3.147 . 0 0 "[ . 1 . 2]" 1
752 1 49 GLU HA 1 74 VAL H . . 4.450 4.378 4.032 4.486 0.036 19 0 "[ . 1 . 2]" 1
753 1 73 ILE HG12 1 74 VAL H . . 4.990 4.919 4.759 5.037 0.047 12 0 "[ . 1 . 2]" 1
754 1 74 VAL H 1 74 VAL MG1 . . 4.020 3.862 3.815 3.891 . 0 0 "[ . 1 . 2]" 1
755 1 102 GLN H 1 103 ALA H . . 3.860 2.733 2.678 2.920 . 0 0 "[ . 1 . 2]" 1
756 1 43 PHE H 1 43 PHE QD . . 3.790 2.328 1.897 3.073 . 0 0 "[ . 1 . 2]" 1
757 1 43 PHE H 1 45 ILE H . . 4.860 4.010 3.731 4.462 . 0 0 "[ . 1 . 2]" 1
758 1 13 LEU H 1 14 THR H . . 3.250 2.087 1.786 3.350 0.100 20 0 "[ . 1 . 2]" 1
759 1 79 GLN H 1 80 ASN H . . 4.540 4.420 4.397 4.441 . 0 0 "[ . 1 . 2]" 1
760 1 115 THR HB 1 116 ASN H . . 3.420 2.216 1.994 2.527 . 0 0 "[ . 1 . 2]" 1
761 1 37 TRP HZ2 1 79 GLN H . . 4.160 3.479 3.165 3.672 . 0 0 "[ . 1 . 2]" 1
762 1 87 LEU HB3 1 88 GLN H . . 3.900 2.101 1.933 2.435 . 0 0 "[ . 1 . 2]" 1
763 1 87 LEU MD1 1 88 GLN H . . 4.590 4.267 4.046 4.513 . 0 0 "[ . 1 . 2]" 1
764 1 103 ALA H 1 104 GLY H . . 3.010 2.876 2.722 3.001 . 0 0 "[ . 1 . 2]" 1
765 1 62 ILE H 1 63 SER H . . 3.670 2.907 2.680 3.172 . 0 0 "[ . 1 . 2]" 1
766 1 90 GLY HA2 1 91 THR HA . . 5.150 4.355 4.327 4.411 . 0 0 "[ . 1 . 2]" 1
767 1 90 GLY HA2 1 117 SER HA . . 5.400 3.649 2.724 5.038 . 0 0 "[ . 1 . 2]" 1
768 1 90 GLY HA3 1 91 THR HA . . 5.150 4.588 4.557 4.609 . 0 0 "[ . 1 . 2]" 1
769 1 90 GLY HA3 1 117 SER HA . . 5.400 3.316 2.708 4.851 . 0 0 "[ . 1 . 2]" 1
770 1 100 ILE MD 1 105 SER HB2 . . 4.790 4.085 3.555 4.806 0.016 16 0 "[ . 1 . 2]" 1
771 1 96 ILE MD 1 110 PRO QD . . 4.490 3.167 2.734 3.573 . 0 0 "[ . 1 . 2]" 1
772 1 96 ILE MD 1 110 PRO HB3 . . 3.100 2.022 1.949 2.219 . 0 0 "[ . 1 . 2]" 1
773 1 49 GLU H 1 100 ILE MD . . 3.920 3.466 2.912 3.890 . 0 0 "[ . 1 . 2]" 1
774 1 100 ILE H 1 100 ILE MD . . 3.710 2.906 1.893 3.711 0.001 7 0 "[ . 1 . 2]" 1
775 1 48 TYR HA 1 100 ILE MD . . 4.050 3.529 2.807 4.065 0.015 19 0 "[ . 1 . 2]" 1
776 1 100 ILE HA 1 100 ILE MD . . 3.950 3.646 3.237 3.939 . 0 0 "[ . 1 . 2]" 1
777 1 100 ILE MD 1 105 SER HB3 . . 4.790 3.997 3.512 4.794 0.004 6 0 "[ . 1 . 2]" 1
778 1 49 GLU HB2 1 100 ILE MD . . 3.860 2.007 1.861 2.218 . 0 0 "[ . 1 . 2]" 1
779 1 95 PHE QE 1 113 LEU HB2 . . 4.790 2.486 2.246 2.902 . 0 0 "[ . 1 . 2]" 1
780 1 95 PHE QE 1 113 LEU HB3 . . 4.790 3.814 3.391 4.414 . 0 0 "[ . 1 . 2]" 1
781 1 33 ILE MD 1 113 LEU HB3 . . 4.500 3.425 3.028 3.738 . 0 0 "[ . 1 . 2]" 1
782 1 96 ILE H 1 96 ILE MD . . 4.420 4.137 3.915 4.328 . 0 0 "[ . 1 . 2]" 1
783 1 96 ILE MD 1 111 THR H . . 4.530 4.266 4.059 4.479 . 0 0 "[ . 1 . 2]" 1
784 1 61 PHE QE 1 96 ILE MD . . 4.670 4.011 3.555 4.662 . 0 0 "[ . 1 . 2]" 1
785 1 61 PHE HZ 1 96 ILE MD . . 4.470 3.379 2.663 3.989 . 0 0 "[ . 1 . 2]" 1
786 1 71 TRP HZ2 1 96 ILE MD . . 4.990 3.963 3.743 4.138 . 0 0 "[ . 1 . 2]" 1
787 1 71 TRP HH2 1 96 ILE MD . . 3.130 2.212 1.982 2.720 . 0 0 "[ . 1 . 2]" 1
788 1 96 ILE MD 1 110 PRO HA . . 3.760 2.712 2.426 2.861 . 0 0 "[ . 1 . 2]" 1
789 1 96 ILE HA 1 96 ILE MD . . 3.920 3.822 3.796 3.850 . 0 0 "[ . 1 . 2]" 1
790 1 33 ILE MD 1 95 PHE QE . . 2.980 2.230 1.982 2.499 . 0 0 "[ . 1 . 2]" 1
791 1 33 ILE HA 1 33 ILE MD . . 4.290 3.791 3.704 3.864 . 0 0 "[ . 1 . 2]" 1
792 1 55 PHE HA 1 94 ILE MD . . 4.670 4.016 3.416 4.281 . 0 0 "[ . 1 . 2]" 1
793 1 33 ILE MD 1 115 THR HA . . 3.950 3.477 3.233 3.950 0.000 4 0 "[ . 1 . 2]" 1
794 1 94 ILE MD 1 111 THR H . . 5.500 5.291 4.845 5.502 0.002 11 0 "[ . 1 . 2]" 1
795 1 33 ILE MD 1 113 LEU H . . 5.500 5.069 4.524 5.369 . 0 0 "[ . 1 . 2]" 1
796 1 94 ILE MD 1 113 LEU H . . 5.500 5.452 5.226 5.600 0.100 13 0 "[ . 1 . 2]" 1
797 1 61 PHE QE 1 94 ILE MD . . 3.500 2.379 1.901 3.187 . 0 0 "[ . 1 . 2]" 1
798 1 55 PHE QD 1 94 ILE MD . . 3.370 1.902 1.765 2.061 . 0 0 "[ . 1 . 2]" 1
799 1 94 ILE HA 1 94 ILE MD . . 3.990 3.797 3.713 3.859 . 0 0 "[ . 1 . 2]" 1
800 1 55 PHE HB3 1 94 ILE MD . . 4.030 3.668 3.127 4.024 . 0 0 "[ . 1 . 2]" 1
801 1 55 PHE HB2 1 94 ILE MD . . 3.800 2.530 1.955 2.784 . 0 0 "[ . 1 . 2]" 1
802 1 94 ILE MD 1 110 PRO HB3 . . 4.000 3.726 3.394 3.930 . 0 0 "[ . 1 . 2]" 1
803 1 94 ILE MD 1 110 PRO HB2 . . 3.590 3.085 2.675 3.258 . 0 0 "[ . 1 . 2]" 1
804 1 33 ILE MD 1 113 LEU HB2 . . 4.500 3.202 2.732 3.420 . 0 0 "[ . 1 . 2]" 1
805 1 28 ALA HA 1 33 ILE MD . . 4.270 3.459 3.179 3.696 . 0 0 "[ . 1 . 2]" 1
806 1 38 ILE H 1 38 ILE MD . . 4.900 4.385 3.544 4.731 . 0 0 "[ . 1 . 2]" 1
807 1 21 ILE MD 1 95 PHE H . . 5.230 4.363 4.103 4.621 . 0 0 "[ . 1 . 2]" 1
808 1 21 ILE MD 1 37 TRP HE3 . . 5.400 4.678 4.351 4.960 . 0 0 "[ . 1 . 2]" 1
809 1 21 ILE HA 1 21 ILE MD . . 4.010 3.853 3.808 3.887 . 0 0 "[ . 1 . 2]" 1
810 1 21 ILE MD 1 95 PHE HB3 . . 3.690 3.430 3.080 3.710 0.020 11 0 "[ . 1 . 2]" 1
811 1 38 ILE HB 1 38 ILE MD . . 3.240 2.262 2.085 3.194 . 0 0 "[ . 1 . 2]" 1
812 1 21 ILE MD 1 111 THR H . . 3.860 3.130 2.954 3.296 . 0 0 "[ . 1 . 2]" 1
813 1 21 ILE H 1 21 ILE MD . . 3.650 3.491 3.173 3.649 . 0 0 "[ . 1 . 2]" 1
814 1 21 ILE MD 1 97 VAL H . . 3.640 2.081 1.881 2.494 . 0 0 "[ . 1 . 2]" 1
815 1 21 ILE MD 1 110 PRO HA . . 4.330 3.984 3.686 4.227 . 0 0 "[ . 1 . 2]" 1
816 1 21 ILE MD 1 96 ILE HA . . 3.200 2.399 2.116 2.680 . 0 0 "[ . 1 . 2]" 1
817 1 21 ILE MD 1 95 PHE HB2 . . 3.630 3.311 3.045 3.625 . 0 0 "[ . 1 . 2]" 1
818 1 21 ILE HB 1 21 ILE MD . . 3.210 2.325 2.171 2.419 . 0 0 "[ . 1 . 2]" 1
819 1 21 ILE MD 1 35 VAL MG2 . . 4.560 4.326 3.870 4.561 0.001 19 0 "[ . 1 . 2]" 1
820 1 21 ILE MD 1 97 VAL MG1 . . 4.630 4.448 4.218 4.638 0.008 9 0 "[ . 1 . 2]" 1
821 1 54 ILE MD 1 93 TYR QE . . 3.800 3.275 3.011 3.537 . 0 0 "[ . 1 . 2]" 1
822 1 53 THR HA 1 54 ILE MD . . 5.000 4.731 4.521 4.977 . 0 0 "[ . 1 . 2]" 1
823 1 54 ILE MD 1 91 THR HB . . 5.340 5.285 5.132 5.348 0.008 6 0 "[ . 1 . 2]" 1
824 1 54 ILE MD 1 88 GLN QG . . 3.930 2.873 2.400 3.753 . 0 0 "[ . 1 . 2]" 1
825 1 54 ILE MD 1 55 PHE H . . 5.500 5.260 5.049 5.433 . 0 0 "[ . 1 . 2]" 1
826 1 54 ILE HA 1 54 ILE MD . . 3.870 3.844 3.810 3.879 0.009 4 0 "[ . 1 . 2]" 1
827 1 54 ILE MD 1 88 GLN HB2 . . 4.180 4.097 3.864 4.185 0.005 8 0 "[ . 1 . 2]" 1
828 1 54 ILE MD 1 54 ILE MG . . 2.720 2.288 2.162 2.440 . 0 0 "[ . 1 . 2]" 1
829 1 50 LEU HB2 1 74 VAL HB . . 4.110 3.707 3.345 4.087 . 0 0 "[ . 1 . 2]" 1
830 1 50 LEU HB3 1 74 VAL HB . . 4.110 2.523 2.025 2.756 . 0 0 "[ . 1 . 2]" 1
831 1 21 ILE MD 1 37 TRP HB3 . . 5.240 4.371 4.141 4.591 . 0 0 "[ . 1 . 2]" 1
832 1 21 ILE MD 1 37 TRP HA . . 5.500 5.313 5.150 5.483 . 0 0 "[ . 1 . 2]" 1
833 1 103 ALA MB 1 104 GLY HA2 . . 4.310 4.157 4.081 4.303 . 0 0 "[ . 1 . 2]" 1
834 1 9 GLY QA 1 10 LEU HG . . 5.500 4.275 3.096 5.488 . 0 0 "[ . 1 . 2]" 1
835 1 103 ALA MB 1 104 GLY HA3 . . 4.010 3.614 3.539 3.737 . 0 0 "[ . 1 . 2]" 1
836 1 62 ILE HA 1 62 ILE MD . . 3.380 2.021 1.895 2.138 . 0 0 "[ . 1 . 2]" 1
837 1 39 SER HB3 1 45 ILE MD . . 4.220 3.795 2.937 4.148 . 0 0 "[ . 1 . 2]" 1
838 1 45 ILE MD 1 48 TYR HB2 . . 5.500 5.499 5.463 5.536 0.036 11 0 "[ . 1 . 2]" 1
839 1 73 ILE MD 1 74 VAL H . . 4.980 4.713 3.373 4.967 . 0 0 "[ . 1 . 2]" 1
840 1 52 TYR H 1 73 ILE MD . . 5.070 4.679 3.069 5.061 . 0 0 "[ . 1 . 2]" 1
841 1 72 MET H 1 73 ILE MD . . 4.500 3.804 3.504 4.022 . 0 0 "[ . 1 . 2]" 1
842 1 71 TRP H 1 73 ILE MD . . 5.500 4.676 4.233 5.520 0.020 12 0 "[ . 1 . 2]" 1
843 1 51 GLN HE21 1 73 ILE MD . . 5.420 4.129 3.241 5.136 . 0 0 "[ . 1 . 2]" 1
844 1 51 GLN HA 1 73 ILE MD . . 4.320 3.949 1.893 4.335 0.015 9 0 "[ . 1 . 2]" 1
845 1 73 ILE HA 1 73 ILE MD . . 3.520 3.135 1.872 3.421 . 0 0 "[ . 1 . 2]" 1
846 1 72 MET HA 1 73 ILE MD . . 4.030 2.907 2.616 3.767 . 0 0 "[ . 1 . 2]" 1
847 1 71 TRP QB 1 73 ILE MD . . 3.580 2.857 2.406 3.174 . 0 0 "[ . 1 . 2]" 1
848 1 51 GLN HB3 1 73 ILE MD . . 4.810 4.106 2.242 4.659 . 0 0 "[ . 1 . 2]" 1
849 1 61 PHE QD 1 62 ILE MD . . 3.990 2.747 1.976 3.634 . 0 0 "[ . 1 . 2]" 1
850 1 62 ILE MD 1 65 TYR QD . . 4.450 3.443 2.891 3.977 . 0 0 "[ . 1 . 2]" 1
851 1 62 ILE HB 1 62 ILE MD . . 3.380 3.216 3.193 3.226 . 0 0 "[ . 1 . 2]" 1
852 1 45 ILE MD 1 46 SER H . . 5.300 5.191 4.986 5.323 0.023 17 0 "[ . 1 . 2]" 1
853 1 17 ASN H 1 45 ILE MD . . 4.780 4.339 3.854 4.611 . 0 0 "[ . 1 . 2]" 1
854 1 45 ILE H 1 45 ILE MD . . 4.040 3.520 3.436 3.632 . 0 0 "[ . 1 . 2]" 1
855 1 45 ILE MD 1 48 TYR QE . . 3.610 2.691 2.593 2.845 . 0 0 "[ . 1 . 2]" 1
856 1 16 PRO HA 1 45 ILE MD . . 4.760 4.643 4.309 4.765 0.005 12 0 "[ . 1 . 2]" 1
857 1 42 GLU HA 1 45 ILE MD . . 3.130 2.201 1.972 2.431 . 0 0 "[ . 1 . 2]" 1
858 1 45 ILE MD 1 101 ASN HB3 . . 4.700 4.581 4.319 4.721 0.021 9 0 "[ . 1 . 2]" 1
859 1 45 ILE HB 1 45 ILE MD . . 3.340 2.453 2.385 2.524 . 0 0 "[ . 1 . 2]" 1
860 1 45 ILE MD 1 45 ILE MG . . 2.910 1.960 1.900 2.060 . 0 0 "[ . 1 . 2]" 1
861 1 93 TYR HB3 1 95 PHE QE . . 4.130 2.454 2.005 2.741 . 0 0 "[ . 1 . 2]" 1
862 1 55 PHE QD 1 92 ARG HD3 . . 4.270 3.693 3.352 4.117 . 0 0 "[ . 1 . 2]" 1
863 1 92 ARG HB2 1 92 ARG HD3 . . 3.970 3.531 3.316 3.787 . 0 0 "[ . 1 . 2]" 1
864 1 92 ARG HB3 1 92 ARG HD3 . . 3.500 2.664 2.353 3.478 . 0 0 "[ . 1 . 2]" 1
865 1 92 ARG HD3 1 114 LYS HG3 . . 4.600 4.008 3.458 4.535 . 0 0 "[ . 1 . 2]" 1
866 1 55 PHE HB3 1 92 ARG HD2 . . 4.850 3.454 3.037 3.984 . 0 0 "[ . 1 . 2]" 1
867 1 92 ARG HD2 1 112 ARG HD2 . . 4.930 4.049 3.020 4.930 0.000 11 0 "[ . 1 . 2]" 1
868 1 55 PHE HB2 1 92 ARG HD2 . . 5.500 4.953 4.518 5.333 . 0 0 "[ . 1 . 2]" 1
869 1 92 ARG HB2 1 92 ARG HD2 . . 3.930 2.666 2.438 2.802 . 0 0 "[ . 1 . 2]" 1
870 1 92 ARG HB3 1 92 ARG HD2 . . 3.660 2.513 2.274 2.767 . 0 0 "[ . 1 . 2]" 1
871 1 92 ARG HD2 1 114 LYS HG3 . . 5.500 5.241 4.831 5.536 0.036 15 0 "[ . 1 . 2]" 1
872 1 92 ARG H 1 92 ARG HD2 . . 4.780 4.586 4.350 4.768 . 0 0 "[ . 1 . 2]" 1
873 1 55 PHE QD 1 92 ARG HD2 . . 4.210 2.259 1.996 2.614 . 0 0 "[ . 1 . 2]" 1
874 1 35 VAL MG1 1 95 PHE HB2 . . 4.060 3.177 2.848 3.427 . 0 0 "[ . 1 . 2]" 1
875 1 35 VAL MG1 1 95 PHE HB3 . . 4.030 3.046 2.786 3.415 . 0 0 "[ . 1 . 2]" 1
876 1 112 ARG H 1 112 ARG HD2 . . 5.470 4.748 4.240 5.308 . 0 0 "[ . 1 . 2]" 1
877 1 96 ILE HB 1 97 VAL H . . 4.760 4.453 4.408 4.496 . 0 0 "[ . 1 . 2]" 1
878 1 51 GLN HB2 1 96 ILE HB . . 3.790 2.371 2.164 2.620 . 0 0 "[ . 1 . 2]" 1
879 1 33 ILE HB 1 95 PHE QE . . 4.730 3.478 3.302 3.634 . 0 0 "[ . 1 . 2]" 1
880 1 33 ILE HB 1 35 VAL MG2 . . 4.730 4.002 3.839 4.225 . 0 0 "[ . 1 . 2]" 1
881 1 33 ILE HB 1 87 LEU MD2 . . 5.050 4.035 3.677 4.457 . 0 0 "[ . 1 . 2]" 1
882 1 37 TRP HH2 1 82 TYR HB2 . . 4.160 2.048 1.996 2.157 . 0 0 "[ . 1 . 2]" 1
883 1 50 LEU MD1 1 82 TYR HB2 . . 4.880 3.946 3.347 4.386 . 0 0 "[ . 1 . 2]" 1
884 1 77 ILE MG 1 82 TYR HB3 . . 4.250 3.785 3.525 4.093 . 0 0 "[ . 1 . 2]" 1
885 1 55 PHE QD 1 112 ARG HD2 . . 4.750 4.499 3.305 4.762 0.012 7 0 "[ . 1 . 2]" 1
886 1 92 ARG HD3 1 112 ARG HD2 . . 4.620 3.299 2.354 4.325 . 0 0 "[ . 1 . 2]" 1
887 1 112 ARG QB 1 112 ARG HD2 . . 3.480 2.294 2.053 3.258 . 0 0 "[ . 1 . 2]" 1
888 1 94 ILE MD 1 112 ARG HD2 . . 4.260 3.839 2.847 4.279 0.019 7 0 "[ . 1 . 2]" 1
889 1 94 ILE MG 1 112 ARG HD2 . . 5.500 5.302 4.545 5.662 0.162 15 0 "[ . 1 . 2]" 1
890 1 92 ARG HD3 1 112 ARG HD3 . . 4.620 4.230 3.006 4.648 0.028 15 0 "[ . 1 . 2]" 1
891 1 94 ILE MD 1 112 ARG HD3 . . 4.260 2.865 2.204 3.697 . 0 0 "[ . 1 . 2]" 1
892 1 112 ARG H 1 112 ARG HD3 . . 5.470 4.863 4.068 5.305 . 0 0 "[ . 1 . 2]" 1
893 1 55 PHE QD 1 112 ARG HD3 . . 4.750 4.072 3.154 4.756 0.006 12 0 "[ . 1 . 2]" 1
894 1 92 ARG HD2 1 112 ARG HD3 . . 4.930 4.627 3.175 4.954 0.024 15 0 "[ . 1 . 2]" 1
895 1 112 ARG QB 1 112 ARG HD3 . . 3.480 3.014 2.488 3.398 . 0 0 "[ . 1 . 2]" 1
896 1 94 ILE MG 1 112 ARG HD3 . . 5.500 4.669 3.989 5.554 0.054 7 0 "[ . 1 . 2]" 1
897 1 37 TRP HH2 1 82 TYR HB3 . . 4.140 2.312 2.065 2.543 . 0 0 "[ . 1 . 2]" 1
898 1 12 TYR HA 1 13 LEU QB . . 4.270 4.002 3.799 4.352 0.082 20 0 "[ . 1 . 2]" 1
899 1 13 LEU QB 1 14 THR MG . . 4.570 4.521 3.816 4.817 0.247 20 0 "[ . 1 . 2]" 1
900 1 106 ARG HA 1 106 ARG HD2 . . 3.730 2.401 2.008 3.596 . 0 0 "[ . 1 . 2]" 1
901 1 106 ARG HB2 1 106 ARG HD2 . . 3.990 2.831 2.284 3.658 . 0 0 "[ . 1 . 2]" 1
902 1 106 ARG HA 1 106 ARG HD3 . . 3.730 3.267 2.107 3.739 0.009 15 0 "[ . 1 . 2]" 1
903 1 106 ARG HB2 1 106 ARG HD3 . . 3.990 2.641 2.278 3.550 . 0 0 "[ . 1 . 2]" 1
904 1 22 ARG HD2 1 38 ILE MG . . 3.630 3.340 2.073 3.634 0.004 20 0 "[ . 1 . 2]" 1
905 1 22 ARG HD3 1 25 LEU MD1 . . 4.240 3.894 3.650 4.235 . 0 0 "[ . 1 . 2]" 1
906 1 25 LEU HB3 1 36 HIS HE1 . . 5.210 4.303 3.946 4.679 . 0 0 "[ . 1 . 2]" 1
907 1 22 ARG HD3 1 23 GLU H . . 5.500 5.203 3.938 5.548 0.048 5 0 "[ . 1 . 2]" 1
908 1 78 LYS H 1 78 LYS QE . . 5.500 4.786 3.691 5.340 . 0 0 "[ . 1 . 2]" 1
909 1 77 ILE H 1 78 LYS QE . . 5.500 4.397 3.351 5.217 . 0 0 "[ . 1 . 2]" 1
910 1 52 TYR HB3 1 95 PHE QD . . 4.700 2.536 2.021 3.139 . 0 0 "[ . 1 . 2]" 1
911 1 38 ILE H 1 38 ILE HB . . 3.870 2.982 2.846 3.207 . 0 0 "[ . 1 . 2]" 1
912 1 38 ILE HB 1 39 SER H . . 4.200 4.107 3.748 4.202 0.002 11 0 "[ . 1 . 2]" 1
913 1 20 SER HB2 1 38 ILE HB . . 4.870 4.630 4.415 4.817 . 0 0 "[ . 1 . 2]" 1
914 1 78 LYS HA 1 78 LYS QE . . 4.560 3.926 2.148 4.586 0.026 11 0 "[ . 1 . 2]" 1
915 1 47 SER HB3 1 78 LYS QE . . 3.860 2.589 2.071 3.037 . 0 0 "[ . 1 . 2]" 1
916 1 78 LYS HB3 1 78 LYS QE . . 4.100 3.941 3.126 4.169 0.069 14 0 "[ . 1 . 2]" 1
917 1 78 LYS QE 1 78 LYS QG . . 2.980 2.230 2.048 2.418 . 0 0 "[ . 1 . 2]" 1
918 1 76 ASN HA 1 78 LYS QE . . 4.370 3.937 2.720 4.380 0.010 9 0 "[ . 1 . 2]" 1
919 1 47 SER HB2 1 78 LYS QE . . 4.310 3.392 2.543 3.910 . 0 0 "[ . 1 . 2]" 1
920 1 48 TYR HB3 1 77 ILE HB . . 4.280 2.975 2.811 3.160 . 0 0 "[ . 1 . 2]" 1
921 1 10 LEU HB2 1 11 ASP H . . 4.430 3.808 2.492 4.442 0.012 2 0 "[ . 1 . 2]" 1
922 1 64 LEU HB3 1 71 TRP HZ2 . . 5.450 4.954 4.456 5.394 . 0 0 "[ . 1 . 2]" 1
923 1 10 LEU HB3 1 11 ASP H . . 4.430 3.347 1.938 4.431 0.001 12 0 "[ . 1 . 2]" 1
924 1 91 THR HA 1 114 LYS QE . . 4.660 3.971 3.081 4.636 . 0 0 "[ . 1 . 2]" 1
925 1 114 LYS QE 1 115 THR H . . 4.540 3.940 3.408 4.534 . 0 0 "[ . 1 . 2]" 1
926 1 92 ARG H 1 114 LYS QE . . 4.790 4.119 3.261 4.807 0.017 19 0 "[ . 1 . 2]" 1
927 1 91 THR H 1 114 LYS QE . . 4.650 4.155 3.125 4.667 0.017 12 0 "[ . 1 . 2]" 1
928 1 114 LYS HA 1 114 LYS QE . . 4.600 3.698 3.403 4.311 . 0 0 "[ . 1 . 2]" 1
929 1 114 LYS QE 1 114 LYS HG3 . . 3.530 3.084 2.202 3.481 . 0 0 "[ . 1 . 2]" 1
930 1 31 ASP HA 1 87 LEU HB2 . . 4.570 2.378 2.163 2.653 . 0 0 "[ . 1 . 2]" 1
931 1 87 LEU HB2 1 115 THR MG . . 4.170 3.376 3.002 3.690 . 0 0 "[ . 1 . 2]" 1
932 1 87 LEU HB3 1 115 THR MG . . 4.170 3.335 2.901 3.575 . 0 0 "[ . 1 . 2]" 1
933 1 98 LYS HE2 1 105 SER HB3 . . 5.500 5.042 4.034 5.504 0.004 14 0 "[ . 1 . 2]" 1
934 1 98 LYS QB 1 98 LYS HE2 . . 3.560 2.795 1.997 3.521 . 0 0 "[ . 1 . 2]" 1
935 1 98 LYS HE2 1 98 LYS HG3 . . 4.210 3.595 2.100 4.222 0.012 12 0 "[ . 1 . 2]" 1
936 1 98 LYS HE2 1 98 LYS HG2 . . 4.210 3.230 2.496 4.229 0.019 14 0 "[ . 1 . 2]" 1
937 1 98 LYS HE2 1 100 ILE MD . . 4.150 3.546 2.278 4.220 0.070 18 0 "[ . 1 . 2]" 1
938 1 98 LYS HE2 1 105 SER HB2 . . 5.500 4.340 3.034 5.417 . 0 0 "[ . 1 . 2]" 1
939 1 98 LYS HE3 1 105 SER HB3 . . 5.500 4.494 2.829 5.516 0.016 8 0 "[ . 1 . 2]" 1
940 1 98 LYS HE3 1 105 SER HB2 . . 5.500 3.863 2.679 4.594 . 0 0 "[ . 1 . 2]" 1
941 1 98 LYS QB 1 98 LYS HE3 . . 3.560 2.851 1.962 3.553 . 0 0 "[ . 1 . 2]" 1
942 1 98 LYS HE3 1 98 LYS HG3 . . 4.210 3.454 2.488 4.226 0.016 16 0 "[ . 1 . 2]" 1
943 1 98 LYS HE3 1 98 LYS HG2 . . 4.210 2.879 2.306 4.218 0.008 13 0 "[ . 1 . 2]" 1
944 1 98 LYS HE3 1 100 ILE MD . . 4.150 3.207 1.969 4.186 0.036 14 0 "[ . 1 . 2]" 1
945 1 32 THR HB 1 85 HIS HA . . 4.730 4.577 4.344 4.727 . 0 0 "[ . 1 . 2]" 1
946 1 32 THR HB 1 83 THR MG . . 3.730 3.260 2.640 3.755 0.025 19 0 "[ . 1 . 2]" 1
947 1 11 ASP HB2 1 12 TYR H . . 4.690 4.027 2.675 4.620 . 0 0 "[ . 1 . 2]" 1
948 1 94 ILE H 1 94 ILE HB . . 3.670 2.469 2.388 2.563 . 0 0 "[ . 1 . 2]" 1
949 1 55 PHE QD 1 94 ILE HB . . 4.670 4.429 4.141 4.673 0.003 9 0 "[ . 1 . 2]" 1
950 1 55 PHE HB3 1 94 ILE HB . . 5.310 5.147 4.746 5.313 0.003 3 0 "[ . 1 . 2]" 1
951 1 55 PHE HB2 1 94 ILE HB . . 4.110 3.750 3.489 3.950 . 0 0 "[ . 1 . 2]" 1
952 1 94 ILE HB 1 94 ILE MD . . 3.480 2.450 2.361 2.560 . 0 0 "[ . 1 . 2]" 1
953 1 69 ASP H 1 69 ASP HB2 . . 3.790 2.637 2.231 3.668 . 0 0 "[ . 1 . 2]" 1
954 1 11 ASP H 1 11 ASP HB2 . . 4.150 2.877 2.306 3.746 . 0 0 "[ . 1 . 2]" 1
955 1 73 ILE HB 1 74 VAL H . . 4.520 3.889 3.439 4.037 . 0 0 "[ . 1 . 2]" 1
956 1 72 MET HA 1 73 ILE HB . . 4.810 4.586 4.476 4.806 . 0 0 "[ . 1 . 2]" 1
957 1 55 PHE HB3 1 94 ILE HG13 . . 4.430 3.082 2.689 3.434 . 0 0 "[ . 1 . 2]" 1
958 1 107 ASN HB3 1 108 SER H . . 4.590 3.899 3.132 4.466 . 0 0 "[ . 1 . 2]" 1
959 1 55 PHE HB2 1 94 ILE HG13 . . 4.160 2.161 1.993 2.486 . 0 0 "[ . 1 . 2]" 1
960 1 55 PHE HB3 1 92 ARG HB3 . . 4.400 2.336 1.993 2.651 . 0 0 "[ . 1 . 2]" 1
961 1 41 ASP HB2 1 42 GLU HA . . 5.500 5.139 4.275 5.704 0.204 17 0 "[ . 1 . 2]" 1
962 1 41 ASP HB3 1 42 GLU HA . . 5.500 4.617 4.375 5.597 0.097 13 0 "[ . 1 . 2]" 1
963 1 95 PHE H 1 111 THR HB . . 4.450 3.295 3.080 3.562 . 0 0 "[ . 1 . 2]" 1
964 1 111 THR HB 1 112 ARG H . . 4.660 4.420 4.344 4.482 . 0 0 "[ . 1 . 2]" 1
965 1 95 PHE HB2 1 111 THR HB . . 4.350 2.848 2.463 3.005 . 0 0 "[ . 1 . 2]" 1
966 1 21 ILE HB 1 111 THR HB . . 3.980 3.845 3.536 3.987 0.007 19 0 "[ . 1 . 2]" 1
967 1 111 THR HB 1 113 LEU MD1 . . 4.410 3.838 3.472 4.268 . 0 0 "[ . 1 . 2]" 1
968 1 61 PHE HB2 1 62 ILE H . . 4.480 3.887 3.561 4.223 . 0 0 "[ . 1 . 2]" 1
969 1 120 PHE QB 1 121 LYS H . . 4.200 3.259 2.605 3.724 . 0 0 "[ . 1 . 2]" 1
970 1 119 PRO HA 1 120 PHE QB . . 5.070 4.837 4.339 5.128 0.058 14 0 "[ . 1 . 2]" 1
971 1 120 PHE QB 1 121 LYS HA . . 5.370 4.453 4.080 4.977 . 0 0 "[ . 1 . 2]" 1
972 1 41 ASP HB2 1 42 GLU H . . 4.970 4.458 3.541 4.570 . 0 0 "[ . 1 . 2]" 1
973 1 95 PHE HB3 1 111 THR HB . . 4.590 4.253 3.854 4.487 . 0 0 "[ . 1 . 2]" 1
974 1 89 SER HA 1 91 THR HB . . 5.230 4.921 4.807 5.165 . 0 0 "[ . 1 . 2]" 1
975 1 110 PRO HA 1 111 THR HB . . 5.500 4.599 4.453 4.706 . 0 0 "[ . 1 . 2]" 1
976 1 21 ILE MG 1 111 THR HB . . 3.130 2.518 2.186 2.805 . 0 0 "[ . 1 . 2]" 1
977 1 21 ILE MD 1 111 THR HB . . 3.350 2.422 2.009 2.950 . 0 0 "[ . 1 . 2]" 1
978 1 91 THR HB 1 93 TYR QE . . 3.550 2.184 2.005 2.489 . 0 0 "[ . 1 . 2]" 1
979 1 91 THR HB 1 115 THR HG1 . . 4.120 3.829 3.574 4.122 0.002 5 0 "[ . 1 . 2]" 1
980 1 61 PHE HB2 1 94 ILE MD . . 5.500 4.878 3.979 5.534 0.034 19 0 "[ . 1 . 2]" 1
981 1 37 TRP HZ2 1 77 ILE HB . . 4.920 4.562 4.301 4.773 . 0 0 "[ . 1 . 2]" 1
982 1 48 TYR HA 1 77 ILE HB . . 4.880 4.302 4.011 4.507 . 0 0 "[ . 1 . 2]" 1
983 1 48 TYR HB2 1 77 ILE HB . . 4.020 2.575 2.331 2.768 . 0 0 "[ . 1 . 2]" 1
984 1 54 ILE HB 1 55 PHE H . . 4.430 4.306 4.113 4.414 . 0 0 "[ . 1 . 2]" 1
985 1 54 ILE HB 1 93 TYR QE . . 5.030 4.757 4.550 4.976 . 0 0 "[ . 1 . 2]" 1
986 1 53 THR HA 1 54 ILE HB . . 4.790 4.663 4.578 4.740 . 0 0 "[ . 1 . 2]" 1
987 1 116 ASN H 1 116 ASN HB3 . . 4.100 3.388 2.592 3.650 . 0 0 "[ . 1 . 2]" 1
988 1 29 SER HA 1 116 ASN HB3 . . 5.500 4.610 3.940 5.216 . 0 0 "[ . 1 . 2]" 1
989 1 30 HIS HA 1 116 ASN HB3 . . 5.500 4.881 3.948 5.471 . 0 0 "[ . 1 . 2]" 1
990 1 63 SER HA 1 66 ASN HB2 . . 4.320 2.963 2.398 3.558 . 0 0 "[ . 1 . 2]" 1
991 1 62 ILE MG 1 66 ASN HB3 . . 4.640 4.411 4.058 4.689 0.049 19 0 "[ . 1 . 2]" 1
992 1 66 ASN HB3 1 67 SER H . . 4.720 2.908 2.266 3.566 . 0 0 "[ . 1 . 2]" 1
993 1 45 ILE HB 1 47 SER HA . . 5.500 5.221 4.952 5.440 . 0 0 "[ . 1 . 2]" 1
994 1 43 PHE HB3 1 44 SER H . . 4.100 3.738 3.406 3.970 . 0 0 "[ . 1 . 2]" 1
995 1 29 SER HA 1 116 ASN HB2 . . 5.500 3.723 2.763 5.444 . 0 0 "[ . 1 . 2]" 1
996 1 30 HIS HA 1 116 ASN HB2 . . 5.500 3.873 2.842 5.399 . 0 0 "[ . 1 . 2]" 1
997 1 42 GLU HA 1 45 ILE HB . . 3.920 2.975 2.407 3.274 . 0 0 "[ . 1 . 2]" 1
998 1 14 THR HB 1 15 ALA H . . 4.190 4.003 3.737 4.322 0.132 20 0 "[ . 1 . 2]" 1
999 1 49 GLU H 1 49 GLU HG2 . . 5.050 4.775 4.431 4.987 . 0 0 "[ . 1 . 2]" 1
1000 1 49 GLU H 1 49 GLU HG3 . . 5.050 4.660 4.243 4.989 . 0 0 "[ . 1 . 2]" 1
1001 1 76 ASN H 1 76 ASN HB3 . . 4.110 3.885 3.002 4.107 . 0 0 "[ . 1 . 2]" 1
1002 1 53 THR HB 1 72 MET H . . 4.390 3.415 2.992 3.663 . 0 0 "[ . 1 . 2]" 1
1003 1 53 THR HB 1 71 TRP HA . . 3.790 2.762 2.245 3.597 . 0 0 "[ . 1 . 2]" 1
1004 1 23 GLU HA 1 23 GLU HG2 . . 3.900 2.719 2.123 3.683 . 0 0 "[ . 1 . 2]" 1
1005 1 23 GLU HG2 1 111 THR MG . . 3.880 2.349 1.808 3.126 . 0 0 "[ . 1 . 2]" 1
1006 1 54 ILE MG 1 56 THR HB . . 4.750 4.290 2.975 4.711 . 0 0 "[ . 1 . 2]" 1
1007 1 82 TYR HA 1 83 THR HB . . 4.800 4.737 4.586 4.803 0.003 7 0 "[ . 1 . 2]" 1
1008 1 32 THR MG 1 83 THR HB . . 4.720 4.265 3.825 4.712 . 0 0 "[ . 1 . 2]" 1
1009 1 22 ARG HB3 1 36 HIS HB2 . . 4.920 4.224 3.971 4.607 . 0 0 "[ . 1 . 2]" 1
1010 1 26 CYS HA 1 36 HIS HB2 . . 4.860 3.727 3.055 4.092 . 0 0 "[ . 1 . 2]" 1
1011 1 37 TRP HE1 1 80 ASN QB . . 4.630 4.170 3.987 4.420 . 0 0 "[ . 1 . 2]" 1
1012 1 80 ASN QB 1 81 HIS HB3 . . 4.250 4.074 3.992 4.138 . 0 0 "[ . 1 . 2]" 1
1013 1 23 GLU H 1 23 GLU HG2 . . 4.100 3.833 3.522 4.092 . 0 0 "[ . 1 . 2]" 1
1014 1 23 GLU H 1 23 GLU HG3 . . 4.100 2.898 2.158 4.309 0.209 5 0 "[ . 1 . 2]" 1
1015 1 23 GLU HG3 1 113 LEU MD2 . . 4.330 3.768 2.375 4.297 . 0 0 "[ . 1 . 2]" 1
1016 1 114 LYS H 1 114 LYS HB2 . . 3.900 2.538 2.384 2.666 . 0 0 "[ . 1 . 2]" 1
1017 1 114 LYS HB2 1 114 LYS QE . . 4.280 3.465 3.190 3.865 . 0 0 "[ . 1 . 2]" 1
1018 1 114 LYS H 1 114 LYS HB3 . . 3.900 3.651 3.547 3.755 . 0 0 "[ . 1 . 2]" 1
1019 1 114 LYS HB3 1 114 LYS QE . . 4.280 2.256 1.984 2.722 . 0 0 "[ . 1 . 2]" 1
1020 1 34 THR HB 1 35 VAL H . . 4.510 4.270 4.138 4.357 . 0 0 "[ . 1 . 2]" 1
1021 1 26 CYS HA 1 34 THR HB . . 4.570 4.031 3.609 4.554 . 0 0 "[ . 1 . 2]" 1
1022 1 33 ILE HA 1 34 THR HB . . 4.840 4.730 4.559 4.844 0.004 3 0 "[ . 1 . 2]" 1
1023 1 27 THR MG 1 34 THR HB . . 4.110 3.349 2.915 3.777 . 0 0 "[ . 1 . 2]" 1
1024 1 25 LEU HB3 1 36 HIS HB3 . . 4.520 3.534 2.960 3.940 . 0 0 "[ . 1 . 2]" 1
1025 1 25 LEU HB2 1 36 HIS HB3 . . 4.210 3.127 2.603 3.344 . 0 0 "[ . 1 . 2]" 1
1026 1 25 LEU HB2 1 36 HIS HB2 . . 3.990 2.062 1.996 2.179 . 0 0 "[ . 1 . 2]" 1
1027 1 25 LEU HA 1 36 HIS HB2 . . 5.500 4.746 4.319 5.014 . 0 0 "[ . 1 . 2]" 1
1028 1 80 ASN QB 1 81 HIS HA . . 5.500 4.601 4.464 4.633 . 0 0 "[ . 1 . 2]" 1
1029 1 22 ARG HB2 1 36 HIS HB2 . . 4.920 2.727 2.512 3.114 . 0 0 "[ . 1 . 2]" 1
1030 1 25 LEU HB3 1 36 HIS HB2 . . 4.320 3.074 2.716 3.372 . 0 0 "[ . 1 . 2]" 1
1031 1 109 GLU H 1 109 GLU HG2 . . 3.850 3.131 2.231 3.830 . 0 0 "[ . 1 . 2]" 1
1032 1 109 GLU HA 1 109 GLU HG2 . . 3.750 2.711 2.242 3.726 . 0 0 "[ . 1 . 2]" 1
1033 1 109 GLU HG2 1 110 PRO QD . . 4.350 3.481 2.700 4.347 . 0 0 "[ . 1 . 2]" 1
1034 1 109 GLU HA 1 109 GLU HG3 . . 3.750 3.331 2.441 3.744 . 0 0 "[ . 1 . 2]" 1
1035 1 109 GLU HG3 1 110 PRO QD . . 4.350 3.989 3.141 4.291 . 0 0 "[ . 1 . 2]" 1
1036 1 42 GLU H 1 42 GLU HG2 . . 3.910 2.288 1.924 2.657 . 0 0 "[ . 1 . 2]" 1
1037 1 42 GLU HA 1 42 GLU HG3 . . 3.910 3.729 3.599 3.899 . 0 0 "[ . 1 . 2]" 1
1038 1 24 GLU HG2 1 25 LEU HG . . 4.220 2.775 2.092 3.263 . 0 0 "[ . 1 . 2]" 1
1039 1 24 GLU HA 1 24 GLU HG3 . . 4.040 3.747 3.582 4.160 0.120 17 0 "[ . 1 . 2]" 1
1040 1 97 VAL HA 1 98 LYS QB . . 4.450 4.026 3.985 4.085 . 0 0 "[ . 1 . 2]" 1
1041 1 96 ILE MG 1 98 LYS QB . . 4.660 3.307 3.135 3.532 . 0 0 "[ . 1 . 2]" 1
1042 1 98 LYS QB 1 100 ILE MD . . 5.090 3.402 2.604 4.084 . 0 0 "[ . 1 . 2]" 1
1043 1 49 GLU H 1 98 LYS QB . . 4.410 3.943 3.515 4.422 0.012 19 0 "[ . 1 . 2]" 1
1044 1 18 PRO HA 1 106 ARG HB2 . . 4.860 4.342 4.114 4.692 . 0 0 "[ . 1 . 2]" 1
1045 1 15 ALA MB 1 106 ARG HB3 . . 5.240 4.803 4.427 5.114 . 0 0 "[ . 1 . 2]" 1
1046 1 106 ARG H 1 106 ARG HB3 . . 4.190 2.825 2.754 2.927 . 0 0 "[ . 1 . 2]" 1
1047 1 99 ALA H 1 106 ARG HB2 . . 5.500 5.109 4.801 5.462 . 0 0 "[ . 1 . 2]" 1
1048 1 100 ILE HG12 1 105 SER HB2 . . 4.570 3.403 2.681 4.586 0.016 16 0 "[ . 1 . 2]" 1
1049 1 98 LYS HG3 1 105 SER HB3 . . 4.840 4.332 3.420 4.851 0.011 11 0 "[ . 1 . 2]" 1
1050 1 98 LYS HG2 1 105 SER HB3 . . 4.840 3.740 2.597 4.158 . 0 0 "[ . 1 . 2]" 1
1051 1 100 ILE HG13 1 105 SER HB3 . . 4.570 3.029 1.982 3.928 . 0 0 "[ . 1 . 2]" 1
1052 1 100 ILE HA 1 105 SER HB3 . . 4.640 3.109 2.586 4.458 . 0 0 "[ . 1 . 2]" 1
1053 1 98 LYS HG2 1 105 SER HB2 . . 4.840 2.845 2.253 3.972 . 0 0 "[ . 1 . 2]" 1
1054 1 88 GLN HA 1 88 GLN QG . . 3.670 2.869 2.450 3.106 . 0 0 "[ . 1 . 2]" 1
1055 1 88 GLN QG 1 89 SER H . . 4.740 4.393 3.921 4.737 . 0 0 "[ . 1 . 2]" 1
1056 1 88 GLN H 1 88 GLN QG . . 3.830 2.599 2.062 2.863 . 0 0 "[ . 1 . 2]" 1
1057 1 88 GLN QG 1 91 THR HB . . 4.710 4.345 4.085 4.714 0.004 9 0 "[ . 1 . 2]" 1
1058 1 87 LEU HA 1 88 GLN QG . . 4.070 3.499 3.303 3.729 . 0 0 "[ . 1 . 2]" 1
1059 1 49 GLU HB2 1 50 LEU H . . 4.720 4.300 3.754 4.467 . 0 0 "[ . 1 . 2]" 1
1060 1 49 GLU HB3 1 50 LEU H . . 4.720 3.911 3.041 4.145 . 0 0 "[ . 1 . 2]" 1
1061 1 49 GLU HB3 1 100 ILE MD . . 3.860 2.909 2.286 3.391 . 0 0 "[ . 1 . 2]" 1
1062 1 35 VAL HB 1 37 TRP HE3 . . 4.200 3.287 3.033 3.423 . 0 0 "[ . 1 . 2]" 1
1063 1 35 VAL HB 1 37 TRP HZ3 . . 3.640 2.542 2.258 2.754 . 0 0 "[ . 1 . 2]" 1
1064 1 35 VAL HB 1 36 HIS H . . 4.960 4.163 4.014 4.344 . 0 0 "[ . 1 . 2]" 1
1065 1 35 VAL HB 1 95 PHE QD . . 5.220 4.111 3.486 4.579 . 0 0 "[ . 1 . 2]" 1
1066 1 21 ILE MD 1 97 VAL HB . . 4.110 3.275 2.974 3.640 . 0 0 "[ . 1 . 2]" 1
1067 1 97 VAL HB 1 108 SER H . . 4.830 4.659 4.442 4.826 . 0 0 "[ . 1 . 2]" 1
1068 1 96 ILE HA 1 97 VAL HB . . 4.830 4.568 4.538 4.606 . 0 0 "[ . 1 . 2]" 1
1069 1 19 PRO HB2 1 97 VAL HB . . 4.480 3.307 2.915 3.686 . 0 0 "[ . 1 . 2]" 1
1070 1 97 VAL HB 1 98 LYS H . . 4.640 4.174 4.021 4.329 . 0 0 "[ . 1 . 2]" 1
1071 1 19 PRO HG2 1 97 VAL HB . . 4.080 2.722 2.347 3.014 . 0 0 "[ . 1 . 2]" 1
1072 1 58 GLN HA 1 58 GLN HG2 . . 3.840 3.139 2.178 4.172 0.332 18 0 "[ . 1 . 2]" 1
1073 1 58 GLN HA 1 58 GLN HG3 . . 3.840 2.914 2.211 3.834 . 0 0 "[ . 1 . 2]" 1
1074 1 51 GLN QG 1 73 ILE HA . . 4.480 3.228 2.773 3.757 . 0 0 "[ . 1 . 2]" 1
1075 1 51 GLN QG 1 73 ILE MG . . 3.590 2.898 2.365 3.145 . 0 0 "[ . 1 . 2]" 1
1076 1 51 GLN QG 1 73 ILE MD . . 3.980 3.411 1.753 3.953 . 0 0 "[ . 1 . 2]" 1
1077 1 51 GLN QG 1 52 TYR H . . 4.360 4.297 4.179 4.440 0.080 12 0 "[ . 1 . 2]" 1
1078 1 51 GLN QG 1 73 ILE HG12 . . 4.070 3.196 2.788 4.148 0.078 8 0 "[ . 1 . 2]" 1
1079 1 51 GLN QG 1 71 TRP HE3 . . 4.580 4.362 4.164 4.532 . 0 0 "[ . 1 . 2]" 1
1080 1 50 LEU H 1 74 VAL HB . . 4.160 3.688 3.331 3.852 . 0 0 "[ . 1 . 2]" 1
1081 1 74 VAL HB 1 77 ILE MG . . 5.500 5.290 5.106 5.505 0.005 1 0 "[ . 1 . 2]" 1
1082 1 78 LYS H 1 79 GLN QG . . 4.700 3.599 3.169 4.489 . 0 0 "[ . 1 . 2]" 1
1083 1 79 GLN HA 1 79 GLN QG . . 3.590 3.361 3.329 3.463 . 0 0 "[ . 1 . 2]" 1
1084 1 79 GLN QG 1 82 TYR QD . . 4.440 3.774 3.446 4.145 . 0 0 "[ . 1 . 2]" 1
1085 1 118 GLN HA 1 118 GLN QG . . 3.710 2.230 2.131 2.693 . 0 0 "[ . 1 . 2]" 1
1086 1 79 GLN QG 1 82 TYR HB2 . . 4.500 3.204 2.987 3.365 . 0 0 "[ . 1 . 2]" 1
1087 1 72 MET H 1 72 MET HG2 . . 4.660 4.275 2.313 4.604 . 0 0 "[ . 1 . 2]" 1
1088 1 72 MET HG2 1 73 ILE H . . 4.620 4.250 2.547 4.625 0.005 5 0 "[ . 1 . 2]" 1
1089 1 72 MET HA 1 72 MET HG2 . . 3.650 3.164 2.696 3.670 0.020 11 0 "[ . 1 . 2]" 1
1090 1 30 HIS HB3 1 118 GLN QG . . 4.830 4.814 4.340 4.962 0.132 14 0 "[ . 1 . 2]" 1
1091 1 39 SER HB2 1 45 ILE MD . . 4.220 3.847 3.385 4.223 0.003 5 0 "[ . 1 . 2]" 1
1092 1 39 SER H 1 39 SER HB3 . . 3.960 3.351 2.601 3.894 . 0 0 "[ . 1 . 2]" 1
1093 1 85 HIS HB3 1 86 GLY QA . . 4.720 3.809 3.722 3.924 . 0 0 "[ . 1 . 2]" 1
1094 1 85 HIS HB2 1 86 GLY H . . 4.310 4.099 3.891 4.311 0.001 7 0 "[ . 1 . 2]" 1
1095 1 85 HIS HB2 1 86 GLY QA . . 4.900 4.576 4.386 4.720 . 0 0 "[ . 1 . 2]" 1
1096 1 16 PRO HB2 1 17 ASN H . . 4.080 3.439 3.133 3.666 . 0 0 "[ . 1 . 2]" 1
1097 1 16 PRO HB2 1 45 ILE MD . . 4.110 3.224 3.005 3.412 . 0 0 "[ . 1 . 2]" 1
1098 1 94 ILE MG 1 110 PRO HB3 . . 3.860 2.639 2.505 2.756 . 0 0 "[ . 1 . 2]" 1
1099 1 82 TYR QD 1 84 VAL HB . . 4.630 4.547 4.388 4.628 . 0 0 "[ . 1 . 2]" 1
1100 1 33 ILE H 1 84 VAL HB . . 3.980 3.270 3.067 3.577 . 0 0 "[ . 1 . 2]" 1
1101 1 84 VAL HB 1 95 PHE QE . . 4.480 3.208 2.801 3.482 . 0 0 "[ . 1 . 2]" 1
1102 1 33 ILE HB 1 84 VAL HB . . 4.070 3.164 2.846 3.416 . 0 0 "[ . 1 . 2]" 1
1103 1 84 VAL HB 1 87 LEU MD2 . . 4.170 3.427 2.977 4.029 . 0 0 "[ . 1 . 2]" 1
1104 1 84 VAL HB 1 87 LEU MD1 . . 3.650 2.426 2.116 2.865 . 0 0 "[ . 1 . 2]" 1
1105 1 16 PRO HB3 1 17 ASN H . . 4.080 3.941 3.744 4.092 0.012 9 0 "[ . 1 . 2]" 1
1106 1 15 ALA MB 1 16 PRO HB3 . . 5.500 5.204 4.921 5.397 . 0 0 "[ . 1 . 2]" 1
1107 1 16 PRO HB3 1 45 ILE MD . . 4.110 3.938 3.617 4.126 0.016 9 0 "[ . 1 . 2]" 1
1108 1 39 SER HB2 1 40 ASP H . . 4.260 3.450 2.589 4.244 . 0 0 "[ . 1 . 2]" 1
1109 1 47 SER HB3 1 78 LYS QG . . 4.780 4.374 3.284 4.780 0.000 9 0 "[ . 1 . 2]" 1
1110 1 39 SER HB3 1 40 ASP H . . 4.260 3.570 2.738 4.075 . 0 0 "[ . 1 . 2]" 1
1111 1 47 SER HB2 1 78 LYS QG . . 4.890 4.373 3.326 4.815 . 0 0 "[ . 1 . 2]" 1
1112 1 47 SER HB2 1 77 ILE HB . . 5.500 4.506 3.938 4.814 . 0 0 "[ . 1 . 2]" 1
1113 1 47 SER HB2 1 78 LYS QD . . 4.820 4.351 3.834 4.819 . 0 0 "[ . 1 . 2]" 1
1114 1 37 TRP HB3 1 38 ILE H . . 4.320 3.989 3.874 4.174 . 0 0 "[ . 1 . 2]" 1
1115 1 21 ILE HA 1 37 TRP HB3 . . 4.560 3.067 2.839 3.360 . 0 0 "[ . 1 . 2]" 1
1116 1 78 LYS HB3 1 79 GLN H . . 5.030 4.468 4.435 4.515 . 0 0 "[ . 1 . 2]" 1
1117 1 94 ILE HG12 1 110 PRO HB2 . . 4.380 4.091 3.757 4.381 0.001 18 0 "[ . 1 . 2]" 1
1118 1 94 ILE MG 1 110 PRO HB2 . . 3.870 2.255 1.983 2.553 . 0 0 "[ . 1 . 2]" 1
1119 1 19 PRO HB2 1 37 TRP HD1 . . 4.530 4.279 4.021 4.481 . 0 0 "[ . 1 . 2]" 1
1120 1 47 SER HB3 1 48 TYR H . . 3.860 3.794 3.679 3.865 0.005 17 0 "[ . 1 . 2]" 1
1121 1 47 SER HB3 1 76 ASN HA . . 4.720 4.430 3.449 4.690 . 0 0 "[ . 1 . 2]" 1
1122 1 20 SER HB2 1 38 ILE H . . 4.540 3.487 3.135 3.769 . 0 0 "[ . 1 . 2]" 1
1123 1 20 SER HB2 1 38 ILE HG13 . . 5.090 4.674 4.443 5.098 0.008 9 0 "[ . 1 . 2]" 1
1124 1 20 SER HB2 1 21 ILE H . . 4.770 4.556 4.469 4.594 . 0 0 "[ . 1 . 2]" 1
1125 1 20 SER HB2 1 38 ILE HG12 . . 5.090 4.620 3.955 5.101 0.011 5 0 "[ . 1 . 2]" 1
1126 1 20 SER HB3 1 21 ILE H . . 3.950 3.780 3.534 3.911 . 0 0 "[ . 1 . 2]" 1
1127 1 20 SER HB3 1 38 ILE H . . 4.450 3.925 3.675 4.119 . 0 0 "[ . 1 . 2]" 1
1128 1 20 SER H 1 20 SER HB3 . . 3.720 3.561 3.510 3.613 . 0 0 "[ . 1 . 2]" 1
1129 1 20 SER HB3 1 38 ILE MG . . 3.460 2.425 2.332 2.553 . 0 0 "[ . 1 . 2]" 1
1130 1 20 SER HB3 1 38 ILE HB . . 5.040 5.039 4.985 5.071 0.031 8 0 "[ . 1 . 2]" 1
1131 1 91 THR HA 1 92 ARG HB2 . . 4.620 4.494 4.397 4.618 . 0 0 "[ . 1 . 2]" 1
1132 1 55 PHE HB3 1 92 ARG HB2 . . 4.190 2.783 2.414 3.001 . 0 0 "[ . 1 . 2]" 1
1133 1 119 PRO HB2 1 120 PHE HA . . 4.690 4.436 4.319 4.547 . 0 0 "[ . 1 . 2]" 1
1134 1 89 SER HB2 1 90 GLY H . . 3.940 3.106 2.623 3.949 0.009 19 0 "[ . 1 . 2]" 1
1135 1 89 SER HB2 1 115 THR HG1 . . 4.720 4.480 4.221 4.816 0.096 15 0 "[ . 1 . 2]" 1
1136 1 89 SER HB2 1 118 GLN QG . . 4.540 3.932 2.481 4.544 0.004 14 0 "[ . 1 . 2]" 1
1137 1 89 SER HB3 1 115 THR HG1 . . 4.720 4.479 4.013 4.729 0.009 10 0 "[ . 1 . 2]" 1
1138 1 51 GLN HB2 1 52 TYR H . . 4.490 4.274 3.936 4.362 . 0 0 "[ . 1 . 2]" 1
1139 1 51 GLN HB2 1 71 TRP QB . . 5.500 4.833 4.414 5.135 . 0 0 "[ . 1 . 2]" 1
1140 1 51 GLN HB3 1 96 ILE HB . . 4.720 3.615 3.317 3.828 . 0 0 "[ . 1 . 2]" 1
1141 1 68 VAL HB 1 69 ASP H . . 4.720 3.874 2.815 4.625 . 0 0 "[ . 1 . 2]" 1
1142 1 92 ARG H 1 92 ARG HB3 . . 4.130 3.549 3.504 3.589 . 0 0 "[ . 1 . 2]" 1
1143 1 55 PHE HB2 1 92 ARG HB3 . . 4.450 3.878 3.483 4.315 . 0 0 "[ . 1 . 2]" 1
1144 1 52 TYR H 1 72 MET HB3 . . 4.830 4.097 2.870 4.814 . 0 0 "[ . 1 . 2]" 1
1145 1 72 MET HB3 1 73 ILE H . . 4.310 3.195 2.717 4.189 . 0 0 "[ . 1 . 2]" 1
1146 1 89 SER HB3 1 118 GLN QG . . 4.540 4.081 2.294 4.553 0.013 3 0 "[ . 1 . 2]" 1
1147 1 44 SER HB2 1 45 ILE H . . 4.370 2.983 2.485 4.125 . 0 0 "[ . 1 . 2]" 1
1148 1 44 SER HB2 1 101 ASN HD21 . . 4.810 3.919 2.529 4.454 . 0 0 "[ . 1 . 2]" 1
1149 1 44 SER HB3 1 45 ILE H . . 4.370 3.491 2.660 4.047 . 0 0 "[ . 1 . 2]" 1
1150 1 44 SER HB3 1 101 ASN HD21 . . 4.810 3.643 2.583 4.156 . 0 0 "[ . 1 . 2]" 1
1151 1 46 SER H 1 46 SER QB . . 3.330 2.243 2.161 2.442 . 0 0 "[ . 1 . 2]" 1
1152 1 46 SER QB 1 101 ASN HB2 . . 4.830 4.487 3.778 4.838 0.008 11 0 "[ . 1 . 2]" 1
1153 1 46 SER QB 1 101 ASN HB3 . . 5.070 4.629 4.175 4.894 . 0 0 "[ . 1 . 2]" 1
1154 1 46 SER QB 1 78 LYS QE . . 4.970 4.804 4.214 5.013 0.043 11 0 "[ . 1 . 2]" 1
1155 1 46 SER QB 1 100 ILE HB . . 4.800 4.316 3.884 4.767 . 0 0 "[ . 1 . 2]" 1
1156 1 45 ILE MG 1 46 SER QB . . 4.260 3.861 3.726 4.055 . 0 0 "[ . 1 . 2]" 1
1157 1 44 SER HB3 1 101 ASN HD22 . . 5.500 5.208 4.291 5.507 0.007 6 0 "[ . 1 . 2]" 1
1158 1 67 SER HA 1 68 VAL HA . . 5.500 4.699 4.478 5.315 . 0 0 "[ . 1 . 2]" 1
1159 1 68 VAL HA 1 69 ASP HA . . 5.500 4.798 4.479 4.972 . 0 0 "[ . 1 . 2]" 1
1160 1 68 VAL HA 1 71 TRP HE1 . . 4.190 3.299 2.895 3.662 . 0 0 "[ . 1 . 2]" 1
1161 1 68 VAL HA 1 71 TRP HD1 . . 3.480 2.035 1.978 2.239 . 0 0 "[ . 1 . 2]" 1
1162 1 81 HIS HB3 1 82 TYR H . . 4.140 4.079 3.983 4.143 0.003 1 0 "[ . 1 . 2]" 1
1163 1 36 HIS HD2 1 81 HIS HB3 . . 4.860 3.603 3.144 3.980 . 0 0 "[ . 1 . 2]" 1
1164 1 18 PRO HB2 1 106 ARG HG2 . . 4.540 3.912 3.666 4.338 . 0 0 "[ . 1 . 2]" 1
1165 1 18 PRO HB2 1 106 ARG HG3 . . 4.510 4.052 3.836 4.330 . 0 0 "[ . 1 . 2]" 1
1166 1 111 THR HA 1 112 ARG QB . . 4.630 4.366 4.168 4.745 0.115 15 0 "[ . 1 . 2]" 1
1167 1 67 SER QB 1 69 ASP H . . 4.620 3.717 2.662 4.251 . 0 0 "[ . 1 . 2]" 1
1168 1 67 SER QB 1 70 SER H . . 4.840 3.835 3.304 4.618 . 0 0 "[ . 1 . 2]" 1
1169 1 18 PRO HB3 1 108 SER HA . . 4.080 3.845 3.592 4.059 . 0 0 "[ . 1 . 2]" 1
1170 1 18 PRO HB3 1 106 ARG HG2 . . 4.540 2.270 2.025 2.717 . 0 0 "[ . 1 . 2]" 1
1171 1 88 GLN HB3 1 91 THR MG . . 4.230 4.013 3.734 4.235 0.005 20 0 "[ . 1 . 2]" 1
1172 1 88 GLN HB3 1 91 THR HB . . 4.410 3.769 3.484 4.279 . 0 0 "[ . 1 . 2]" 1
1173 1 18 PRO HB2 1 108 SER HA . . 4.080 3.647 3.410 3.855 . 0 0 "[ . 1 . 2]" 1
1174 1 18 PRO HB2 1 19 PRO HD3 . . 4.880 4.551 4.450 4.642 . 0 0 "[ . 1 . 2]" 1
1175 1 79 GLN H 1 79 GLN HB2 . . 3.860 3.850 3.794 3.889 0.029 7 0 "[ . 1 . 2]" 1
1176 1 77 ILE MG 1 79 GLN HB2 . . 4.920 4.542 4.431 4.650 . 0 0 "[ . 1 . 2]" 1
1177 1 67 SER QB 1 71 TRP HE1 . . 5.500 5.310 4.671 5.501 0.001 13 0 "[ . 1 . 2]" 1
1178 1 67 SER QB 1 71 TRP HD1 . . 5.240 4.811 4.324 5.215 . 0 0 "[ . 1 . 2]" 1
1179 1 79 GLN HB3 1 81 HIS H . . 4.060 4.046 3.992 4.082 0.022 5 0 "[ . 1 . 2]" 1
1180 1 79 GLN HB3 1 80 ASN H . . 3.740 3.644 3.541 3.759 0.019 19 0 "[ . 1 . 2]" 1
1181 1 119 PRO HA 1 120 PHE H . . 3.470 2.982 2.542 3.570 0.100 19 0 "[ . 1 . 2]" 1
1182 1 62 ILE HA 1 65 TYR HB3 . . 4.240 2.635 2.367 2.939 . 0 0 "[ . 1 . 2]" 1
1183 1 21 ILE HA 1 37 TRP HB2 . . 4.210 3.835 3.426 4.136 . 0 0 "[ . 1 . 2]" 1
1184 1 30 HIS HB3 1 119 PRO HA . . 4.450 3.283 2.678 4.512 0.062 14 0 "[ . 1 . 2]" 1
1185 1 77 ILE HA 1 82 TYR QD . . 4.860 3.912 3.689 4.391 . 0 0 "[ . 1 . 2]" 1
1186 1 77 ILE HA 1 79 GLN HB3 . . 5.490 5.437 5.311 5.518 0.028 11 0 "[ . 1 . 2]" 1
1187 1 77 ILE HA 1 78 LYS HB2 . . 4.900 4.715 4.601 4.914 0.014 9 0 "[ . 1 . 2]" 1
1188 1 77 ILE HA 1 77 ILE HG13 . . 3.590 3.181 3.073 3.349 . 0 0 "[ . 1 . 2]" 1
1189 1 77 ILE HA 1 78 LYS HA . . 4.750 4.400 4.392 4.415 . 0 0 "[ . 1 . 2]" 1
1190 1 77 ILE HA 1 77 ILE HG12 . . 3.740 2.510 2.393 2.610 . 0 0 "[ . 1 . 2]" 1
1191 1 61 PHE QD 1 62 ILE HA . . 4.320 3.720 2.736 4.300 . 0 0 "[ . 1 . 2]" 1
1192 1 62 ILE HA 1 65 TYR HB2 . . 4.240 3.583 3.173 3.968 . 0 0 "[ . 1 . 2]" 1
1193 1 62 ILE HA 1 62 ILE HG12 . . 3.810 3.076 2.870 3.309 . 0 0 "[ . 1 . 2]" 1
1194 1 54 ILE HA 1 94 ILE H . . 4.180 4.047 3.733 4.197 0.017 11 0 "[ . 1 . 2]" 1
1195 1 54 ILE HA 1 93 TYR QD . . 4.190 3.506 3.345 3.692 . 0 0 "[ . 1 . 2]" 1
1196 1 54 ILE HA 1 93 TYR HA . . 3.610 2.926 2.631 3.059 . 0 0 "[ . 1 . 2]" 1
1197 1 54 ILE HA 1 55 PHE HB2 . . 4.880 4.563 4.382 4.778 . 0 0 "[ . 1 . 2]" 1
1198 1 54 ILE HA 1 91 THR MG . . 4.430 3.687 3.424 3.866 . 0 0 "[ . 1 . 2]" 1
1199 1 30 HIS HB2 1 118 GLN QG . . 5.480 5.003 4.080 5.424 . 0 0 "[ . 1 . 2]" 1
1200 1 30 HIS HB3 1 118 GLN HA . . 4.450 3.327 2.508 3.884 . 0 0 "[ . 1 . 2]" 1
1201 1 42 GLU H 1 42 GLU HB2 . . 3.970 3.762 3.619 3.869 . 0 0 "[ . 1 . 2]" 1
1202 1 21 ILE HG13 1 97 VAL MG2 . . 4.220 3.422 3.037 3.814 . 0 0 "[ . 1 . 2]" 1
1203 1 16 PRO HA 1 17 ASN H . . 3.250 2.173 2.151 2.226 . 0 0 "[ . 1 . 2]" 1
1204 1 16 PRO HA 1 101 ASN HD22 . . 4.560 3.275 2.694 4.297 . 0 0 "[ . 1 . 2]" 1
1205 1 16 PRO HA 1 99 ALA MB . . 4.680 4.506 4.306 4.645 . 0 0 "[ . 1 . 2]" 1
1206 1 23 GLU QB 1 24 GLU HA . . 4.290 3.944 3.847 4.037 . 0 0 "[ . 1 . 2]" 1
1207 1 23 GLU QB 1 26 CYS HG . . 4.520 3.847 3.327 4.531 0.011 2 0 "[ . 1 . 2]" 1
1208 1 23 GLU QB 1 111 THR MG . . 4.050 3.772 2.974 4.045 . 0 0 "[ . 1 . 2]" 1
1209 1 23 GLU QB 1 113 LEU MD2 . . 3.890 3.504 3.068 3.882 . 0 0 "[ . 1 . 2]" 1
1210 1 21 ILE MG 1 23 GLU QB . . 4.850 4.605 3.852 4.844 . 0 0 "[ . 1 . 2]" 1
1211 1 114 LYS QD 1 115 THR H . . 5.500 4.617 2.642 5.381 . 0 0 "[ . 1 . 2]" 1
1212 1 114 LYS H 1 114 LYS QD . . 4.950 4.753 4.557 4.918 . 0 0 "[ . 1 . 2]" 1
1213 1 114 LYS HA 1 114 LYS QD . . 4.400 3.745 2.476 4.102 . 0 0 "[ . 1 . 2]" 1
1214 1 92 ARG HD3 1 114 LYS QD . . 4.680 4.100 3.373 4.589 . 0 0 "[ . 1 . 2]" 1
1215 1 54 ILE HG13 1 55 PHE H . . 4.880 4.773 4.686 4.895 0.015 15 0 "[ . 1 . 2]" 1
1216 1 53 THR HA 1 54 ILE HG13 . . 4.410 3.826 3.703 3.994 . 0 0 "[ . 1 . 2]" 1
1217 1 54 ILE HA 1 54 ILE HG13 . . 3.850 2.678 2.588 2.808 . 0 0 "[ . 1 . 2]" 1
1218 1 54 ILE HG12 1 56 THR MG . . 5.150 4.860 4.530 5.134 . 0 0 "[ . 1 . 2]" 1
1219 1 54 ILE HG12 1 93 TYR QE . . 4.280 2.857 2.622 3.079 . 0 0 "[ . 1 . 2]" 1
1220 1 54 ILE HA 1 54 ILE HG12 . . 3.910 2.695 2.557 2.773 . 0 0 "[ . 1 . 2]" 1
1221 1 51 GLN HB3 1 71 TRP QB . . 4.900 3.254 2.985 3.497 . 0 0 "[ . 1 . 2]" 1
1222 1 68 VAL HB 1 71 TRP QB . . 5.180 4.301 2.597 5.179 . 0 0 "[ . 1 . 2]" 1
1223 1 52 TYR H 1 71 TRP QB . . 4.860 4.139 3.553 4.494 . 0 0 "[ . 1 . 2]" 1
1224 1 118 GLN HB2 1 119 PRO HD2 . . 3.960 3.696 3.547 3.913 . 0 0 "[ . 1 . 2]" 1
1225 1 118 GLN HB3 1 119 PRO HD2 . . 3.960 2.584 1.987 3.798 . 0 0 "[ . 1 . 2]" 1
1226 1 92 ARG HD2 1 114 LYS QD . . 5.060 4.840 4.505 5.073 0.013 13 0 "[ . 1 . 2]" 1
1227 1 33 ILE HG12 1 87 LEU MD1 . . 4.340 3.344 3.187 3.524 . 0 0 "[ . 1 . 2]" 1
1228 1 26 CYS HB2 1 36 HIS H . . 4.600 3.563 2.995 4.562 . 0 0 "[ . 1 . 2]" 1
1229 1 26 CYS HB3 1 36 HIS H . . 4.600 3.109 2.394 4.405 . 0 0 "[ . 1 . 2]" 1
1230 1 109 GLU HB3 1 110 PRO QD . . 4.280 2.297 2.060 3.423 . 0 0 "[ . 1 . 2]" 1
1231 1 28 ALA MB 1 33 ILE HA . . 4.300 4.182 3.998 4.262 . 0 0 "[ . 1 . 2]" 1
1232 1 109 GLU HB2 1 110 PRO QD . . 4.280 3.459 2.028 3.739 . 0 0 "[ . 1 . 2]" 1
1233 1 78 LYS H 1 78 LYS QD . . 4.890 4.074 2.580 4.607 . 0 0 "[ . 1 . 2]" 1
1234 1 47 SER HA 1 78 LYS QD . . 4.420 3.344 2.603 4.421 0.001 14 0 "[ . 1 . 2]" 1
1235 1 78 LYS HA 1 78 LYS QD . . 3.610 2.633 2.186 3.631 0.021 4 0 "[ . 1 . 2]" 1
1236 1 47 SER HB3 1 78 LYS QD . . 4.520 3.966 3.573 4.519 . 0 0 "[ . 1 . 2]" 1
1237 1 78 LYS HB3 1 78 LYS QD . . 3.480 2.309 2.054 3.193 . 0 0 "[ . 1 . 2]" 1
1238 1 96 ILE HG13 1 110 PRO HA . . 4.150 2.097 2.007 2.355 . 0 0 "[ . 1 . 2]" 1
1239 1 96 ILE HG13 1 110 PRO HB3 . . 4.200 3.250 2.946 3.536 . 0 0 "[ . 1 . 2]" 1
1240 1 22 ARG H 1 22 ARG HB2 . . 4.200 2.484 2.431 2.555 . 0 0 "[ . 1 . 2]" 1
1241 1 100 ILE HA 1 105 SER HB2 . . 4.640 3.648 2.707 4.382 . 0 0 "[ . 1 . 2]" 1
1242 1 18 PRO HA 1 19 PRO HD2 . . 3.600 1.995 1.961 2.038 . 0 0 "[ . 1 . 2]" 1
1243 1 18 PRO HA 1 106 ARG HB3 . . 4.310 2.928 2.622 3.234 . 0 0 "[ . 1 . 2]" 1
1244 1 23 GLU HA 1 26 CYS HG . . 3.340 2.455 2.265 2.980 . 0 0 "[ . 1 . 2]" 1
1245 1 23 GLU HA 1 26 CYS HB2 . . 4.340 3.652 2.185 4.337 . 0 0 "[ . 1 . 2]" 1
1246 1 23 GLU HA 1 26 CYS HB3 . . 4.340 3.242 2.802 3.737 . 0 0 "[ . 1 . 2]" 1
1247 1 23 GLU HA 1 23 GLU HG3 . . 3.900 2.872 2.452 3.435 . 0 0 "[ . 1 . 2]" 1
1248 1 21 ILE MG 1 23 GLU HA . . 3.880 3.658 3.087 3.849 . 0 0 "[ . 1 . 2]" 1
1249 1 23 GLU HA 1 113 LEU MD1 . . 4.820 4.402 4.115 4.707 . 0 0 "[ . 1 . 2]" 1
1250 1 96 ILE HA 1 96 ILE HG13 . . 4.090 2.669 2.561 2.789 . 0 0 "[ . 1 . 2]" 1
1251 1 96 ILE HA 1 97 VAL HA . . 4.490 4.422 4.412 4.428 . 0 0 "[ . 1 . 2]" 1
1252 1 102 GLN QB 1 103 ALA MB . . 4.370 4.132 3.897 4.531 0.161 15 0 "[ . 1 . 2]" 1
1253 1 19 PRO HG3 1 97 VAL HB . . 4.470 3.161 2.635 3.493 . 0 0 "[ . 1 . 2]" 1
1254 1 19 PRO HG3 1 97 VAL MG1 . . 3.810 1.985 1.922 2.093 . 0 0 "[ . 1 . 2]" 1
1255 1 19 PRO HG2 1 99 ALA H . . 4.750 4.498 4.161 4.756 0.006 13 0 "[ . 1 . 2]" 1
1256 1 19 PRO HG2 1 48 TYR QE . . 4.470 4.402 4.159 4.487 0.017 19 0 "[ . 1 . 2]" 1
1257 1 19 PRO HG2 1 108 SER HA . . 4.540 4.438 4.341 4.544 0.004 12 0 "[ . 1 . 2]" 1
1258 1 18 PRO HA 1 19 PRO HG2 . . 4.560 4.193 4.165 4.227 . 0 0 "[ . 1 . 2]" 1
1259 1 19 PRO HG2 1 99 ALA MB . . 4.630 4.450 4.298 4.633 0.003 10 0 "[ . 1 . 2]" 1
1260 1 19 PRO HG2 1 21 ILE MD . . 5.500 4.541 4.102 4.799 . 0 0 "[ . 1 . 2]" 1
1261 1 94 ILE HG13 1 113 LEU H . . 4.860 4.582 4.261 4.862 0.002 9 0 "[ . 1 . 2]" 1
1262 1 71 TRP HH2 1 94 ILE HG13 . . 5.500 5.217 4.728 5.494 . 0 0 "[ . 1 . 2]" 1
1263 1 94 ILE HA 1 94 ILE HG13 . . 4.060 2.996 2.877 3.146 . 0 0 "[ . 1 . 2]" 1
1264 1 94 ILE H 1 94 ILE HG13 . . 3.930 2.555 2.316 2.762 . 0 0 "[ . 1 . 2]" 1
1265 1 53 THR MG 1 94 ILE HG13 . . 4.590 3.916 3.557 4.282 . 0 0 "[ . 1 . 2]" 1
1266 1 94 ILE HG12 1 110 PRO HB3 . . 5.500 5.270 4.958 5.491 . 0 0 "[ . 1 . 2]" 1
1267 1 94 ILE H 1 94 ILE HG12 . . 4.430 3.718 3.461 3.918 . 0 0 "[ . 1 . 2]" 1
1268 1 55 PHE HB2 1 94 ILE HG12 . . 4.440 3.744 3.446 4.104 . 0 0 "[ . 1 . 2]" 1
1269 1 96 ILE HG12 1 110 PRO HB3 . . 4.200 3.175 2.914 3.523 . 0 0 "[ . 1 . 2]" 1
1270 1 55 PHE HA 1 56 THR HA . . 4.670 4.392 4.368 4.409 . 0 0 "[ . 1 . 2]" 1
1271 1 62 ILE H 1 62 ILE HG13 . . 3.860 3.532 3.411 3.717 . 0 0 "[ . 1 . 2]" 1
1272 1 100 ILE HA 1 100 ILE HG12 . . 4.170 3.147 2.776 3.587 . 0 0 "[ . 1 . 2]" 1
1273 1 100 ILE HG12 1 105 SER HB3 . . 4.570 2.885 1.994 4.577 0.007 6 0 "[ . 1 . 2]" 1
1274 1 100 ILE HG13 1 101 ASN H . . 5.060 4.574 4.237 4.895 . 0 0 "[ . 1 . 2]" 1
1275 1 100 ILE H 1 100 ILE HG13 . . 4.340 3.080 2.594 3.521 . 0 0 "[ . 1 . 2]" 1
1276 1 100 ILE HG13 1 105 SER HB2 . . 4.570 3.119 2.199 4.389 . 0 0 "[ . 1 . 2]" 1
1277 1 100 ILE HA 1 100 ILE HG13 . . 4.170 2.576 2.338 2.838 . 0 0 "[ . 1 . 2]" 1
1278 1 45 ILE HA 1 101 ASN HD21 . . 4.690 4.336 3.818 4.679 . 0 0 "[ . 1 . 2]" 1
1279 1 45 ILE HA 1 101 ASN HB2 . . 4.320 3.084 2.795 3.249 . 0 0 "[ . 1 . 2]" 1
1280 1 45 ILE HA 1 101 ASN HB3 . . 4.000 2.070 1.981 2.396 . 0 0 "[ . 1 . 2]" 1
1281 1 45 ILE HA 1 45 ILE HG13 . . 4.250 3.036 2.908 3.173 . 0 0 "[ . 1 . 2]" 1
1282 1 61 PHE HB3 1 62 ILE HG12 . . 4.290 3.545 3.083 3.981 . 0 0 "[ . 1 . 2]" 1
1283 1 61 PHE QD 1 62 ILE HG12 . . 4.570 3.799 3.114 4.573 0.003 9 0 "[ . 1 . 2]" 1
1284 1 62 ILE HA 1 62 ILE HG13 . . 3.820 3.709 3.565 3.784 . 0 0 "[ . 1 . 2]" 1
1285 1 24 GLU H 1 24 GLU HB2 . . 4.000 3.609 3.584 3.639 . 0 0 "[ . 1 . 2]" 1
1286 1 24 GLU H 1 24 GLU HB3 . . 4.000 2.579 2.450 2.737 . 0 0 "[ . 1 . 2]" 1
1287 1 38 ILE H 1 38 ILE HG12 . . 4.890 4.751 4.501 4.846 . 0 0 "[ . 1 . 2]" 1
1288 1 38 ILE HG12 1 39 SER H . . 4.220 3.895 1.992 4.227 0.007 11 0 "[ . 1 . 2]" 1
1289 1 106 ARG H 1 106 ARG HG2 . . 5.500 4.955 4.871 5.041 . 0 0 "[ . 1 . 2]" 1
1290 1 106 ARG HG2 1 107 ASN H . . 5.500 4.745 3.849 5.032 . 0 0 "[ . 1 . 2]" 1
1291 1 45 ILE HA 1 45 ILE HG12 . . 3.910 2.545 2.480 2.609 . 0 0 "[ . 1 . 2]" 1
1292 1 38 ILE H 1 38 ILE HG13 . . 4.890 4.429 4.362 4.770 . 0 0 "[ . 1 . 2]" 1
1293 1 42 GLU HA 1 45 ILE HG13 . . 4.050 2.683 2.368 2.944 . 0 0 "[ . 1 . 2]" 1
1294 1 61 PHE HA 1 61 PHE QD . . 3.630 2.495 2.063 3.063 . 0 0 "[ . 1 . 2]" 1
1295 1 61 PHE HA 1 64 LEU HB3 . . 3.840 3.192 2.817 3.589 . 0 0 "[ . 1 . 2]" 1
1296 1 14 THR HA 1 103 ALA MB . . 3.650 2.614 1.972 3.652 0.002 16 0 "[ . 1 . 2]" 1
1297 1 94 ILE MG 1 110 PRO HG2 . . 4.560 4.246 3.981 4.502 . 0 0 "[ . 1 . 2]" 1
1298 1 94 ILE MD 1 110 PRO HG2 . . 5.090 4.756 4.329 4.914 . 0 0 "[ . 1 . 2]" 1
1299 1 96 ILE MD 1 110 PRO HG2 . . 4.760 4.492 4.241 4.669 . 0 0 "[ . 1 . 2]" 1
1300 1 109 GLU HA 1 110 PRO HG3 . . 4.550 4.442 4.422 4.450 . 0 0 "[ . 1 . 2]" 1
1301 1 94 ILE MG 1 110 PRO HG3 . . 4.400 4.237 4.051 4.413 0.013 12 0 "[ . 1 . 2]" 1
1302 1 94 ILE MD 1 110 PRO HG3 . . 4.700 4.607 4.195 4.739 0.039 15 0 "[ . 1 . 2]" 1
1303 1 96 ILE MD 1 110 PRO HG3 . . 3.790 3.602 3.325 3.826 0.036 19 0 "[ . 1 . 2]" 1
1304 1 50 LEU HG 1 77 ILE MD . . 4.730 4.341 4.206 4.512 . 0 0 "[ . 1 . 2]" 1
1305 1 106 ARG HA 1 106 ARG HG3 . . 3.880 2.863 2.682 3.138 . 0 0 "[ . 1 . 2]" 1
1306 1 18 PRO HA 1 106 ARG HG3 . . 3.520 3.139 2.775 3.516 . 0 0 "[ . 1 . 2]" 1
1307 1 99 ALA H 1 106 ARG HG3 . . 5.500 5.197 4.884 5.510 0.010 19 0 "[ . 1 . 2]" 1
1308 1 16 PRO HG2 1 106 ARG H . . 4.340 2.551 2.307 2.800 . 0 0 "[ . 1 . 2]" 1
1309 1 18 PRO HB3 1 106 ARG HG3 . . 4.510 2.428 2.250 2.691 . 0 0 "[ . 1 . 2]" 1
1310 1 18 PRO HA 1 106 ARG HG2 . . 4.010 2.772 2.398 3.087 . 0 0 "[ . 1 . 2]" 1
1311 1 73 ILE HA 1 73 ILE HG12 . . 4.100 3.512 3.343 3.595 . 0 0 "[ . 1 . 2]" 1
1312 1 71 TRP QB 1 73 ILE HG12 . . 5.030 4.640 3.755 5.029 . 0 0 "[ . 1 . 2]" 1
1313 1 73 ILE HG13 1 74 VAL H . . 4.990 4.344 4.198 4.866 . 0 0 "[ . 1 . 2]" 1
1314 1 73 ILE HA 1 73 ILE HG13 . . 4.100 2.551 2.322 3.739 . 0 0 "[ . 1 . 2]" 1
1315 1 71 TRP QB 1 73 ILE HG13 . . 5.030 3.987 3.659 4.685 . 0 0 "[ . 1 . 2]" 1
1316 1 51 GLN QG 1 73 ILE HG13 . . 4.070 2.353 1.991 3.227 . 0 0 "[ . 1 . 2]" 1
1317 1 77 ILE HG12 1 82 TYR QD . . 4.620 2.756 2.441 3.023 . 0 0 "[ . 1 . 2]" 1
1318 1 35 VAL HA 1 37 TRP HE3 . . 5.500 4.983 4.607 5.170 . 0 0 "[ . 1 . 2]" 1
1319 1 53 THR HA 1 93 TYR QD . . 5.500 4.165 3.743 4.430 . 0 0 "[ . 1 . 2]" 1
1320 1 61 PHE QE 1 110 PRO HG2 . . 4.840 4.625 4.139 4.849 0.009 14 0 "[ . 1 . 2]" 1
1321 1 51 GLN HA 1 73 ILE HG12 . . 4.840 4.756 4.607 4.851 0.011 20 0 "[ . 1 . 2]" 1
1322 1 63 SER HA 1 66 ASN HB3 . . 4.320 3.877 3.365 4.329 0.009 8 0 "[ . 1 . 2]" 1
1323 1 62 ILE MG 1 63 SER HA . . 4.170 3.404 3.209 3.624 . 0 0 "[ . 1 . 2]" 1
1324 1 77 ILE MG 1 82 TYR HA . . 4.860 4.356 4.180 4.609 . 0 0 "[ . 1 . 2]" 1
1325 1 79 GLN HE21 1 82 TYR HA . . 3.410 2.360 1.993 2.801 . 0 0 "[ . 1 . 2]" 1
1326 1 82 TYR HA 1 82 TYR QD . . 3.630 3.189 3.142 3.221 . 0 0 "[ . 1 . 2]" 1
1327 1 34 THR MG 1 82 TYR HA . . 4.490 4.228 4.061 4.442 . 0 0 "[ . 1 . 2]" 1
1328 1 10 LEU H 1 10 LEU HG . . 4.400 3.262 2.028 4.411 0.011 2 0 "[ . 1 . 2]" 1
1329 1 64 LEU HG 1 65 TYR QD . . 4.770 4.467 4.076 4.778 0.008 19 0 "[ . 1 . 2]" 1
1330 1 64 LEU HA 1 64 LEU HG . . 4.090 3.141 2.928 3.280 . 0 0 "[ . 1 . 2]" 1
1331 1 25 LEU HA 1 25 LEU HG . . 3.860 3.263 3.215 3.303 . 0 0 "[ . 1 . 2]" 1
1332 1 24 GLU HG3 1 25 LEU HG . . 4.220 2.221 1.984 3.497 . 0 0 "[ . 1 . 2]" 1
1333 1 112 ARG HA 1 112 ARG HG3 . . 4.060 3.457 2.747 3.794 . 0 0 "[ . 1 . 2]" 1
1334 1 50 LEU MD2 1 95 PHE QD . . 3.740 3.216 2.809 3.598 . 0 0 "[ . 1 . 2]" 1
1335 1 50 LEU MD2 1 82 TYR QD . . 3.450 2.506 1.924 2.813 . 0 0 "[ . 1 . 2]" 1
1336 1 50 LEU MD2 1 84 VAL MG1 . . 3.910 3.704 3.507 3.865 . 0 0 "[ . 1 . 2]" 1
1337 1 50 LEU MD2 1 51 GLN H . . 4.620 4.303 3.883 4.635 0.015 14 0 "[ . 1 . 2]" 1
1338 1 50 LEU H 1 50 LEU MD2 . . 4.450 4.354 4.279 4.489 0.039 4 0 "[ . 1 . 2]" 1
1339 1 50 LEU MD2 1 82 TYR QE . . 3.780 3.508 2.906 3.788 0.008 12 0 "[ . 1 . 2]" 1
1340 1 50 LEU MD2 1 95 PHE QE . . 4.060 3.235 2.895 3.556 . 0 0 "[ . 1 . 2]" 1
1341 1 50 LEU MD2 1 52 TYR QD . . 3.710 3.027 2.638 3.438 . 0 0 "[ . 1 . 2]" 1
1342 1 50 LEU MD2 1 82 TYR HB2 . . 4.290 3.458 3.166 3.754 . 0 0 "[ . 1 . 2]" 1
1343 1 50 LEU MD2 1 82 TYR HB3 . . 3.780 2.170 1.957 2.399 . 0 0 "[ . 1 . 2]" 1
1344 1 50 LEU MD2 1 74 VAL HB . . 4.050 3.175 2.914 3.425 . 0 0 "[ . 1 . 2]" 1
1345 1 35 VAL HB 1 50 LEU MD2 . . 4.400 3.851 3.397 4.189 . 0 0 "[ . 1 . 2]" 1
1346 1 50 LEU MD2 1 84 VAL HB . . 4.900 4.288 4.037 4.571 . 0 0 "[ . 1 . 2]" 1
1347 1 50 LEU MD2 1 77 ILE MD . . 3.560 2.979 2.743 3.234 . 0 0 "[ . 1 . 2]" 1
1348 1 35 VAL MG2 1 50 LEU MD2 . . 4.050 3.737 3.197 4.037 . 0 0 "[ . 1 . 2]" 1
1349 1 50 LEU MD2 1 97 VAL MG2 . . 4.890 4.412 4.182 4.655 . 0 0 "[ . 1 . 2]" 1
1350 1 90 GLY H 1 117 SER HA . . 3.950 3.546 3.096 3.974 0.024 15 0 "[ . 1 . 2]" 1
1351 1 65 TYR HA 1 67 SER H . . 5.290 4.321 3.840 4.738 . 0 0 "[ . 1 . 2]" 1
1352 1 65 TYR HA 1 71 TRP HZ2 . . 3.730 3.167 2.478 3.592 . 0 0 "[ . 1 . 2]" 1
1353 1 37 TRP HH2 1 82 TYR HA . . 4.520 3.768 3.625 3.938 . 0 0 "[ . 1 . 2]" 1
1354 1 13 LEU HA 1 13 LEU HG . . 3.710 2.850 2.245 3.746 0.036 18 0 "[ . 1 . 2]" 1
1355 1 13 LEU HG 1 14 THR H . . 5.060 4.635 3.414 5.166 0.106 17 0 "[ . 1 . 2]" 1
1356 1 64 LEU HG 1 71 TRP HD1 . . 5.500 4.359 3.852 5.007 . 0 0 "[ . 1 . 2]" 1
1357 1 13 LEU HG 1 101 ASN HD22 . . 5.500 3.776 2.755 5.500 0.000 18 0 "[ . 1 . 2]" 1
1358 1 41 ASP HA 1 42 GLU HA . . 4.590 4.414 4.391 4.659 0.069 6 0 "[ . 1 . 2]" 1
1359 1 42 GLU HA 1 42 GLU HG2 . . 3.910 3.778 3.627 3.909 . 0 0 "[ . 1 . 2]" 1
1360 1 42 GLU HA 1 45 ILE HG12 . . 4.430 4.209 3.941 4.410 . 0 0 "[ . 1 . 2]" 1
1361 1 42 GLU HA 1 45 ILE MG . . 4.540 4.244 3.874 4.523 . 0 0 "[ . 1 . 2]" 1
1362 1 113 LEU MD1 1 114 LYS H . . 5.110 4.606 4.331 4.870 . 0 0 "[ . 1 . 2]" 1
1363 1 95 PHE QD 1 113 LEU MD1 . . 3.780 2.137 1.922 2.410 . 0 0 "[ . 1 . 2]" 1
1364 1 95 PHE QE 1 113 LEU MD1 . . 3.960 2.445 2.027 3.064 . 0 0 "[ . 1 . 2]" 1
1365 1 26 CYS HB2 1 113 LEU MD1 . . 4.080 3.161 2.743 3.759 . 0 0 "[ . 1 . 2]" 1
1366 1 95 PHE HB2 1 113 LEU MD1 . . 4.650 3.070 2.619 3.619 . 0 0 "[ . 1 . 2]" 1
1367 1 26 CYS HB3 1 113 LEU MD1 . . 4.080 3.404 2.499 3.961 . 0 0 "[ . 1 . 2]" 1
1368 1 23 GLU QB 1 113 LEU MD1 . . 5.500 5.260 4.990 5.466 . 0 0 "[ . 1 . 2]" 1
1369 1 35 VAL MG1 1 113 LEU MD1 . . 3.130 3.016 2.705 3.132 0.002 15 0 "[ . 1 . 2]" 1
1370 1 35 VAL HA 1 113 LEU MD1 . . 4.410 3.630 3.404 3.828 . 0 0 "[ . 1 . 2]" 1
1371 1 47 SER HA 1 78 LYS HA . . 4.520 4.154 3.600 4.501 . 0 0 "[ . 1 . 2]" 1
1372 1 47 SER HA 1 78 LYS QG . . 4.560 4.191 2.739 4.603 0.043 9 0 "[ . 1 . 2]" 1
1373 1 24 GLU HA 1 26 CYS H . . 4.680 4.357 4.215 4.456 . 0 0 "[ . 1 . 2]" 1
1374 1 24 GLU HA 1 24 GLU HG2 . . 4.040 3.773 3.560 3.941 . 0 0 "[ . 1 . 2]" 1
1375 1 24 GLU HA 1 25 LEU MD2 . . 4.990 4.827 4.702 4.978 . 0 0 "[ . 1 . 2]" 1
1376 1 102 GLN HA 1 104 GLY H . . 5.500 5.277 4.815 5.485 . 0 0 "[ . 1 . 2]" 1
1377 1 100 ILE MG 1 102 GLN HA . . 5.220 4.962 4.873 5.112 . 0 0 "[ . 1 . 2]" 1
1378 1 75 PRO HG3 1 76 ASN H . . 5.030 4.746 4.505 4.943 . 0 0 "[ . 1 . 2]" 1
1379 1 74 VAL HA 1 75 PRO HG3 . . 4.530 4.450 4.419 4.485 . 0 0 "[ . 1 . 2]" 1
1380 1 73 ILE MG 1 75 PRO HG3 . . 4.490 4.077 3.787 4.512 0.022 8 0 "[ . 1 . 2]" 1
1381 1 75 PRO HG2 1 76 ASN H . . 4.890 4.050 3.775 4.270 . 0 0 "[ . 1 . 2]" 1
1382 1 74 VAL HA 1 75 PRO HG2 . . 4.490 4.121 4.116 4.130 . 0 0 "[ . 1 . 2]" 1
1383 1 73 ILE MG 1 75 PRO HG2 . . 5.490 4.924 4.651 5.249 . 0 0 "[ . 1 . 2]" 1
1384 1 22 ARG QG 1 23 GLU H . . 4.980 4.685 4.630 4.782 . 0 0 "[ . 1 . 2]" 1
1385 1 22 ARG QG 1 36 HIS HB2 . . 4.800 4.078 3.731 4.534 . 0 0 "[ . 1 . 2]" 1
1386 1 22 ARG QG 1 25 LEU H . . 4.600 4.558 4.416 4.658 0.058 8 0 "[ . 1 . 2]" 1
1387 1 21 ILE HA 1 22 ARG QG . . 4.370 3.851 3.698 4.018 . 0 0 "[ . 1 . 2]" 1
1388 1 22 ARG QG 1 38 ILE HB . . 3.660 2.768 2.449 3.101 . 0 0 "[ . 1 . 2]" 1
1389 1 87 LEU MD1 1 95 PHE QE . . 3.850 3.711 3.492 3.852 0.002 20 0 "[ . 1 . 2]" 1
1390 1 87 LEU MD1 1 95 PHE HZ . . 4.040 2.762 2.486 3.067 . 0 0 "[ . 1 . 2]" 1
1391 1 31 ASP HA 1 87 LEU MD1 . . 4.110 3.838 3.492 4.120 0.010 15 0 "[ . 1 . 2]" 1
1392 1 87 LEU HA 1 87 LEU MD1 . . 4.200 3.925 3.904 3.957 . 0 0 "[ . 1 . 2]" 1
1393 1 33 ILE HG13 1 87 LEU MD1 . . 3.510 1.941 1.822 2.110 . 0 0 "[ . 1 . 2]" 1
1394 1 33 ILE HB 1 87 LEU MD1 . . 3.300 2.300 2.005 2.593 . 0 0 "[ . 1 . 2]" 1
1395 1 32 THR MG 1 87 LEU MD1 . . 4.050 3.628 3.292 4.021 . 0 0 "[ . 1 . 2]" 1
1396 1 33 ILE MD 1 87 LEU MD1 . . 3.050 2.118 1.912 2.494 . 0 0 "[ . 1 . 2]" 1
1397 1 9 GLY QA 1 10 LEU MD1 . . 5.020 4.459 2.456 5.047 0.027 17 0 "[ . 1 . 2]" 1
1398 1 25 LEU MD1 1 36 HIS HD2 . . 5.500 5.477 5.360 5.514 0.014 15 0 "[ . 1 . 2]" 1
1399 1 25 LEU H 1 25 LEU MD1 . . 3.890 3.744 3.578 3.880 . 0 0 "[ . 1 . 2]" 1
1400 1 25 LEU MD1 1 26 CYS H . . 4.730 4.685 4.541 4.742 0.012 19 0 "[ . 1 . 2]" 1
1401 1 25 LEU HA 1 25 LEU MD1 . . 4.050 3.898 3.845 3.957 . 0 0 "[ . 1 . 2]" 1
1402 1 22 ARG HD2 1 25 LEU MD1 . . 4.240 3.847 3.154 4.053 . 0 0 "[ . 1 . 2]" 1
1403 1 25 LEU MD1 1 36 HIS HB3 . . 3.870 2.728 2.413 2.925 . 0 0 "[ . 1 . 2]" 1
1404 1 25 LEU MD1 1 36 HIS HB2 . . 3.860 2.954 2.663 3.296 . 0 0 "[ . 1 . 2]" 1
1405 1 24 GLU HG2 1 25 LEU MD1 . . 4.610 4.092 3.728 4.470 . 0 0 "[ . 1 . 2]" 1
1406 1 24 GLU HG3 1 25 LEU MD1 . . 4.610 3.761 3.610 4.579 . 0 0 "[ . 1 . 2]" 1
1407 1 22 ARG QG 1 25 LEU MD1 . . 3.390 1.956 1.795 2.094 . 0 0 "[ . 1 . 2]" 1
1408 1 77 ILE HA 1 78 LYS QG . . 4.250 3.902 3.676 4.319 0.069 14 0 "[ . 1 . 2]" 1
1409 1 78 LYS HA 1 78 LYS QG . . 3.420 2.740 2.393 2.912 . 0 0 "[ . 1 . 2]" 1
1410 1 77 ILE MG 1 78 LYS QG . . 4.800 4.630 4.448 4.754 . 0 0 "[ . 1 . 2]" 1
1411 1 13 LEU H 1 13 LEU MD1 . . 4.520 4.366 3.979 4.648 0.128 16 0 "[ . 1 . 2]" 1
1412 1 13 LEU MD1 1 101 ASN HD21 . . 4.520 3.300 1.827 4.417 . 0 0 "[ . 1 . 2]" 1
1413 1 13 LEU MD1 1 101 ASN HD22 . . 4.640 3.687 1.881 4.664 0.024 14 0 "[ . 1 . 2]" 1
1414 1 13 LEU HA 1 13 LEU MD1 . . 3.720 3.220 2.037 3.959 0.239 10 0 "[ . 1 . 2]" 1
1415 1 13 LEU MD1 1 102 GLN QB . . 4.610 4.303 2.598 4.641 0.031 15 0 "[ . 1 . 2]" 1
1416 1 71 TRP HA 1 73 ILE MD . . 5.420 4.461 4.215 4.645 . 0 0 "[ . 1 . 2]" 1
1417 1 28 ALA MB 1 34 THR H . . 4.970 4.929 4.767 4.991 0.021 8 0 "[ . 1 . 2]" 1
1418 1 28 ALA MB 1 115 THR H . . 4.870 3.971 3.743 4.392 . 0 0 "[ . 1 . 2]" 1
1419 1 28 ALA MB 1 116 ASN H . . 3.530 3.205 2.921 3.525 . 0 0 "[ . 1 . 2]" 1
1420 1 28 ALA MB 1 29 SER HA . . 4.140 3.977 3.897 4.038 . 0 0 "[ . 1 . 2]" 1
1421 1 28 ALA MB 1 115 THR HA . . 3.110 2.011 1.820 2.415 . 0 0 "[ . 1 . 2]" 1
1422 1 27 THR HB 1 28 ALA MB . . 4.900 4.657 4.509 4.817 . 0 0 "[ . 1 . 2]" 1
1423 1 28 ALA MB 1 115 THR MG . . 3.380 2.812 2.443 3.371 . 0 0 "[ . 1 . 2]" 1
1424 1 28 ALA MB 1 33 ILE HG12 . . 3.340 2.744 2.464 2.918 . 0 0 "[ . 1 . 2]" 1
1425 1 28 ALA MB 1 33 ILE MG . . 3.440 3.274 2.807 3.448 0.008 9 0 "[ . 1 . 2]" 1
1426 1 28 ALA MB 1 87 LEU MD1 . . 5.150 5.039 4.756 5.154 0.004 6 0 "[ . 1 . 2]" 1
1427 1 50 LEU H 1 50 LEU MD1 . . 4.540 4.138 4.025 4.359 . 0 0 "[ . 1 . 2]" 1
1428 1 50 LEU MD1 1 82 TYR QD . . 4.460 4.163 3.589 4.462 0.002 12 0 "[ . 1 . 2]" 1
1429 1 50 LEU MD1 1 97 VAL HA . . 3.560 3.354 3.098 3.563 0.003 11 0 "[ . 1 . 2]" 1
1430 1 50 LEU MD1 1 95 PHE HB3 . . 3.590 3.161 2.837 3.410 . 0 0 "[ . 1 . 2]" 1
1431 1 50 LEU MD1 1 51 GLN H . . 3.320 3.023 2.635 3.323 0.003 20 0 "[ . 1 . 2]" 1
1432 1 50 LEU MD1 1 95 PHE QD . . 3.190 2.807 2.302 3.118 . 0 0 "[ . 1 . 2]" 1
1433 1 37 TRP HE3 1 50 LEU MD1 . . 3.670 3.427 3.114 3.617 . 0 0 "[ . 1 . 2]" 1
1434 1 37 TRP HZ3 1 50 LEU MD1 . . 3.670 2.056 1.922 2.419 . 0 0 "[ . 1 . 2]" 1
1435 1 50 LEU MD1 1 95 PHE HB2 . . 4.910 4.638 4.327 4.905 . 0 0 "[ . 1 . 2]" 1
1436 1 35 VAL HB 1 50 LEU MD1 . . 3.660 2.894 2.401 3.120 . 0 0 "[ . 1 . 2]" 1
1437 1 50 LEU MD1 1 77 ILE MD . . 3.920 3.284 3.053 3.502 . 0 0 "[ . 1 . 2]" 1
1438 1 35 VAL MG2 1 50 LEU MD1 . . 3.430 3.276 2.823 3.430 0.000 7 0 "[ . 1 . 2]" 1
1439 1 50 LEU MD1 1 97 VAL MG2 . . 2.990 2.197 1.916 2.433 . 0 0 "[ . 1 . 2]" 1
1440 1 49 GLU H 1 50 LEU MD1 . . 5.500 5.455 5.301 5.508 0.008 9 0 "[ . 1 . 2]" 1
1441 1 13 LEU MD2 1 101 ASN HD21 . . 4.520 3.172 1.920 4.536 0.016 10 0 "[ . 1 . 2]" 1
1442 1 13 LEU MD2 1 101 ASN HD22 . . 4.640 3.204 1.890 4.587 . 0 0 "[ . 1 . 2]" 1
1443 1 13 LEU MD2 1 102 GLN QB . . 4.610 3.917 3.465 4.627 0.017 17 0 "[ . 1 . 2]" 1
1444 1 13 LEU QB 1 13 LEU MD2 . . 2.810 2.127 1.995 2.465 . 0 0 "[ . 1 . 2]" 1
1445 1 98 LYS HG3 1 105 SER HB2 . . 4.840 3.092 2.534 4.597 . 0 0 "[ . 1 . 2]" 1
1446 1 88 GLN H 1 115 THR MG . . 4.350 4.112 3.749 4.346 . 0 0 "[ . 1 . 2]" 1
1447 1 115 THR HG1 1 115 THR MG . . 3.310 2.494 1.952 2.809 . 0 0 "[ . 1 . 2]" 1
1448 1 28 ALA HA 1 115 THR MG . . 4.370 3.611 3.332 3.992 . 0 0 "[ . 1 . 2]" 1
1449 1 30 HIS HA 1 115 THR MG . . 4.310 4.183 3.797 4.313 0.003 4 0 "[ . 1 . 2]" 1
1450 1 115 THR HA 1 115 THR MG . . 3.240 2.203 2.103 2.302 . 0 0 "[ . 1 . 2]" 1
1451 1 91 THR HB 1 115 THR MG . . 4.560 4.097 3.781 4.414 . 0 0 "[ . 1 . 2]" 1
1452 1 33 ILE HG13 1 115 THR MG . . 3.350 2.462 2.231 2.698 . 0 0 "[ . 1 . 2]" 1
1453 1 33 ILE HG12 1 115 THR MG . . 3.270 2.463 2.206 2.744 . 0 0 "[ . 1 . 2]" 1
1454 1 33 ILE MG 1 115 THR MG . . 4.230 3.825 3.643 4.092 . 0 0 "[ . 1 . 2]" 1
1455 1 87 LEU MD1 1 115 THR MG . . 3.220 2.852 2.365 3.116 . 0 0 "[ . 1 . 2]" 1
1456 1 50 LEU MD1 1 95 PHE HA . . 4.700 4.512 4.270 4.698 . 0 0 "[ . 1 . 2]" 1
1457 1 64 LEU H 1 64 LEU MD1 . . 4.970 4.263 4.107 4.358 . 0 0 "[ . 1 . 2]" 1
1458 1 64 LEU H 1 64 LEU MD2 . . 4.970 4.098 4.008 4.210 . 0 0 "[ . 1 . 2]" 1
1459 1 53 THR HB 1 64 LEU MD1 . . 5.500 4.869 4.429 5.509 0.009 19 0 "[ . 1 . 2]" 1
1460 1 53 THR HB 1 64 LEU MD2 . . 5.500 4.685 4.205 5.279 . 0 0 "[ . 1 . 2]" 1
1461 1 64 LEU HA 1 67 SER QB . . 4.150 3.760 3.252 4.175 0.025 14 0 "[ . 1 . 2]" 1
1462 1 114 LYS H 1 114 LYS HG2 . . 4.460 4.114 3.611 4.397 . 0 0 "[ . 1 . 2]" 1
1463 1 114 LYS HG2 1 115 THR H . . 4.260 3.863 3.596 4.282 0.022 15 0 "[ . 1 . 2]" 1
1464 1 114 LYS QE 1 114 LYS HG2 . . 3.680 2.467 2.118 3.346 . 0 0 "[ . 1 . 2]" 1
1465 1 98 LYS HG2 1 99 ALA H . . 4.240 3.465 2.703 4.062 . 0 0 "[ . 1 . 2]" 1
1466 1 114 LYS H 1 114 LYS HG3 . . 4.430 3.775 3.361 4.443 0.013 19 0 "[ . 1 . 2]" 1
1467 1 10 LEU MD2 1 11 ASP H . . 5.500 4.126 3.013 4.989 . 0 0 "[ . 1 . 2]" 1
1468 1 121 LYS HA 1 121 LYS QD . . 4.050 3.390 1.981 4.146 0.096 4 0 "[ . 1 . 2]" 1
1469 1 121 LYS HA 1 121 LYS QG . . 3.910 2.639 2.181 3.430 . 0 0 "[ . 1 . 2]" 1
1470 1 95 PHE QE 1 113 LEU MD2 . . 4.980 4.761 4.464 4.944 . 0 0 "[ . 1 . 2]" 1
1471 1 35 VAL HA 1 113 LEU MD2 . . 5.130 5.043 4.773 5.140 0.010 13 0 "[ . 1 . 2]" 1
1472 1 23 GLU HA 1 113 LEU MD2 . . 3.780 3.272 3.124 3.459 . 0 0 "[ . 1 . 2]" 1
1473 1 111 THR HB 1 113 LEU MD2 . . 4.560 4.275 4.037 4.514 . 0 0 "[ . 1 . 2]" 1
1474 1 26 CYS HG 1 113 LEU MD2 . . 4.240 3.533 3.041 4.242 0.002 10 0 "[ . 1 . 2]" 1
1475 1 26 CYS HB2 1 113 LEU MD2 . . 4.270 3.471 2.761 3.962 . 0 0 "[ . 1 . 2]" 1
1476 1 26 CYS HB3 1 113 LEU MD2 . . 4.270 3.573 2.338 4.180 . 0 0 "[ . 1 . 2]" 1
1477 1 23 GLU HG2 1 113 LEU MD2 . . 4.330 2.801 2.136 3.896 . 0 0 "[ . 1 . 2]" 1
1478 1 35 VAL MG2 1 113 LEU MD2 . . 4.380 4.056 3.897 4.295 . 0 0 "[ . 1 . 2]" 1
1479 1 9 GLY QA 1 10 LEU MD2 . . 5.020 3.773 2.609 4.940 . 0 0 "[ . 1 . 2]" 1
1480 1 69 ASP HA 1 71 TRP H . . 4.850 4.473 4.116 4.789 . 0 0 "[ . 1 . 2]" 1
1481 1 84 VAL MG1 1 87 LEU HA . . 4.950 4.623 4.290 4.868 . 0 0 "[ . 1 . 2]" 1
1482 1 84 VAL H 1 84 VAL MG1 . . 4.130 3.781 3.759 3.799 . 0 0 "[ . 1 . 2]" 1
1483 1 84 VAL MG1 1 85 HIS H . . 3.520 2.762 2.450 3.175 . 0 0 "[ . 1 . 2]" 1
1484 1 33 ILE H 1 84 VAL MG1 . . 4.680 4.284 4.035 4.619 . 0 0 "[ . 1 . 2]" 1
1485 1 84 VAL MG1 1 95 PHE QD . . 5.500 5.086 4.679 5.277 . 0 0 "[ . 1 . 2]" 1
1486 1 84 VAL MG1 1 95 PHE QE . . 4.370 3.348 2.876 3.708 . 0 0 "[ . 1 . 2]" 1
1487 1 52 TYR QE 1 84 VAL MG1 . . 3.370 2.870 2.493 3.259 . 0 0 "[ . 1 . 2]" 1
1488 1 84 VAL MG1 1 85 HIS HA . . 4.750 3.808 3.489 4.049 . 0 0 "[ . 1 . 2]" 1
1489 1 84 VAL HA 1 84 VAL MG1 . . 3.320 2.357 2.271 2.457 . 0 0 "[ . 1 . 2]" 1
1490 1 109 GLU HA 1 110 PRO HG2 . . 4.530 4.472 4.443 4.483 . 0 0 "[ . 1 . 2]" 1
1491 1 13 LEU HA 1 14 THR MG . . 5.000 4.209 3.415 4.674 . 0 0 "[ . 1 . 2]" 1
1492 1 13 LEU HA 1 103 ALA MB . . 5.230 4.165 3.727 4.544 . 0 0 "[ . 1 . 2]" 1
1493 1 10 LEU HA 1 11 ASP H . . 3.460 2.368 2.138 3.564 0.104 15 0 "[ . 1 . 2]" 1
1494 1 13 LEU HA 1 13 LEU MD2 . . 3.720 3.285 1.956 3.924 0.204 6 0 "[ . 1 . 2]" 1
1495 1 35 VAL MG1 1 36 HIS H . . 3.270 2.471 2.095 2.804 . 0 0 "[ . 1 . 2]" 1
1496 1 21 ILE HA 1 35 VAL MG1 . . 4.170 3.651 3.468 3.803 . 0 0 "[ . 1 . 2]" 1
1497 1 35 VAL MG1 1 37 TRP HB3 . . 4.370 3.575 3.310 3.706 . 0 0 "[ . 1 . 2]" 1
1498 1 35 VAL MG1 1 97 VAL MG2 . . 3.570 2.827 2.518 3.035 . 0 0 "[ . 1 . 2]" 1
1499 1 10 LEU HA 1 12 TYR QD . . 5.500 4.691 4.036 5.575 0.075 12 0 "[ . 1 . 2]" 1
1500 1 35 VAL H 1 35 VAL MG1 . . 3.830 3.805 3.785 3.828 . 0 0 "[ . 1 . 2]" 1
1501 1 35 VAL MG1 1 37 TRP HE3 . . 3.000 2.379 2.062 2.592 . 0 0 "[ . 1 . 2]" 1
1502 1 35 VAL MG1 1 37 TRP HZ3 . . 3.500 3.286 3.008 3.497 . 0 0 "[ . 1 . 2]" 1
1503 1 35 VAL HA 1 35 VAL MG1 . . 3.230 2.416 2.316 2.463 . 0 0 "[ . 1 . 2]" 1
1504 1 21 ILE HB 1 35 VAL MG1 . . 4.580 4.300 3.964 4.503 . 0 0 "[ . 1 . 2]" 1
1505 1 35 VAL MG1 1 111 THR MG . . 4.270 3.696 3.469 3.981 . 0 0 "[ . 1 . 2]" 1
1506 1 33 ILE MG 1 84 VAL MG2 . . 4.230 4.103 3.817 4.233 0.003 15 0 "[ . 1 . 2]" 1
1507 1 35 VAL MG1 1 97 VAL MG1 . . 5.000 4.929 4.583 5.011 0.011 15 0 "[ . 1 . 2]" 1
1508 1 99 ALA H 1 99 ALA MB . . 3.280 2.217 2.077 2.352 . 0 0 "[ . 1 . 2]" 1
1509 1 48 TYR HD1 1 99 ALA MB . . 4.050 3.254 2.961 3.546 . 0 0 "[ . 1 . 2]" 1
1510 1 98 LYS HA 1 99 ALA MB . . 4.240 3.984 3.923 4.029 . 0 0 "[ . 1 . 2]" 1
1511 1 19 PRO HD2 1 99 ALA MB . . 3.910 3.749 3.541 3.927 0.017 12 0 "[ . 1 . 2]" 1
1512 1 19 PRO HD3 1 99 ALA MB . . 3.960 2.431 2.140 2.710 . 0 0 "[ . 1 . 2]" 1
1513 1 19 PRO HB3 1 99 ALA MB . . 4.150 3.679 3.303 3.970 . 0 0 "[ . 1 . 2]" 1
1514 1 16 PRO HB2 1 99 ALA MB . . 3.510 2.242 1.983 2.393 . 0 0 "[ . 1 . 2]" 1
1515 1 19 PRO HG3 1 99 ALA MB . . 3.370 3.094 2.933 3.331 . 0 0 "[ . 1 . 2]" 1
1516 1 16 PRO HB3 1 99 ALA MB . . 3.510 3.381 3.122 3.513 0.003 4 0 "[ . 1 . 2]" 1
1517 1 45 ILE HG13 1 99 ALA MB . . 4.250 3.787 3.507 3.962 . 0 0 "[ . 1 . 2]" 1
1518 1 45 ILE MD 1 99 ALA MB . . 3.210 1.825 1.733 1.965 . 0 0 "[ . 1 . 2]" 1
1519 1 45 ILE MG 1 99 ALA MB . . 3.460 2.432 2.185 2.788 . 0 0 "[ . 1 . 2]" 1
1520 1 18 PRO HA 1 99 ALA MB . . 5.020 3.861 3.452 4.230 . 0 0 "[ . 1 . 2]" 1
1521 1 16 PRO HD2 1 99 ALA MB . . 5.500 5.187 4.804 5.517 0.017 15 0 "[ . 1 . 2]" 1
1522 1 84 VAL MG2 1 95 PHE HZ . . 3.860 3.595 3.216 3.865 0.005 17 0 "[ . 1 . 2]" 1
1523 1 52 TYR QE 1 84 VAL MG2 . . 3.770 3.510 2.902 3.763 . 0 0 "[ . 1 . 2]" 1
1524 1 82 TYR HB3 1 84 VAL MG2 . . 4.350 3.776 3.613 3.947 . 0 0 "[ . 1 . 2]" 1
1525 1 25 LEU MD2 1 26 CYS H . . 4.740 4.630 4.565 4.698 . 0 0 "[ . 1 . 2]" 1
1526 1 25 LEU HA 1 25 LEU MD2 . . 2.700 2.228 2.043 2.407 . 0 0 "[ . 1 . 2]" 1
1527 1 25 LEU MD2 1 36 HIS HB3 . . 5.380 4.934 4.594 5.203 . 0 0 "[ . 1 . 2]" 1
1528 1 25 LEU MD2 1 36 HIS HB2 . . 4.830 4.697 4.567 4.834 0.004 10 0 "[ . 1 . 2]" 1
1529 1 24 GLU HG2 1 25 LEU MD2 . . 3.920 3.488 2.294 3.889 . 0 0 "[ . 1 . 2]" 1
1530 1 24 GLU HG3 1 25 LEU MD2 . . 3.920 2.194 1.963 3.089 . 0 0 "[ . 1 . 2]" 1
1531 1 22 ARG HB3 1 25 LEU MD2 . . 4.460 3.874 3.711 4.032 . 0 0 "[ . 1 . 2]" 1
1532 1 22 ARG QG 1 25 LEU MD2 . . 4.700 4.222 4.086 4.398 . 0 0 "[ . 1 . 2]" 1
1533 1 22 ARG HB2 1 25 LEU MD2 . . 4.460 4.385 4.263 4.476 0.016 14 0 "[ . 1 . 2]" 1
1534 1 35 VAL MG2 1 95 PHE H . . 5.500 4.844 4.649 5.097 . 0 0 "[ . 1 . 2]" 1
1535 1 26 CYS H 1 27 THR MG . . 5.340 4.727 4.581 4.856 . 0 0 "[ . 1 . 2]" 1
1536 1 27 THR MG 1 36 HIS HE1 . . 5.500 4.775 3.996 5.462 . 0 0 "[ . 1 . 2]" 1
1537 1 84 VAL H 1 84 VAL MG2 . . 3.310 2.409 2.194 2.632 . 0 0 "[ . 1 . 2]" 1
1538 1 82 TYR QD 1 84 VAL MG2 . . 2.990 2.050 1.971 2.235 . 0 0 "[ . 1 . 2]" 1
1539 1 84 VAL MG2 1 95 PHE QE . . 3.050 1.988 1.820 2.214 . 0 0 "[ . 1 . 2]" 1
1540 1 84 VAL HA 1 84 VAL MG2 . . 3.350 2.349 2.227 2.451 . 0 0 "[ . 1 . 2]" 1
1541 1 84 VAL MG2 1 87 LEU MD1 . . 4.060 3.736 3.515 4.051 . 0 0 "[ . 1 . 2]" 1
1542 1 35 VAL H 1 35 VAL MG2 . . 3.390 2.510 2.317 2.741 . 0 0 "[ . 1 . 2]" 1
1543 1 35 VAL MG2 1 95 PHE QD . . 3.560 2.549 2.318 2.861 . 0 0 "[ . 1 . 2]" 1
1544 1 35 VAL MG2 1 95 PHE QE . . 3.640 3.027 2.582 3.324 . 0 0 "[ . 1 . 2]" 1
1545 1 35 VAL MG2 1 37 TRP HZ3 . . 4.240 4.073 3.811 4.240 0.000 14 0 "[ . 1 . 2]" 1
1546 1 35 VAL MG2 1 95 PHE HZ . . 4.660 3.738 3.503 3.944 . 0 0 "[ . 1 . 2]" 1
1547 1 35 VAL HA 1 35 VAL MG2 . . 3.380 2.368 2.253 2.472 . 0 0 "[ . 1 . 2]" 1
1548 1 35 VAL MG2 1 95 PHE HB2 . . 4.680 2.784 2.575 3.155 . 0 0 "[ . 1 . 2]" 1
1549 1 35 VAL MG2 1 95 PHE HB3 . . 4.880 2.704 2.367 3.035 . 0 0 "[ . 1 . 2]" 1
1550 1 33 ILE MD 1 35 VAL MG2 . . 4.380 4.230 4.003 4.394 0.014 15 0 "[ . 1 . 2]" 1
1551 1 35 VAL MG2 1 113 LEU MD1 . . 3.120 2.154 2.018 2.321 . 0 0 "[ . 1 . 2]" 1
1552 1 33 ILE MG 1 35 VAL MG2 . . 2.860 2.335 2.117 2.546 . 0 0 "[ . 1 . 2]" 1
1553 1 35 VAL MG2 1 97 VAL MG2 . . 4.480 4.393 4.164 4.483 0.003 17 0 "[ . 1 . 2]" 1
1554 1 47 SER HB2 1 76 ASN HA . . 4.120 3.808 3.106 4.119 . 0 0 "[ . 1 . 2]" 1
1555 1 12 TYR QE 1 14 THR MG . . 4.450 3.471 2.582 4.471 0.021 13 0 "[ . 1 . 2]" 1
1556 1 14 THR HA 1 14 THR MG . . 3.300 3.068 2.626 3.204 . 0 0 "[ . 1 . 2]" 1
1557 1 27 THR MG 1 34 THR H . . 4.670 4.539 4.324 4.729 0.059 15 0 "[ . 1 . 2]" 1
1558 1 27 THR H 1 27 THR MG . . 3.600 2.806 2.405 3.154 . 0 0 "[ . 1 . 2]" 1
1559 1 27 THR MG 1 36 HIS HD2 . . 4.570 4.353 3.864 4.571 0.001 13 0 "[ . 1 . 2]" 1
1560 1 56 THR H 1 56 THR MG . . 4.070 2.806 1.911 3.104 . 0 0 "[ . 1 . 2]" 1
1561 1 55 PHE HA 1 56 THR MG . . 4.230 3.881 3.502 4.140 . 0 0 "[ . 1 . 2]" 1
1562 1 56 THR HA 1 56 THR MG . . 3.000 2.428 2.151 3.181 0.181 7 0 "[ . 1 . 2]" 1
1563 1 32 THR MG 1 85 HIS HE1 . . 3.980 3.205 2.754 3.854 . 0 0 "[ . 1 . 2]" 1
1564 1 35 VAL H 1 83 THR MG . . 5.500 5.298 5.041 5.488 . 0 0 "[ . 1 . 2]" 1
1565 1 83 THR H 1 83 THR MG . . 3.900 3.795 3.775 3.812 . 0 0 "[ . 1 . 2]" 1
1566 1 83 THR MG 1 85 HIS HD2 . . 4.130 2.353 2.012 2.858 . 0 0 "[ . 1 . 2]" 1
1567 1 32 THR HA 1 83 THR MG . . 4.330 4.043 3.707 4.217 . 0 0 "[ . 1 . 2]" 1
1568 1 34 THR HB 1 83 THR MG . . 4.810 4.431 4.017 4.651 . 0 0 "[ . 1 . 2]" 1
1569 1 83 THR MG 1 84 VAL HA . . 5.110 4.179 3.851 4.384 . 0 0 "[ . 1 . 2]" 1
1570 1 30 HIS HB2 1 118 GLN HA . . 4.530 3.996 3.015 4.536 0.006 13 0 "[ . 1 . 2]" 1
1571 1 37 TRP HZ3 1 81 HIS HA . . 4.670 3.374 3.137 3.644 . 0 0 "[ . 1 . 2]" 1
1572 1 111 THR MG 1 112 ARG HA . . 4.390 4.132 3.945 4.271 . 0 0 "[ . 1 . 2]" 1
1573 1 95 PHE HB2 1 111 THR MG . . 4.180 3.690 3.333 4.065 . 0 0 "[ . 1 . 2]" 1
1574 1 111 THR H 1 111 THR MG . . 3.970 3.794 3.686 3.870 . 0 0 "[ . 1 . 2]" 1
1575 1 111 THR MG 1 112 ARG H . . 3.320 3.084 2.967 3.276 . 0 0 "[ . 1 . 2]" 1
1576 1 22 ARG H 1 111 THR MG . . 5.500 5.504 5.459 5.520 0.020 9 0 "[ . 1 . 2]" 1
1577 1 95 PHE QD 1 111 THR MG . . 4.310 3.904 3.576 4.128 . 0 0 "[ . 1 . 2]" 1
1578 1 111 THR MG 1 113 LEU HA . . 4.490 4.317 4.188 4.458 . 0 0 "[ . 1 . 2]" 1
1579 1 111 THR HA 1 111 THR MG . . 3.200 2.388 2.285 2.539 . 0 0 "[ . 1 . 2]" 1
1580 1 23 GLU HA 1 111 THR MG . . 4.160 3.595 3.028 3.922 . 0 0 "[ . 1 . 2]" 1
1581 1 95 PHE HB3 1 111 THR MG . . 5.500 5.065 4.749 5.448 . 0 0 "[ . 1 . 2]" 1
1582 1 23 GLU HG3 1 111 THR MG . . 3.880 2.559 1.891 3.099 . 0 0 "[ . 1 . 2]" 1
1583 1 111 THR MG 1 113 LEU MD1 . . 3.300 2.753 2.372 3.064 . 0 0 "[ . 1 . 2]" 1
1584 1 34 THR MG 1 82 TYR H . . 3.900 3.689 3.454 3.870 . 0 0 "[ . 1 . 2]" 1
1585 1 34 THR MG 1 36 HIS HD2 . . 3.470 2.469 2.145 2.865 . 0 0 "[ . 1 . 2]" 1
1586 1 34 THR MG 1 81 HIS HA . . 4.060 3.897 3.705 4.077 0.017 19 0 "[ . 1 . 2]" 1
1587 1 34 THR MG 1 81 HIS HB2 . . 3.890 2.287 2.150 2.452 . 0 0 "[ . 1 . 2]" 1
1588 1 34 THR MG 1 81 HIS HB3 . . 4.050 3.340 3.177 3.526 . 0 0 "[ . 1 . 2]" 1
1589 1 34 THR MG 1 83 THR MG . . 3.800 3.568 3.297 3.798 . 0 0 "[ . 1 . 2]" 1
1590 1 32 THR MG 1 85 HIS H . . 4.400 3.950 3.601 4.401 0.001 3 0 "[ . 1 . 2]" 1
1591 1 32 THR MG 1 87 LEU H . . 4.810 4.487 3.780 4.824 0.014 17 0 "[ . 1 . 2]" 1
1592 1 31 ASP H 1 32 THR MG . . 5.320 4.725 4.091 5.327 0.007 19 0 "[ . 1 . 2]" 1
1593 1 32 THR HA 1 32 THR MG . . 3.250 2.140 1.986 2.278 . 0 0 "[ . 1 . 2]" 1
1594 1 32 THR MG 1 85 HIS HA . . 3.110 2.051 1.907 2.319 . 0 0 "[ . 1 . 2]" 1
1595 1 32 THR MG 1 85 HIS HB3 . . 4.010 3.612 3.217 3.980 . 0 0 "[ . 1 . 2]" 1
1596 1 32 THR MG 1 85 HIS HB2 . . 4.340 3.968 3.749 4.219 . 0 0 "[ . 1 . 2]" 1
1597 1 83 THR MG 1 84 VAL HB . . 4.680 4.603 4.437 4.687 0.007 17 0 "[ . 1 . 2]" 1
1598 1 37 TRP HE3 1 81 HIS HA . . 4.740 3.992 3.655 4.231 . 0 0 "[ . 1 . 2]" 1
1599 1 34 THR MG 1 84 VAL H . . 4.920 4.774 4.595 4.924 0.004 19 0 "[ . 1 . 2]" 1
1600 1 34 THR MG 1 35 VAL HB . . 4.970 4.840 4.638 4.976 0.006 19 0 "[ . 1 . 2]" 1
1601 1 91 THR MG 1 92 ARG H . . 3.240 2.090 1.882 2.412 . 0 0 "[ . 1 . 2]" 1
1602 1 91 THR HA 1 91 THR MG . . 3.010 2.406 2.294 2.504 . 0 0 "[ . 1 . 2]" 1
1603 1 88 GLN QG 1 91 THR MG . . 4.220 3.815 3.509 4.228 0.008 9 0 "[ . 1 . 2]" 1
1604 1 88 GLN HB2 1 91 THR MG . . 3.800 2.934 2.720 3.121 . 0 0 "[ . 1 . 2]" 1
1605 1 91 THR MG 1 92 ARG HB2 . . 4.270 3.462 3.364 3.706 . 0 0 "[ . 1 . 2]" 1
1606 1 54 ILE HB 1 91 THR MG . . 4.690 4.603 4.453 4.693 0.003 16 0 "[ . 1 . 2]" 1
1607 1 54 ILE HG13 1 91 THR MG . . 4.500 4.421 3.981 4.521 0.021 15 0 "[ . 1 . 2]" 1
1608 1 19 PRO HB2 1 97 VAL MG2 . . 4.450 4.071 3.739 4.460 0.010 11 0 "[ . 1 . 2]" 1
1609 1 68 VAL MG1 1 70 SER H . . 5.500 4.517 4.037 5.461 . 0 0 "[ . 1 . 2]" 1
1610 1 68 VAL MG2 1 70 SER H . . 5.500 4.803 4.308 5.474 . 0 0 "[ . 1 . 2]" 1
1611 1 95 PHE QD 1 97 VAL MG2 . . 5.140 4.738 4.323 4.976 . 0 0 "[ . 1 . 2]" 1
1612 1 37 TRP HZ3 1 97 VAL MG2 . . 4.320 3.240 2.901 3.565 . 0 0 "[ . 1 . 2]" 1
1613 1 37 TRP HB3 1 97 VAL MG2 . . 4.090 2.407 2.064 2.757 . 0 0 "[ . 1 . 2]" 1
1614 1 77 ILE MD 1 97 VAL MG2 . . 4.850 4.495 4.300 4.665 . 0 0 "[ . 1 . 2]" 1
1615 1 96 ILE H 1 97 VAL MG2 . . 4.460 4.159 3.993 4.320 . 0 0 "[ . 1 . 2]" 1
1616 1 49 GLU H 1 97 VAL MG2 . . 5.140 5.027 4.772 5.149 0.009 15 0 "[ . 1 . 2]" 1
1617 1 97 VAL H 1 97 VAL MG2 . . 3.800 2.541 2.362 2.676 . 0 0 "[ . 1 . 2]" 1
1618 1 48 TYR HD1 1 97 VAL MG2 . . 4.870 4.537 4.282 4.716 . 0 0 "[ . 1 . 2]" 1
1619 1 37 TRP HE3 1 97 VAL MG2 . . 3.710 2.284 2.071 2.685 . 0 0 "[ . 1 . 2]" 1
1620 1 37 TRP HE1 1 97 VAL MG2 . . 5.090 4.921 4.670 5.108 0.018 19 0 "[ . 1 . 2]" 1
1621 1 97 VAL HA 1 97 VAL MG2 . . 3.340 2.300 2.192 2.399 . 0 0 "[ . 1 . 2]" 1
1622 1 21 ILE HA 1 97 VAL MG2 . . 4.590 4.223 3.936 4.519 . 0 0 "[ . 1 . 2]" 1
1623 1 96 ILE HA 1 97 VAL MG2 . . 4.260 3.972 3.848 4.120 . 0 0 "[ . 1 . 2]" 1
1624 1 37 TRP HB2 1 97 VAL MG2 . . 3.870 3.488 3.268 3.859 . 0 0 "[ . 1 . 2]" 1
1625 1 95 PHE HB3 1 97 VAL MG2 . . 4.370 3.840 3.630 4.018 . 0 0 "[ . 1 . 2]" 1
1626 1 48 TYR HB3 1 97 VAL MG2 . . 5.080 4.601 4.350 4.788 . 0 0 "[ . 1 . 2]" 1
1627 1 21 ILE HB 1 97 VAL MG2 . . 5.500 5.052 4.798 5.317 . 0 0 "[ . 1 . 2]" 1
1628 1 51 GLN QG 1 97 VAL MG2 . . 5.500 5.330 4.755 5.507 0.007 5 0 "[ . 1 . 2]" 1
1629 1 19 PRO HG2 1 97 VAL MG2 . . 4.510 4.266 3.976 4.501 . 0 0 "[ . 1 . 2]" 1
1630 1 35 VAL HB 1 97 VAL MG2 . . 4.800 4.064 3.809 4.232 . 0 0 "[ . 1 . 2]" 1
1631 1 21 ILE HG12 1 97 VAL MG2 . . 4.220 2.430 2.065 2.773 . 0 0 "[ . 1 . 2]" 1
1632 1 77 ILE MG 1 97 VAL MG2 . . 4.830 4.782 4.626 4.848 0.018 14 0 "[ . 1 . 2]" 1
1633 1 21 ILE MD 1 97 VAL MG2 . . 2.980 2.763 2.520 2.986 0.006 11 0 "[ . 1 . 2]" 1
1634 1 74 VAL MG1 1 77 ILE H . . 5.370 5.241 5.027 5.346 . 0 0 "[ . 1 . 2]" 1
1635 1 52 TYR QE 1 74 VAL MG1 . . 4.980 4.653 4.401 4.895 . 0 0 "[ . 1 . 2]" 1
1636 1 74 VAL HA 1 74 VAL MG1 . . 3.210 2.391 2.314 2.462 . 0 0 "[ . 1 . 2]" 1
1637 1 74 VAL MG1 1 75 PRO HD2 . . 4.210 3.137 2.993 3.227 . 0 0 "[ . 1 . 2]" 1
1638 1 74 VAL MG1 1 77 ILE HG13 . . 3.640 3.362 3.099 3.584 . 0 0 "[ . 1 . 2]" 1
1639 1 50 LEU MD2 1 74 VAL MG1 . . 4.120 3.774 3.383 3.994 . 0 0 "[ . 1 . 2]" 1
1640 1 74 VAL MG1 1 77 ILE HA . . 5.150 4.772 4.604 4.996 . 0 0 "[ . 1 . 2]" 1
1641 1 74 VAL MG1 1 77 ILE MG . . 4.680 4.323 4.107 4.560 . 0 0 "[ . 1 . 2]" 1
1642 1 31 ASP HA 1 87 LEU HB3 . . 4.570 3.704 3.452 4.200 . 0 0 "[ . 1 . 2]" 1
1643 1 31 ASP HA 1 115 THR MG . . 4.340 3.741 3.185 4.344 0.004 3 0 "[ . 1 . 2]" 1
1644 1 73 ILE HA 1 74 VAL MG2 . . 4.230 3.575 3.363 3.793 . 0 0 "[ . 1 . 2]" 1
1645 1 73 ILE MG 1 74 VAL MG2 . . 4.630 4.100 3.926 4.206 . 0 0 "[ . 1 . 2]" 1
1646 1 74 VAL MG2 1 84 VAL MG1 . . 4.990 3.966 3.506 4.446 . 0 0 "[ . 1 . 2]" 1
1647 1 87 LEU MD2 1 88 GLN H . . 3.500 3.301 3.165 3.475 . 0 0 "[ . 1 . 2]" 1
1648 1 87 LEU MD2 1 93 TYR QE . . 3.540 2.373 2.159 2.691 . 0 0 "[ . 1 . 2]" 1
1649 1 52 TYR QE 1 87 LEU MD2 . . 3.190 3.024 2.391 3.195 0.005 6 0 "[ . 1 . 2]" 1
1650 1 87 LEU HA 1 87 LEU MD2 . . 2.900 2.223 2.098 2.331 . 0 0 "[ . 1 . 2]" 1
1651 1 86 GLY QA 1 87 LEU MD2 . . 4.860 4.475 4.230 4.698 . 0 0 "[ . 1 . 2]" 1
1652 1 87 LEU MD2 1 88 GLN QG . . 4.650 4.467 4.153 4.652 0.002 1 0 "[ . 1 . 2]" 1
1653 1 72 MET ME 1 87 LEU MD2 . . 4.450 4.098 3.665 4.461 0.011 11 0 "[ . 1 . 2]" 1
1654 1 84 VAL MG2 1 87 LEU MD2 . . 4.120 3.903 3.598 4.128 0.008 11 0 "[ . 1 . 2]" 1
1655 1 101 ASN HD22 1 103 ALA MB . . 3.970 2.110 1.799 2.476 . 0 0 "[ . 1 . 2]" 1
1656 1 15 ALA H 1 103 ALA MB . . 3.740 3.614 3.259 3.788 0.048 19 0 "[ . 1 . 2]" 1
1657 1 16 PRO HD2 1 103 ALA MB . . 4.330 3.971 3.544 4.256 . 0 0 "[ . 1 . 2]" 1
1658 1 74 VAL H 1 74 VAL MG2 . . 3.380 2.978 2.891 3.096 . 0 0 "[ . 1 . 2]" 1
1659 1 50 LEU H 1 74 VAL MG2 . . 5.260 4.812 4.559 5.001 . 0 0 "[ . 1 . 2]" 1
1660 1 74 VAL MG2 1 82 TYR QE . . 3.550 3.428 3.252 3.562 0.012 19 0 "[ . 1 . 2]" 1
1661 1 52 TYR QE 1 74 VAL MG2 . . 3.140 2.142 1.908 2.447 . 0 0 "[ . 1 . 2]" 1
1662 1 74 VAL HA 1 74 VAL MG2 . . 3.280 2.339 2.220 2.427 . 0 0 "[ . 1 . 2]" 1
1663 1 74 VAL MG2 1 75 PRO HD3 . . 4.530 4.436 4.352 4.482 . 0 0 "[ . 1 . 2]" 1
1664 1 50 LEU MD2 1 74 VAL MG2 . . 3.740 3.347 2.885 3.570 . 0 0 "[ . 1 . 2]" 1
1665 1 74 VAL MG2 1 75 PRO HD2 . . 4.530 3.840 3.683 3.927 . 0 0 "[ . 1 . 2]" 1
1666 1 59 ALA MB 1 60 ASN H . . 4.430 2.470 2.121 3.410 . 0 0 "[ . 1 . 2]" 1
1667 1 97 VAL MG1 1 98 LYS H . . 3.640 2.482 2.131 2.872 . 0 0 "[ . 1 . 2]" 1
1668 1 49 GLU H 1 97 VAL MG1 . . 4.130 3.205 2.819 3.409 . 0 0 "[ . 1 . 2]" 1
1669 1 97 VAL MG1 1 99 ALA H . . 4.670 3.665 3.426 4.069 . 0 0 "[ . 1 . 2]" 1
1670 1 97 VAL H 1 97 VAL MG1 . . 3.780 3.753 3.735 3.768 . 0 0 "[ . 1 . 2]" 1
1671 1 48 TYR HD1 1 97 VAL MG1 . . 3.750 2.342 2.117 2.512 . 0 0 "[ . 1 . 2]" 1
1672 1 48 TYR QE 1 97 VAL MG1 . . 3.980 2.871 2.680 3.052 . 0 0 "[ . 1 . 2]" 1
1673 1 37 TRP HE1 1 97 VAL MG1 . . 4.460 4.224 3.965 4.421 . 0 0 "[ . 1 . 2]" 1
1674 1 97 VAL HA 1 97 VAL MG1 . . 3.370 2.441 2.351 2.498 . 0 0 "[ . 1 . 2]" 1
1675 1 19 PRO HD3 1 97 VAL MG1 . . 4.830 3.960 3.814 4.103 . 0 0 "[ . 1 . 2]" 1
1676 1 37 TRP HB2 1 97 VAL MG1 . . 3.760 3.288 3.085 3.488 . 0 0 "[ . 1 . 2]" 1
1677 1 48 TYR HB3 1 97 VAL MG1 . . 3.840 3.226 2.901 3.438 . 0 0 "[ . 1 . 2]" 1
1678 1 19 PRO HB3 1 97 VAL MG1 . . 3.970 3.166 2.837 3.443 . 0 0 "[ . 1 . 2]" 1
1679 1 19 PRO HG2 1 97 VAL MG1 . . 3.340 2.886 2.690 3.137 . 0 0 "[ . 1 . 2]" 1
1680 1 19 PRO HB2 1 97 VAL MG1 . . 3.640 3.022 2.572 3.360 . 0 0 "[ . 1 . 2]" 1
1681 1 97 VAL MG1 1 99 ALA MB . . 3.840 3.634 3.510 3.862 0.022 11 0 "[ . 1 . 2]" 1
1682 1 50 LEU MD1 1 97 VAL MG1 . . 3.920 3.649 3.509 3.822 . 0 0 "[ . 1 . 2]" 1
1683 1 80 ASN HA 1 80 ASN HD21 . . 4.830 3.491 2.549 4.175 . 0 0 "[ . 1 . 2]" 1
1684 1 37 TRP HD1 1 97 VAL MG1 . . 4.390 3.819 3.594 3.967 . 0 0 "[ . 1 . 2]" 1
1685 1 19 PRO HD2 1 97 VAL MG1 . . 4.270 4.224 4.092 4.280 0.010 2 0 "[ . 1 . 2]" 1
1686 1 37 TRP HB3 1 97 VAL MG1 . . 4.340 3.385 3.187 3.786 . 0 0 "[ . 1 . 2]" 1
1687 1 48 TYR QE 1 80 ASN HA . . 5.340 5.121 4.629 5.349 0.009 14 0 "[ . 1 . 2]" 1
1688 1 37 TRP HZ2 1 80 ASN HA . . 4.100 3.536 3.306 3.870 . 0 0 "[ . 1 . 2]" 1
1689 1 37 TRP HE1 1 80 ASN HA . . 3.580 2.129 1.913 2.394 . 0 0 "[ . 1 . 2]" 1
1690 1 79 GLN QG 1 80 ASN HA . . 4.640 4.209 3.872 4.418 . 0 0 "[ . 1 . 2]" 1
1691 1 15 ALA HA 1 104 GLY H . . 4.720 3.446 2.958 3.951 . 0 0 "[ . 1 . 2]" 1
1692 1 15 ALA HA 1 16 PRO HD3 . . 3.390 2.275 2.252 2.359 . 0 0 "[ . 1 . 2]" 1
1693 1 15 ALA HA 1 103 ALA MB . . 3.570 2.620 2.061 3.076 . 0 0 "[ . 1 . 2]" 1
1694 1 48 TYR H 1 77 ILE MG . . 4.380 3.964 3.478 4.185 . 0 0 "[ . 1 . 2]" 1
1695 1 77 ILE MG 1 78 LYS H . . 3.310 2.933 2.559 3.177 . 0 0 "[ . 1 . 2]" 1
1696 1 37 TRP HZ2 1 77 ILE MG . . 3.100 2.227 2.000 2.384 . 0 0 "[ . 1 . 2]" 1
1697 1 37 TRP HH2 1 77 ILE MG . . 3.360 2.841 2.579 3.080 . 0 0 "[ . 1 . 2]" 1
1698 1 77 ILE MG 1 81 HIS H . . 4.670 4.263 4.138 4.600 . 0 0 "[ . 1 . 2]" 1
1699 1 37 TRP HE1 1 77 ILE MG . . 4.640 3.978 3.704 4.079 . 0 0 "[ . 1 . 2]" 1
1700 1 77 ILE MG 1 78 LYS HA . . 4.180 3.758 3.490 3.927 . 0 0 "[ . 1 . 2]" 1
1701 1 77 ILE MG 1 79 GLN HA . . 4.810 4.520 4.445 4.623 . 0 0 "[ . 1 . 2]" 1
1702 1 77 ILE HA 1 77 ILE MG . . 3.210 2.378 2.283 2.430 . 0 0 "[ . 1 . 2]" 1
1703 1 77 ILE MG 1 82 TYR HB2 . . 3.730 2.546 2.332 2.908 . 0 0 "[ . 1 . 2]" 1
1704 1 48 TYR HB2 1 77 ILE MG . . 3.800 2.682 2.468 2.880 . 0 0 "[ . 1 . 2]" 1
1705 1 48 TYR HB3 1 77 ILE MG . . 3.610 2.813 2.529 3.013 . 0 0 "[ . 1 . 2]" 1
1706 1 77 ILE MG 1 79 GLN QG . . 3.420 2.239 1.950 2.784 . 0 0 "[ . 1 . 2]" 1
1707 1 77 ILE MG 1 79 GLN HB3 . . 4.530 4.192 4.045 4.332 . 0 0 "[ . 1 . 2]" 1
1708 1 50 LEU MD1 1 77 ILE MG . . 4.460 4.135 3.981 4.333 . 0 0 "[ . 1 . 2]" 1
1709 1 50 LEU MD2 1 77 ILE MG . . 4.860 4.336 4.026 4.668 . 0 0 "[ . 1 . 2]" 1
1710 1 77 ILE HG12 1 77 ILE MG . . 3.310 2.381 2.280 2.557 . 0 0 "[ . 1 . 2]" 1
1711 1 15 ALA HA 1 101 ASN HD22 . . 4.230 3.561 2.639 3.898 . 0 0 "[ . 1 . 2]" 1
1712 1 46 SER H 1 100 ILE MG . . 4.650 4.471 4.120 4.651 0.001 16 0 "[ . 1 . 2]" 1
1713 1 100 ILE MG 1 101 ASN H . . 3.190 2.338 2.012 2.688 . 0 0 "[ . 1 . 2]" 1
1714 1 100 ILE HA 1 100 ILE MG . . 3.260 2.353 2.259 2.463 . 0 0 "[ . 1 . 2]" 1
1715 1 100 ILE H 1 100 ILE MG . . 4.070 3.853 3.807 3.898 . 0 0 "[ . 1 . 2]" 1
1716 1 47 SER H 1 100 ILE MG . . 4.430 4.318 4.059 4.445 0.015 17 0 "[ . 1 . 2]" 1
1717 1 46 SER QB 1 100 ILE MG . . 4.120 3.689 3.322 4.108 . 0 0 "[ . 1 . 2]" 1
1718 1 45 ILE MG 1 100 ILE MG . . 4.690 4.437 4.303 4.568 . 0 0 "[ . 1 . 2]" 1
1719 1 33 ILE MG 1 34 THR H . . 3.430 2.281 2.021 2.494 . 0 0 "[ . 1 . 2]" 1
1720 1 33 ILE MG 1 35 VAL H . . 4.250 3.737 3.319 3.997 . 0 0 "[ . 1 . 2]" 1
1721 1 33 ILE H 1 33 ILE MG . . 4.310 3.907 3.834 3.961 . 0 0 "[ . 1 . 2]" 1
1722 1 33 ILE MG 1 95 PHE QD . . 4.230 3.806 3.598 4.076 . 0 0 "[ . 1 . 2]" 1
1723 1 33 ILE MG 1 95 PHE QE . . 3.730 2.613 2.235 3.054 . 0 0 "[ . 1 . 2]" 1
1724 1 33 ILE MG 1 95 PHE HZ . . 3.900 2.666 2.230 3.158 . 0 0 "[ . 1 . 2]" 1
1725 1 28 ALA HA 1 33 ILE MG . . 4.090 2.842 2.432 3.144 . 0 0 "[ . 1 . 2]" 1
1726 1 33 ILE HA 1 33 ILE MG . . 3.390 2.411 2.337 2.490 . 0 0 "[ . 1 . 2]" 1
1727 1 33 ILE MG 1 35 VAL HB . . 4.990 4.621 4.450 4.916 . 0 0 "[ . 1 . 2]" 1
1728 1 33 ILE MG 1 84 VAL HB . . 5.240 4.305 3.967 4.518 . 0 0 "[ . 1 . 2]" 1
1729 1 33 ILE HG13 1 33 ILE MG . . 3.490 3.189 3.172 3.203 . 0 0 "[ . 1 . 2]" 1
1730 1 33 ILE HG12 1 33 ILE MG . . 3.070 2.389 2.196 2.487 . 0 0 "[ . 1 . 2]" 1
1731 1 33 ILE MD 1 33 ILE MG . . 2.820 2.011 1.898 2.234 . 0 0 "[ . 1 . 2]" 1
1732 1 33 ILE MG 1 113 LEU MD1 . . 2.900 2.323 2.034 2.570 . 0 0 "[ . 1 . 2]" 1
1733 1 33 ILE MG 1 87 LEU MD1 . . 3.820 3.500 3.274 3.714 . 0 0 "[ . 1 . 2]" 1
1734 1 118 GLN HA 1 119 PRO HD3 . . 3.150 2.316 2.252 2.369 . 0 0 "[ . 1 . 2]" 1
1735 1 30 HIS HB2 1 119 PRO HD3 . . 4.590 2.549 2.056 2.998 . 0 0 "[ . 1 . 2]" 1
1736 1 118 GLN QG 1 119 PRO HD3 . . 4.550 3.240 3.072 4.041 . 0 0 "[ . 1 . 2]" 1
1737 1 118 GLN HA 1 119 PRO HD2 . . 3.130 2.404 2.153 2.551 . 0 0 "[ . 1 . 2]" 1
1738 1 118 GLN QG 1 119 PRO HD2 . . 4.220 2.281 1.816 3.323 . 0 0 "[ . 1 . 2]" 1
1739 1 30 HIS HB2 1 119 PRO HD2 . . 4.860 4.174 3.158 4.772 . 0 0 "[ . 1 . 2]" 1
1740 1 30 HIS HB3 1 119 PRO HD2 . . 4.680 3.820 3.563 4.054 . 0 0 "[ . 1 . 2]" 1
1741 1 94 ILE MG 1 111 THR H . . 4.030 2.806 2.359 2.981 . 0 0 "[ . 1 . 2]" 1
1742 1 55 PHE QD 1 94 ILE MG . . 4.590 4.577 4.465 4.620 0.030 13 0 "[ . 1 . 2]" 1
1743 1 53 THR MG 1 94 ILE MG . . 3.460 3.381 3.229 3.495 0.035 11 0 "[ . 1 . 2]" 1
1744 1 45 ILE MG 1 46 SER H . . 3.400 2.660 2.342 2.929 . 0 0 "[ . 1 . 2]" 1
1745 1 45 ILE MG 1 100 ILE H . . 3.590 2.429 2.118 2.863 . 0 0 "[ . 1 . 2]" 1
1746 1 45 ILE MG 1 48 TYR QE . . 3.820 3.370 3.151 3.540 . 0 0 "[ . 1 . 2]" 1
1747 1 45 ILE MG 1 48 TYR HA . . 4.770 3.278 3.128 3.510 . 0 0 "[ . 1 . 2]" 1
1748 1 45 ILE MG 1 47 SER HA . . 4.000 3.304 3.069 3.482 . 0 0 "[ . 1 . 2]" 1
1749 1 45 ILE HA 1 45 ILE MG . . 3.220 2.387 2.278 2.475 . 0 0 "[ . 1 . 2]" 1
1750 1 16 PRO HB2 1 45 ILE MG . . 4.620 4.281 3.912 4.594 . 0 0 "[ . 1 . 2]" 1
1751 1 16 PRO HB3 1 45 ILE MG . . 4.620 4.246 3.939 4.611 . 0 0 "[ . 1 . 2]" 1
1752 1 45 ILE MG 1 100 ILE HB . . 4.830 3.915 3.692 4.146 . 0 0 "[ . 1 . 2]" 1
1753 1 45 ILE HG12 1 45 ILE MG . . 3.330 2.331 2.257 2.434 . 0 0 "[ . 1 . 2]" 1
1754 1 45 ILE HG13 1 45 ILE MG . . 3.500 3.193 3.186 3.201 . 0 0 "[ . 1 . 2]" 1
1755 1 73 ILE MG 1 75 PRO HD2 . . 4.160 3.835 3.510 4.156 . 0 0 "[ . 1 . 2]" 1
1756 1 74 VAL HA 1 75 PRO HD2 . . 3.350 1.931 1.919 1.948 . 0 0 "[ . 1 . 2]" 1
1757 1 109 GLU HA 1 110 PRO QD . . 3.060 2.061 2.041 2.069 . 0 0 "[ . 1 . 2]" 1
1758 1 74 VAL HA 1 75 PRO HD3 . . 3.350 2.618 2.567 2.674 . 0 0 "[ . 1 . 2]" 1
1759 1 74 VAL MG1 1 75 PRO HD3 . . 4.210 4.219 4.144 4.252 0.042 8 0 "[ . 1 . 2]" 1
1760 1 94 ILE MG 1 95 PHE H . . 3.020 2.249 1.913 2.668 . 0 0 "[ . 1 . 2]" 1
1761 1 94 ILE HA 1 94 ILE MG . . 3.330 2.433 2.345 2.514 . 0 0 "[ . 1 . 2]" 1
1762 1 21 ILE H 1 21 ILE MG . . 3.870 3.762 3.747 3.778 . 0 0 "[ . 1 . 2]" 1
1763 1 71 TRP HZ2 1 94 ILE MG . . 4.150 4.031 3.531 4.159 0.009 12 0 "[ . 1 . 2]" 1
1764 1 71 TRP HH2 1 94 ILE MG . . 3.100 2.092 1.906 2.316 . 0 0 "[ . 1 . 2]" 1
1765 1 94 ILE MG 1 110 PRO HA . . 4.310 2.836 2.699 3.063 . 0 0 "[ . 1 . 2]" 1
1766 1 37 TRP HB2 1 38 ILE MG . . 5.090 4.582 4.081 4.769 . 0 0 "[ . 1 . 2]" 1
1767 1 55 PHE HB2 1 94 ILE MG . . 4.910 4.658 4.370 4.824 . 0 0 "[ . 1 . 2]" 1
1768 1 62 ILE MG 1 63 SER H . . 3.740 3.286 3.020 3.522 . 0 0 "[ . 1 . 2]" 1
1769 1 21 ILE HA 1 21 ILE MG . . 3.350 2.398 2.280 2.482 . 0 0 "[ . 1 . 2]" 1
1770 1 62 ILE HA 1 62 ILE MG . . 3.150 2.400 2.288 2.472 . 0 0 "[ . 1 . 2]" 1
1771 1 62 ILE MG 1 66 ASN HB2 . . 4.640 3.339 2.607 4.303 . 0 0 "[ . 1 . 2]" 1
1772 1 21 ILE MG 1 95 PHE HB2 . . 4.480 3.560 3.258 3.782 . 0 0 "[ . 1 . 2]" 1
1773 1 62 ILE H 1 62 ILE MG . . 3.810 3.769 3.763 3.789 . 0 0 "[ . 1 . 2]" 1
1774 1 51 GLN HA 1 73 ILE MG . . 4.220 4.052 3.145 4.263 0.043 19 0 "[ . 1 . 2]" 1
1775 1 73 ILE MG 1 74 VAL H . . 3.320 2.025 1.816 2.355 . 0 0 "[ . 1 . 2]" 1
1776 1 73 ILE H 1 73 ILE MG . . 3.950 3.882 3.815 3.924 . 0 0 "[ . 1 . 2]" 1
1777 1 73 ILE HA 1 73 ILE MG . . 3.140 2.338 2.155 2.462 . 0 0 "[ . 1 . 2]" 1
1778 1 73 ILE MG 1 74 VAL HA . . 3.850 3.521 3.350 3.781 . 0 0 "[ . 1 . 2]" 1
1779 1 73 ILE MG 1 75 PRO HD3 . . 4.160 2.439 2.048 2.818 . 0 0 "[ . 1 . 2]" 1
1780 1 49 GLU HG2 1 73 ILE MG . . 3.250 2.191 1.837 2.893 . 0 0 "[ . 1 . 2]" 1
1781 1 49 GLU HG3 1 73 ILE MG . . 3.250 2.261 1.835 3.256 0.006 13 0 "[ . 1 . 2]" 1
1782 1 45 ILE MG 1 48 TYR HD1 . . 5.350 4.031 3.816 4.241 . 0 0 "[ . 1 . 2]" 1
1783 1 45 ILE MG 1 48 TYR HD2 . . 5.500 3.611 3.282 3.890 . 0 0 "[ . 1 . 2]" 1
1784 1 45 ILE MG 1 101 ASN HB3 . . 4.670 3.467 3.085 3.786 . 0 0 "[ . 1 . 2]" 1
1785 1 16 PRO HD3 1 105 SER HA . . 4.670 3.675 3.434 3.969 . 0 0 "[ . 1 . 2]" 1
1786 1 16 PRO HD3 1 103 ALA MB . . 3.610 2.807 2.361 3.170 . 0 0 "[ . 1 . 2]" 1
1787 1 16 PRO HD3 1 101 ASN HD22 . . 4.620 2.684 1.917 3.118 . 0 0 "[ . 1 . 2]" 1
1788 1 18 PRO HA 1 19 PRO HD3 . . 3.580 2.326 2.294 2.364 . 0 0 "[ . 1 . 2]" 1
1789 1 18 PRO HB3 1 19 PRO HD3 . . 4.880 4.547 4.464 4.623 . 0 0 "[ . 1 . 2]" 1
1790 1 19 PRO HD3 1 106 ARG HB3 . . 4.910 3.756 3.584 4.169 . 0 0 "[ . 1 . 2]" 1
1791 1 16 PRO HD2 1 105 SER HA . . 4.490 3.398 3.037 3.837 . 0 0 "[ . 1 . 2]" 1
1792 1 16 PRO HD2 1 101 ASN HD22 . . 4.680 4.244 3.509 4.676 . 0 0 "[ . 1 . 2]" 1
1793 1 15 ALA HA 1 16 PRO HD2 . . 3.400 2.257 2.089 2.531 . 0 0 "[ . 1 . 2]" 1
1794 1 72 MET H 1 72 MET ME . . 4.280 2.872 2.284 3.786 . 0 0 "[ . 1 . 2]" 1
1795 1 54 ILE H 1 72 MET ME . . 4.610 3.297 2.808 4.154 . 0 0 "[ . 1 . 2]" 1
1796 1 72 MET ME 1 93 TYR QE . . 4.260 3.532 3.123 3.943 . 0 0 "[ . 1 . 2]" 1
1797 1 52 TYR QD 1 72 MET ME . . 4.140 2.841 2.393 3.749 . 0 0 "[ . 1 . 2]" 1
1798 1 52 TYR QE 1 72 MET ME . . 4.300 2.523 2.020 3.870 . 0 0 "[ . 1 . 2]" 1
1799 1 53 THR HA 1 72 MET ME . . 3.570 2.393 1.972 3.352 . 0 0 "[ . 1 . 2]" 1
1800 1 72 MET HB2 1 72 MET ME . . 3.590 2.151 1.926 3.299 . 0 0 "[ . 1 . 2]" 1
1801 1 72 MET HB3 1 72 MET ME . . 3.590 3.225 2.099 3.583 . 0 0 "[ . 1 . 2]" 1
1802 1 22 ARG HD3 1 38 ILE MG . . 3.630 2.375 1.976 3.624 . 0 0 "[ . 1 . 2]" 1
1803 1 22 ARG QG 1 38 ILE MG . . 3.040 2.368 2.111 2.648 . 0 0 "[ . 1 . 2]" 1
1804 1 38 ILE HG13 1 38 ILE MG . . 3.080 2.643 2.476 3.116 0.036 9 0 "[ . 1 . 2]" 1
1805 1 38 ILE HG12 1 38 ILE MG . . 3.080 2.187 2.041 3.174 0.094 5 0 "[ . 1 . 2]" 1
1806 1 49 GLU HA 1 73 ILE MG . . 4.200 3.795 3.346 4.188 . 0 0 "[ . 1 . 2]" 1
1807 1 96 ILE MG 1 110 PRO HA . . 4.570 3.940 3.730 4.050 . 0 0 "[ . 1 . 2]" 1
1808 1 96 ILE MG 1 97 VAL HA . . 4.110 3.890 3.785 3.955 . 0 0 "[ . 1 . 2]" 1
1809 1 21 ILE MD 1 96 ILE MG . . 4.070 3.766 3.482 4.039 . 0 0 "[ . 1 . 2]" 1
1810 1 53 THR MG 1 94 ILE H . . 4.010 3.299 2.999 3.499 . 0 0 "[ . 1 . 2]" 1
1811 1 53 THR MG 1 71 TRP HZ2 . . 3.910 2.751 2.435 3.069 . 0 0 "[ . 1 . 2]" 1
1812 1 53 THR MG 1 71 TRP HZ3 . . 4.100 3.136 2.640 3.659 . 0 0 "[ . 1 . 2]" 1
1813 1 53 THR HA 1 53 THR MG . . 3.530 3.198 3.189 3.206 . 0 0 "[ . 1 . 2]" 1
1814 1 53 THR MG 1 94 ILE HB . . 3.370 2.542 2.319 2.798 . 0 0 "[ . 1 . 2]" 1
1815 1 53 THR MG 1 94 ILE HG12 . . 5.230 4.908 4.631 5.229 . 0 0 "[ . 1 . 2]" 1
1816 1 53 THR MG 1 94 ILE MD . . 3.640 3.204 2.931 3.508 . 0 0 "[ . 1 . 2]" 1
1817 1 17 ASN HB2 1 18 PRO HD2 . . 4.000 3.394 2.416 4.021 0.021 13 0 "[ . 1 . 2]" 1
1818 1 18 PRO HD2 1 106 ARG HG2 . . 4.200 4.015 3.738 4.200 0.000 6 0 "[ . 1 . 2]" 1
1819 1 123 GLY QA 1 124 PRO QD . . 2.940 1.936 1.844 2.109 . 0 0 "[ . 1 . 2]" 1
1820 1 53 THR HB 1 72 MET ME . . 4.680 3.840 2.862 4.703 0.023 19 0 "[ . 1 . 2]" 1
1821 1 38 ILE MG 1 39 SER H . . 4.110 3.888 3.744 4.015 . 0 0 "[ . 1 . 2]" 1
1822 1 65 TYR QE 1 96 ILE MG . . 4.540 4.074 3.570 4.443 . 0 0 "[ . 1 . 2]" 1
1823 1 96 ILE MG 1 108 SER H . . 3.680 2.686 2.317 3.009 . 0 0 "[ . 1 . 2]" 1
1824 1 96 ILE MG 1 97 VAL H . . 3.460 3.014 2.818 3.177 . 0 0 "[ . 1 . 2]" 1
1825 1 96 ILE MG 1 107 ASN HA . . 3.850 3.446 3.096 3.668 . 0 0 "[ . 1 . 2]" 1
1826 1 96 ILE HA 1 96 ILE MG . . 3.240 2.483 2.430 2.540 . 0 0 "[ . 1 . 2]" 1
1827 1 53 THR MG 1 71 TRP HE3 . . 4.070 3.519 3.194 3.753 . 0 0 "[ . 1 . 2]" 1
1828 1 15 ALA MB 1 17 ASN H . . 5.390 5.239 5.030 5.410 0.020 7 0 "[ . 1 . 2]" 1
1829 1 15 ALA MB 1 106 ARG H . . 5.500 5.321 4.946 5.507 0.007 6 0 "[ . 1 . 2]" 1
1830 1 15 ALA H 1 15 ALA MB . . 2.790 2.631 2.444 2.829 0.039 20 0 "[ . 1 . 2]" 1
1831 1 14 THR H 1 15 ALA MB . . 5.280 4.951 4.701 5.118 . 0 0 "[ . 1 . 2]" 1
1832 1 15 ALA MB 1 104 GLY H . . 5.500 4.710 3.860 5.202 . 0 0 "[ . 1 . 2]" 1
1833 1 15 ALA MB 1 101 ASN HD22 . . 5.310 4.810 4.014 5.095 . 0 0 "[ . 1 . 2]" 1
1834 1 15 ALA MB 1 105 SER HA . . 5.320 5.088 4.658 5.321 0.001 15 0 "[ . 1 . 2]" 1
1835 1 14 THR HB 1 15 ALA MB . . 4.950 4.705 4.127 4.906 . 0 0 "[ . 1 . 2]" 1
1836 1 15 ALA MB 1 104 GLY HA3 . . 4.610 4.166 3.439 4.586 . 0 0 "[ . 1 . 2]" 1
1837 1 15 ALA MB 1 16 PRO HD3 . . 3.660 3.454 3.132 3.685 0.025 10 0 "[ . 1 . 2]" 1
1838 1 15 ALA MB 1 106 ARG HD2 . . 4.810 4.028 3.046 4.797 . 0 0 "[ . 1 . 2]" 1
1839 1 15 ALA MB 1 106 ARG HD3 . . 4.810 3.455 2.627 4.439 . 0 0 "[ . 1 . 2]" 1
1840 1 15 ALA MB 1 16 PRO HD2 . . 3.120 2.313 1.943 2.634 . 0 0 "[ . 1 . 2]" 1
1841 1 15 ALA MB 1 16 PRO HB2 . . 5.500 5.205 4.900 5.428 . 0 0 "[ . 1 . 2]" 1
1842 1 54 ILE MG 1 55 PHE H . . 3.290 2.691 2.300 2.954 . 0 0 "[ . 1 . 2]" 1
1843 1 54 ILE H 1 54 ILE MG . . 3.780 3.745 3.711 3.763 . 0 0 "[ . 1 . 2]" 1
1844 1 54 ILE MG 1 93 TYR HA . . 4.690 4.492 4.249 4.615 . 0 0 "[ . 1 . 2]" 1
1845 1 54 ILE MG 1 55 PHE HA . . 4.370 3.724 3.475 4.112 . 0 0 "[ . 1 . 2]" 1
1846 1 54 ILE MG 1 91 THR HA . . 5.190 5.066 4.749 5.192 0.002 5 0 "[ . 1 . 2]" 1
1847 1 54 ILE HA 1 54 ILE MG . . 3.250 2.456 2.396 2.505 . 0 0 "[ . 1 . 2]" 1
1848 1 54 ILE MG 1 55 PHE HB2 . . 5.500 4.887 4.635 5.075 . 0 0 "[ . 1 . 2]" 1
1849 1 54 ILE MG 1 88 GLN QG . . 5.500 4.270 3.612 5.495 . 0 0 "[ . 1 . 2]" 1
1850 1 53 THR MG 1 54 ILE MG . . 5.160 5.013 4.815 5.165 0.005 11 0 "[ . 1 . 2]" 1
1851 1 54 ILE MG 1 92 ARG H . . 4.690 4.312 3.967 4.535 . 0 0 "[ . 1 . 2]" 1
1852 1 54 ILE MG 1 93 TYR QD . . 5.330 4.516 4.390 4.621 . 0 0 "[ . 1 . 2]" 1
1853 1 54 ILE MG 1 56 THR HA . . 4.380 4.208 3.970 4.390 0.010 20 0 "[ . 1 . 2]" 1
1854 1 54 ILE MG 1 88 GLN HB2 . . 5.020 4.447 3.937 4.926 . 0 0 "[ . 1 . 2]" 1
1855 1 54 ILE MG 1 92 ARG HB2 . . 5.370 4.450 4.022 4.812 . 0 0 "[ . 1 . 2]" 1
1856 1 49 GLU H 1 77 ILE MD . . 4.420 4.036 3.655 4.407 . 0 0 "[ . 1 . 2]" 1
1857 1 50 LEU H 1 77 ILE MD . . 3.550 2.005 1.862 2.469 . 0 0 "[ . 1 . 2]" 1
1858 1 77 ILE MD 1 82 TYR QD . . 3.500 3.026 2.320 3.326 . 0 0 "[ . 1 . 2]" 1
1859 1 37 TRP HH2 1 77 ILE MD . . 3.590 3.339 2.996 3.580 . 0 0 "[ . 1 . 2]" 1
1860 1 49 GLU HA 1 77 ILE MD . . 3.780 2.434 2.060 3.211 . 0 0 "[ . 1 . 2]" 1
1861 1 77 ILE MD 1 82 TYR HB2 . . 3.840 3.161 2.540 3.449 . 0 0 "[ . 1 . 2]" 1
1862 1 48 TYR HB3 1 77 ILE MD . . 3.930 3.445 3.238 3.782 . 0 0 "[ . 1 . 2]" 1
1863 1 77 ILE MD 1 82 TYR HB3 . . 4.300 3.534 3.133 3.830 . 0 0 "[ . 1 . 2]" 1
1864 1 74 VAL HB 1 77 ILE MD . . 3.320 2.686 2.392 2.972 . 0 0 "[ . 1 . 2]" 1
1865 1 77 ILE HB 1 77 ILE MD . . 3.190 2.521 2.441 2.592 . 0 0 "[ . 1 . 2]" 1
1866 1 50 LEU HB2 1 77 ILE MD . . 3.340 2.010 1.890 2.184 . 0 0 "[ . 1 . 2]" 1
1867 1 77 ILE MD 1 77 ILE MG . . 2.900 1.922 1.852 2.044 . 0 0 "[ . 1 . 2]" 1
1868 1 50 LEU HB3 1 77 ILE MD . . 3.340 2.592 2.401 2.809 . 0 0 "[ . 1 . 2]" 1
1869 1 74 VAL H 1 77 ILE MD . . 4.540 3.694 3.580 3.787 . 0 0 "[ . 1 . 2]" 1
1870 1 48 TYR H 1 77 ILE MD . . 5.400 4.826 4.319 5.079 . 0 0 "[ . 1 . 2]" 1
1871 1 51 GLN H 1 77 ILE MD . . 5.500 5.154 5.020 5.409 . 0 0 "[ . 1 . 2]" 1
1872 1 77 ILE HA 1 77 ILE MD . . 3.850 3.790 3.629 3.859 0.009 1 0 "[ . 1 . 2]" 1
1873 1 83 THR MG 1 85 HIS HE1 . . 4.080 3.937 3.703 4.087 0.007 12 0 "[ . 1 . 2]" 1
1874 1 81 HIS HB3 1 81 HIS HE1 . . 5.010 4.725 4.721 4.740 . 0 0 "[ . 1 . 2]" 1
1875 1 36 HIS HE1 1 81 HIS HB2 . . 4.730 4.391 4.140 4.601 . 0 0 "[ . 1 . 2]" 1
1876 1 36 HIS HE1 1 81 HIS HB3 . . 4.580 4.131 3.845 4.501 . 0 0 "[ . 1 . 2]" 1
1877 1 34 THR MG 1 36 HIS HE1 . . 4.470 3.729 3.432 4.220 . 0 0 "[ . 1 . 2]" 1
1878 1 25 LEU MD1 1 36 HIS HE1 . . 5.500 5.160 4.901 5.376 . 0 0 "[ . 1 . 2]" 1
1879 1 25 LEU MD2 1 36 HIS HE1 . . 5.500 5.343 5.089 5.508 0.008 19 0 "[ . 1 . 2]" 1
1880 1 10 LEU MD1 1 12 TYR QD . . 5.030 3.263 2.133 5.083 0.053 2 0 "[ . 1 . 2]" 1
1881 1 10 LEU MD2 1 12 TYR QD . . 5.030 3.738 2.365 5.014 . 0 0 "[ . 1 . 2]" 1
1882 1 12 TYR H 1 12 TYR QD . . 4.140 3.144 1.961 3.715 . 0 0 "[ . 1 . 2]" 1
1883 1 12 TYR HA 1 12 TYR QD . . 3.700 3.332 2.654 3.658 . 0 0 "[ . 1 . 2]" 1
1884 1 12 TYR QD 1 13 LEU HA . . 4.510 3.498 2.817 4.583 0.073 12 0 "[ . 1 . 2]" 1
1885 1 12 TYR QD 1 14 THR HA . . 4.790 4.345 3.017 4.791 0.001 11 0 "[ . 1 . 2]" 1
1886 1 12 TYR QD 1 14 THR MG . . 4.150 2.261 1.893 3.438 . 0 0 "[ . 1 . 2]" 1
1887 1 79 GLN HE21 1 82 TYR QD . . 4.280 2.128 1.908 2.390 . 0 0 "[ . 1 . 2]" 1
1888 1 77 ILE MG 1 82 TYR QD . . 3.660 2.622 2.410 2.838 . 0 0 "[ . 1 . 2]" 1
1889 1 74 VAL MG2 1 82 TYR QD . . 4.990 4.492 4.174 4.683 . 0 0 "[ . 1 . 2]" 1
1890 1 82 TYR QD 1 84 VAL MG1 . . 4.450 4.380 4.292 4.452 0.002 4 0 "[ . 1 . 2]" 1
1891 1 74 VAL MG1 1 82 TYR QD . . 4.550 3.361 3.000 3.635 . 0 0 "[ . 1 . 2]" 1
1892 1 62 ILE MG 1 65 TYR QD . . 5.150 4.408 3.845 4.970 . 0 0 "[ . 1 . 2]" 1
1893 1 61 PHE QE 1 65 TYR QD . . 4.200 3.246 2.348 4.155 . 0 0 "[ . 1 . 2]" 1
1894 1 65 TYR HA 1 65 TYR QD . . 3.350 2.011 1.990 2.053 . 0 0 "[ . 1 . 2]" 1
1895 1 62 ILE HA 1 65 TYR QD . . 4.250 3.782 3.221 4.168 . 0 0 "[ . 1 . 2]" 1
1896 1 65 TYR QD 1 68 VAL HB . . 5.440 4.848 3.829 5.444 0.004 10 0 "[ . 1 . 2]" 1
1897 1 52 TYR QD 1 84 VAL MG1 . . 4.230 3.178 2.900 3.564 . 0 0 "[ . 1 . 2]" 1
1898 1 52 TYR QD 1 93 TYR QD . . 3.790 2.976 2.742 3.178 . 0 0 "[ . 1 . 2]" 1
1899 1 52 TYR QD 1 87 LEU MD2 . . 4.550 2.933 2.347 3.335 . 0 0 "[ . 1 . 2]" 1
1900 1 52 TYR QD 1 95 PHE QD . . 4.740 4.053 3.417 4.623 . 0 0 "[ . 1 . 2]" 1
1901 1 50 LEU HG 1 52 TYR QD . . 4.210 3.055 2.308 3.522 . 0 0 "[ . 1 . 2]" 1
1902 1 52 TYR QD 1 53 THR HA . . 4.860 3.738 3.404 4.159 . 0 0 "[ . 1 . 2]" 1
1903 1 52 TYR QD 1 74 VAL MG2 . . 4.350 3.768 3.020 4.096 . 0 0 "[ . 1 . 2]" 1
1904 1 94 ILE HA 1 95 PHE QD . . 4.580 3.423 3.097 3.690 . 0 0 "[ . 1 . 2]" 1
1905 1 52 TYR HB2 1 95 PHE QD . . 4.700 3.782 3.357 4.228 . 0 0 "[ . 1 . 2]" 1
1906 1 55 PHE QE 1 94 ILE MD . . 4.070 3.045 2.874 3.202 . 0 0 "[ . 1 . 2]" 1
1907 1 120 PHE HA 1 120 PHE QD . . 4.000 2.861 2.224 3.682 . 0 0 "[ . 1 . 2]" 1
1908 1 119 PRO HB2 1 120 PHE QD . . 4.910 4.297 2.704 4.849 . 0 0 "[ . 1 . 2]" 1
1909 1 61 PHE QD 1 94 ILE MD . . 4.610 3.258 2.515 3.828 . 0 0 "[ . 1 . 2]" 1
1910 1 50 LEU HG 1 95 PHE QD . . 4.130 3.102 2.784 3.440 . 0 0 "[ . 1 . 2]" 1
1911 1 43 PHE HA 1 43 PHE QE . . 5.240 4.634 4.502 4.812 . 0 0 "[ . 1 . 2]" 1
1912 1 55 PHE HA 1 55 PHE QE . . 5.500 4.704 4.590 4.869 . 0 0 "[ . 1 . 2]" 1
1913 1 55 PHE QE 1 92 ARG HD3 . . 5.330 4.556 3.704 5.099 . 0 0 "[ . 1 . 2]" 1
1914 1 55 PHE QE 1 92 ARG HD2 . . 3.900 3.388 2.148 3.890 . 0 0 "[ . 1 . 2]" 1
1915 1 42 GLU HG2 1 43 PHE QD . . 4.730 3.657 2.450 4.388 . 0 0 "[ . 1 . 2]" 1
1916 1 43 PHE HA 1 43 PHE QD . . 3.690 2.926 2.362 3.140 . 0 0 "[ . 1 . 2]" 1
1917 1 42 GLU HA 1 43 PHE QD . . 5.110 4.870 4.375 5.103 . 0 0 "[ . 1 . 2]" 1
1918 1 42 GLU HG3 1 43 PHE QD . . 4.730 3.777 2.557 4.729 . 0 0 "[ . 1 . 2]" 1
1919 1 55 PHE HA 1 55 PHE QD . . 3.960 3.034 2.840 3.247 . 0 0 "[ . 1 . 2]" 1
1920 1 55 PHE QD 1 92 ARG HB2 . . 4.230 2.978 1.993 3.453 . 0 0 "[ . 1 . 2]" 1
1921 1 55 PHE QD 1 92 ARG HB3 . . 4.520 3.215 2.211 3.697 . 0 0 "[ . 1 . 2]" 1
1922 1 55 PHE QD 1 94 ILE HG13 . . 4.180 3.322 3.072 3.647 . 0 0 "[ . 1 . 2]" 1
1923 1 55 PHE QD 1 94 ILE HG12 . . 4.450 4.156 3.660 4.386 . 0 0 "[ . 1 . 2]" 1
1924 1 61 PHE QE 1 62 ILE MD . . 4.890 3.830 3.089 4.742 . 0 0 "[ . 1 . 2]" 1
1925 1 61 PHE QE 1 94 ILE MG . . 5.080 3.461 2.780 4.170 . 0 0 "[ . 1 . 2]" 1
1926 1 93 TYR HB2 1 95 PHE QE . . 4.130 2.822 2.478 3.198 . 0 0 "[ . 1 . 2]" 1
1927 1 50 LEU HG 1 95 PHE QE . . 4.780 4.366 4.084 4.747 . 0 0 "[ . 1 . 2]" 1
1928 1 61 PHE QE 1 71 TRP HH2 . . 5.140 3.406 2.794 4.082 . 0 0 "[ . 1 . 2]" 1
1929 1 55 PHE HZ 1 94 ILE MD . . 5.140 4.540 4.137 5.008 . 0 0 "[ . 1 . 2]" 1
1930 1 61 PHE HZ 1 110 PRO HB2 . . 5.360 4.003 3.154 4.748 . 0 0 "[ . 1 . 2]" 1
1931 1 61 PHE HZ 1 110 PRO HG3 . . 5.500 3.228 1.995 4.259 . 0 0 "[ . 1 . 2]" 1
1932 1 61 PHE HZ 1 94 ILE MG . . 4.850 3.851 3.273 4.849 . 0 0 "[ . 1 . 2]" 1
1933 1 71 TRP HA 1 71 TRP HD1 . . 4.230 3.332 3.110 3.653 . 0 0 "[ . 1 . 2]" 1
1934 1 93 TYR HB3 1 95 PHE HZ . . 4.820 3.215 2.894 3.690 . 0 0 "[ . 1 . 2]" 1
1935 1 33 ILE MD 1 95 PHE HZ . . 3.520 2.311 2.016 2.671 . 0 0 "[ . 1 . 2]" 1
1936 1 87 LEU MD2 1 95 PHE HZ . . 5.230 3.316 2.897 3.696 . 0 0 "[ . 1 . 2]" 1
1937 1 93 TYR HB2 1 95 PHE HZ . . 4.820 4.016 3.633 4.264 . 0 0 "[ . 1 . 2]" 1
1938 1 84 VAL HB 1 95 PHE HZ . . 5.500 3.570 3.240 4.041 . 0 0 "[ . 1 . 2]" 1
1939 1 33 ILE HB 1 95 PHE HZ . . 4.160 2.389 2.100 2.712 . 0 0 "[ . 1 . 2]" 1
1940 1 96 ILE HA 1 110 PRO HA . . 4.200 3.599 3.432 3.951 . 0 0 "[ . 1 . 2]" 1
1941 1 96 ILE HG12 1 110 PRO HA . . 4.150 2.028 1.963 2.117 . 0 0 "[ . 1 . 2]" 1
1942 1 37 TRP HD1 1 48 TYR QE . . 4.180 3.974 3.851 4.129 . 0 0 "[ . 1 . 2]" 1
1943 1 37 TRP HD1 1 80 ASN HA . . 4.390 3.355 3.127 3.593 . 0 0 "[ . 1 . 2]" 1
1944 1 37 TRP HD1 1 80 ASN QB . . 4.360 4.212 3.937 4.374 0.014 11 0 "[ . 1 . 2]" 1
1945 1 19 PRO HB3 1 37 TRP HD1 . . 4.240 4.073 3.785 4.242 0.002 7 0 "[ . 1 . 2]" 1
1946 1 37 TRP HD1 1 38 ILE H . . 4.840 4.571 4.179 4.761 . 0 0 "[ . 1 . 2]" 1
1947 1 37 TRP HA 1 37 TRP HD1 . . 4.860 4.462 4.393 4.509 . 0 0 "[ . 1 . 2]" 1
1948 1 32 THR HA 1 85 HIS HA . . 3.940 2.882 2.458 3.244 . 0 0 "[ . 1 . 2]" 1
1949 1 32 THR HA 1 87 LEU HG . . 4.260 3.383 2.993 3.928 . 0 0 "[ . 1 . 2]" 1
1950 1 32 THR HA 1 87 LEU MD1 . . 4.040 2.284 1.968 2.543 . 0 0 "[ . 1 . 2]" 1
1951 1 89 SER HA 1 115 THR HG1 . . 3.870 2.181 1.962 2.381 . 0 0 "[ . 1 . 2]" 1
1952 1 89 SER HA 1 115 THR MG . . 4.400 3.763 3.291 4.097 . 0 0 "[ . 1 . 2]" 1
1953 1 53 THR MG 1 71 TRP HH2 . . 4.280 2.948 2.586 3.339 . 0 0 "[ . 1 . 2]" 1
1954 1 71 TRP HH2 1 94 ILE HB . . 4.190 3.187 2.639 3.432 . 0 0 "[ . 1 . 2]" 1
1955 1 37 TRP HH2 1 50 LEU MD1 . . 4.820 3.043 2.681 3.388 . 0 0 "[ . 1 . 2]" 1
1956 1 37 TRP HH2 1 50 LEU MD2 . . 5.500 3.668 3.326 3.959 . 0 0 "[ . 1 . 2]" 1
1957 1 95 PHE HA 1 96 ILE HB . . 4.430 4.390 4.315 4.457 0.027 12 0 "[ . 1 . 2]" 1
1958 1 95 PHE HA 1 95 PHE QD . . 4.100 2.984 2.843 3.127 . 0 0 "[ . 1 . 2]" 1
1959 1 71 TRP HZ3 1 95 PHE HA . . 4.410 3.960 3.628 4.274 . 0 0 "[ . 1 . 2]" 1
1960 1 94 ILE MG 1 95 PHE HA . . 4.190 3.506 3.160 3.749 . 0 0 "[ . 1 . 2]" 1
1961 1 71 TRP HZ3 1 96 ILE MD . . 4.150 2.325 1.955 2.670 . 0 0 "[ . 1 . 2]" 1
1962 1 37 TRP HZ3 1 82 TYR HB3 . . 4.870 3.125 2.909 3.322 . 0 0 "[ . 1 . 2]" 1
1963 1 83 THR HB 1 85 HIS HD2 . . 4.820 3.116 2.666 3.417 . 0 0 "[ . 1 . 2]" 1
1964 1 53 THR H 1 71 TRP HZ3 . . 4.710 4.368 3.872 4.726 0.016 8 0 "[ . 1 . 2]" 1
1965 1 71 TRP HZ3 1 96 ILE HB . . 4.670 3.079 2.550 3.580 . 0 0 "[ . 1 . 2]" 1
1966 1 71 TRP HZ3 1 94 ILE MG . . 4.230 2.967 2.277 3.461 . 0 0 "[ . 1 . 2]" 1
1967 1 81 HIS HD2 1 82 TYR H . . 5.220 4.980 4.792 5.179 . 0 0 "[ . 1 . 2]" 1
1968 1 79 GLN QG 1 81 HIS HD2 . . 4.610 3.924 3.338 4.336 . 0 0 "[ . 1 . 2]" 1
1969 1 34 THR MG 1 81 HIS HD2 . . 4.120 3.800 3.640 3.999 . 0 0 "[ . 1 . 2]" 1
1970 1 52 TYR HA 1 95 PHE H . . 5.500 4.868 4.531 5.026 . 0 0 "[ . 1 . 2]" 1
1971 1 52 TYR HA 1 71 TRP HZ3 . . 4.080 3.576 3.116 3.994 . 0 0 "[ . 1 . 2]" 1
1972 1 52 TYR HA 1 52 TYR QD . . 4.270 3.713 3.664 3.740 . 0 0 "[ . 1 . 2]" 1
1973 1 52 TYR HA 1 95 PHE HA . . 4.030 2.610 2.336 2.812 . 0 0 "[ . 1 . 2]" 1
1974 1 52 TYR HA 1 94 ILE MG . . 4.490 4.364 3.496 4.532 0.042 15 0 "[ . 1 . 2]" 1
1975 1 52 TYR HA 1 53 THR MG . . 4.490 3.742 3.491 3.899 . 0 0 "[ . 1 . 2]" 1
1976 1 100 ILE HA 1 105 SER HA . . 3.740 2.401 2.177 2.566 . 0 0 "[ . 1 . 2]" 1
1977 1 32 THR MG 1 85 HIS HD2 . . 4.190 2.760 2.123 3.392 . 0 0 "[ . 1 . 2]" 1
1978 1 84 VAL HA 1 85 HIS HD2 . . 4.700 3.737 3.233 4.318 . 0 0 "[ . 1 . 2]" 1
1979 1 48 TYR HA 1 77 ILE MG . . 5.060 4.869 4.686 5.064 0.004 2 0 "[ . 1 . 2]" 1
1980 1 48 TYR HA 1 99 ALA MB . . 5.310 4.135 3.850 4.477 . 0 0 "[ . 1 . 2]" 1
1981 1 48 TYR HA 1 97 VAL MG1 . . 4.710 4.220 4.075 4.382 . 0 0 "[ . 1 . 2]" 1
1982 1 100 ILE MG 1 105 SER HA . . 4.240 3.771 3.433 3.953 . 0 0 "[ . 1 . 2]" 1
1983 1 21 ILE HA 1 37 TRP HA . . 3.690 2.239 2.066 2.446 . 0 0 "[ . 1 . 2]" 1
1984 1 22 ARG QG 1 37 TRP HA . . 4.020 3.426 3.144 3.651 . 0 0 "[ . 1 . 2]" 1
1985 1 21 ILE MG 1 37 TRP HA . . 4.300 3.912 3.661 4.112 . 0 0 "[ . 1 . 2]" 1
1986 1 37 TRP HA 1 38 ILE MG . . 4.590 3.734 3.509 3.863 . 0 0 "[ . 1 . 2]" 1
1987 1 71 TRP HA 1 71 TRP HE3 . . 4.550 4.152 3.796 4.392 . 0 0 "[ . 1 . 2]" 1
1988 1 52 TYR HA 1 71 TRP HE3 . . 4.400 3.866 3.193 4.321 . 0 0 "[ . 1 . 2]" 1
1989 1 71 TRP QB 1 71 TRP HE3 . . 3.760 2.385 2.375 2.409 . 0 0 "[ . 1 . 2]" 1
1990 1 51 GLN HB3 1 71 TRP HE3 . . 3.970 2.278 2.077 2.507 . 0 0 "[ . 1 . 2]" 1
1991 1 71 TRP HE3 1 96 ILE HB . . 5.500 4.267 3.799 4.579 . 0 0 "[ . 1 . 2]" 1
1992 1 71 TRP HE3 1 73 ILE MD . . 5.500 4.755 3.262 5.400 . 0 0 "[ . 1 . 2]" 1
1993 1 95 PHE H 1 112 ARG HA . . 4.150 3.841 3.573 4.104 . 0 0 "[ . 1 . 2]" 1
1994 1 94 ILE HA 1 112 ARG HA . . 3.670 2.422 1.971 2.708 . 0 0 "[ . 1 . 2]" 1
1995 1 112 ARG HA 1 112 ARG HG2 . . 4.060 2.537 2.196 3.504 . 0 0 "[ . 1 . 2]" 1
1996 1 94 ILE HG12 1 112 ARG HA . . 4.100 2.573 2.400 2.744 . 0 0 "[ . 1 . 2]" 1
1997 1 33 ILE MD 1 114 LYS HA . . 4.420 4.074 3.577 4.354 . 0 0 "[ . 1 . 2]" 1
1998 1 114 LYS HA 1 114 LYS HG2 . . 4.000 2.268 2.177 2.379 . 0 0 "[ . 1 . 2]" 1
1999 1 114 LYS HA 1 114 LYS HG3 . . 3.930 3.180 2.917 3.614 . 0 0 "[ . 1 . 2]" 1
2000 1 91 THR H 1 114 LYS HA . . 4.820 4.343 3.838 4.661 . 0 0 "[ . 1 . 2]" 1
2001 1 49 GLU HA 1 100 ILE MD . . 5.500 3.998 3.662 4.270 . 0 0 "[ . 1 . 2]" 1
2002 1 82 TYR QE 1 84 VAL HB . . 4.950 4.733 4.528 4.908 . 0 0 "[ . 1 . 2]" 1
2003 1 82 TYR QE 1 84 VAL MG1 . . 3.680 3.477 3.253 3.631 . 0 0 "[ . 1 . 2]" 1
2004 1 77 ILE MD 1 82 TYR QE . . 4.100 3.891 3.523 4.091 . 0 0 "[ . 1 . 2]" 1
2005 1 36 HIS H 1 36 HIS HD2 . . 4.090 2.586 2.210 2.966 . 0 0 "[ . 1 . 2]" 1
2006 1 26 CYS HA 1 36 HIS HD2 . . 3.500 2.384 2.027 2.787 . 0 0 "[ . 1 . 2]" 1
2007 1 34 THR HB 1 36 HIS HD2 . . 4.900 3.568 3.038 3.880 . 0 0 "[ . 1 . 2]" 1
2008 1 25 LEU HB3 1 36 HIS HD2 . . 4.910 4.752 4.567 4.914 0.004 2 0 "[ . 1 . 2]" 1
2009 1 79 GLN HE21 1 82 TYR QE . . 5.220 4.254 4.055 4.482 . 0 0 "[ . 1 . 2]" 1
2010 1 82 TYR QE 1 83 THR H . . 5.500 4.507 4.281 4.826 . 0 0 "[ . 1 . 2]" 1
2011 1 82 TYR QE 1 84 VAL HA . . 3.450 2.130 1.997 2.353 . 0 0 "[ . 1 . 2]" 1
2012 1 77 ILE MG 1 82 TYR QE . . 4.740 4.444 4.287 4.629 . 0 0 "[ . 1 . 2]" 1
2013 1 82 TYR QE 1 84 VAL MG2 . . 3.400 2.626 2.221 3.049 . 0 0 "[ . 1 . 2]" 1
2014 1 74 VAL MG1 1 82 TYR QE . . 3.440 2.293 1.989 2.717 . 0 0 "[ . 1 . 2]" 1
2015 1 93 TYR QE 1 115 THR H . . 5.500 5.396 5.225 5.505 0.005 14 0 "[ . 1 . 2]" 1
2016 1 52 TYR QE 1 93 TYR QE . . 4.100 4.039 3.750 4.103 0.003 19 0 "[ . 1 . 2]" 1
2017 1 87 LEU MD1 1 93 TYR QE . . 4.280 4.105 3.901 4.266 . 0 0 "[ . 1 . 2]" 1
2018 1 91 THR H 1 93 TYR QE . . 4.670 4.364 4.223 4.638 . 0 0 "[ . 1 . 2]" 1
2019 1 93 TYR QE 1 115 THR MG . . 3.830 3.537 3.370 3.788 . 0 0 "[ . 1 . 2]" 1
2020 1 54 ILE HA 1 93 TYR QE . . 4.580 3.699 3.472 3.914 . 0 0 "[ . 1 . 2]" 1
2021 1 35 VAL HA 1 36 HIS HD2 . . 4.510 3.021 2.628 3.923 . 0 0 "[ . 1 . 2]" 1
2022 1 12 TYR HA 1 12 TYR QE . . 5.340 5.241 4.366 5.551 0.211 16 0 "[ . 1 . 2]" 1
2023 1 88 GLN HA 1 93 TYR QE . . 5.500 4.602 4.367 4.992 . 0 0 "[ . 1 . 2]" 1
2024 1 88 GLN HB2 1 93 TYR QE . . 4.630 2.620 2.248 3.104 . 0 0 "[ . 1 . 2]" 1
2025 1 10 LEU HG 1 12 TYR QE . . 5.500 4.829 3.299 5.503 0.003 12 0 "[ . 1 . 2]" 1
2026 1 12 TYR QE 1 13 LEU QB . . 5.500 5.083 2.906 5.629 0.129 17 0 "[ . 1 . 2]" 1
2027 1 54 ILE HG13 1 93 TYR QE . . 3.710 2.319 1.997 2.549 . 0 0 "[ . 1 . 2]" 1
2028 1 36 HIS HD2 1 81 HIS HB2 . . 4.660 3.745 3.130 4.088 . 0 0 "[ . 1 . 2]" 1
2029 1 51 GLN HA 1 71 TRP HE3 . . 4.700 3.900 3.645 4.244 . 0 0 "[ . 1 . 2]" 1
2030 1 51 GLN HA 1 71 TRP HZ3 . . 5.500 5.284 4.978 5.520 0.020 19 0 "[ . 1 . 2]" 1
2031 1 51 GLN HA 1 52 TYR QD . . 4.390 3.322 2.785 3.630 . 0 0 "[ . 1 . 2]" 1
2032 1 51 GLN HA 1 73 ILE HA . . 3.790 2.840 2.437 3.012 . 0 0 "[ . 1 . 2]" 1
2033 1 51 GLN HA 1 51 GLN QG . . 3.670 2.432 2.325 2.633 . 0 0 "[ . 1 . 2]" 1
2034 1 50 LEU MD1 1 51 GLN HA . . 5.500 5.088 4.882 5.249 . 0 0 "[ . 1 . 2]" 1
2035 1 50 LEU MD2 1 51 GLN HA . . 5.500 5.016 4.698 5.203 . 0 0 "[ . 1 . 2]" 1
2036 1 30 HIS HD2 1 31 ASP HA . . 4.600 4.551 4.471 4.618 0.018 13 0 "[ . 1 . 2]" 1
2037 1 30 HIS HB2 1 30 HIS HD2 . . 3.820 2.729 2.714 2.770 . 0 0 "[ . 1 . 2]" 1
2038 1 61 PHE QE 1 65 TYR QE . . 5.230 4.098 3.497 4.819 . 0 0 "[ . 1 . 2]" 1
2039 1 65 TYR QE 1 71 TRP HZ2 . . 4.550 4.138 3.561 4.553 0.003 17 0 "[ . 1 . 2]" 1
2040 1 65 TYR HA 1 65 TYR QE . . 4.420 4.246 4.167 4.351 . 0 0 "[ . 1 . 2]" 1
2041 1 65 TYR QE 1 110 PRO HG3 . . 5.500 5.350 4.639 5.504 0.004 8 0 "[ . 1 . 2]" 1
2042 1 62 ILE MD 1 65 TYR QE . . 5.500 4.986 4.241 5.505 0.005 19 0 "[ . 1 . 2]" 1
2043 1 65 TYR QE 1 94 ILE MG . . 5.500 5.141 4.694 5.507 0.007 13 0 "[ . 1 . 2]" 1
2044 1 65 TYR QE 1 96 ILE MD . . 3.580 2.602 2.230 2.943 . 0 0 "[ . 1 . 2]" 1
2045 1 51 GLN HA 1 73 ILE HG13 . . 4.840 3.378 3.060 4.729 . 0 0 "[ . 1 . 2]" 1
2046 1 65 TYR QE 1 96 ILE HB . . 5.060 4.729 4.051 5.063 0.003 11 0 "[ . 1 . 2]" 1
2047 1 48 TYR QE 1 99 ALA H . . 4.870 3.995 3.641 4.356 . 0 0 "[ . 1 . 2]" 1
2048 1 19 PRO HD2 1 48 TYR QE . . 5.060 4.847 4.547 5.021 . 0 0 "[ . 1 . 2]" 1
2049 1 37 TRP HE1 1 48 TYR QE . . 3.900 3.858 3.717 3.905 0.005 11 0 "[ . 1 . 2]" 1
2050 1 19 PRO HB3 1 48 TYR QE . . 4.280 2.675 2.288 2.971 . 0 0 "[ . 1 . 2]" 1
2051 1 19 PRO HG3 1 48 TYR QE . . 3.900 2.746 2.463 2.911 . 0 0 "[ . 1 . 2]" 1
2052 1 48 TYR QE 1 99 ALA MB . . 3.400 2.081 1.961 2.515 . 0 0 "[ . 1 . 2]" 1
2053 1 19 PRO HA 1 48 TYR QE . . 5.390 4.680 4.227 5.037 . 0 0 "[ . 1 . 2]" 1
2054 1 98 LYS HA 1 107 ASN HA . . 3.800 2.477 2.213 2.652 . 0 0 "[ . 1 . 2]" 1
2055 1 28 ALA HA 1 33 ILE HA . . 3.850 2.639 2.447 2.726 . 0 0 "[ . 1 . 2]" 1
2056 1 37 TRP HZ2 1 48 TYR HB2 . . 4.460 4.148 3.941 4.331 . 0 0 "[ . 1 . 2]" 1
2057 1 37 TRP HZ2 1 48 TYR HB3 . . 4.320 4.090 3.804 4.321 0.001 7 0 "[ . 1 . 2]" 1
2058 1 37 TRP HZ2 1 77 ILE MD . . 4.250 3.862 3.526 4.052 . 0 0 "[ . 1 . 2]" 1
2059 1 65 TYR QD 1 71 TRP HZ2 . . 3.360 2.515 2.099 2.859 . 0 0 "[ . 1 . 2]" 1
2060 1 64 LEU HG 1 71 TRP HZ2 . . 3.780 3.521 2.958 3.787 0.007 9 0 "[ . 1 . 2]" 1
2061 1 72 MET HA 1 72 MET HG3 . . 3.650 2.414 2.157 3.778 0.128 11 0 "[ . 1 . 2]" 1
2062 1 15 ALA MB 1 106 ARG HB2 . . 3.580 3.329 2.853 3.593 0.013 14 0 "[ . 1 . 2]" 1
2063 1 13 LEU QB 1 103 ALA MB . . 4.170 3.714 3.006 4.025 . 0 0 "[ . 1 . 2]" 1
2064 1 55 PHE HB2 1 92 ARG HB2 . . 4.640 4.495 4.144 4.654 0.014 7 0 "[ . 1 . 2]" 1
2065 1 35 VAL MG2 1 84 VAL MG2 . . 4.120 3.560 3.289 3.856 . 0 0 "[ . 1 . 2]" 1
2066 1 84 VAL MG2 1 95 PHE QD . . 4.150 3.471 3.105 3.678 . 0 0 "[ . 1 . 2]" 1
2067 1 84 VAL MG1 1 87 LEU MD2 . . 2.880 2.139 1.880 2.433 . 0 0 "[ . 1 . 2]" 1
2068 1 84 VAL MG1 1 87 LEU MD1 . . 3.230 2.687 2.330 3.048 . 0 0 "[ . 1 . 2]" 1
2069 1 84 VAL MG1 1 87 LEU HG . . 3.150 2.556 2.279 2.750 . 0 0 "[ . 1 . 2]" 1
2070 1 96 ILE MG 1 97 VAL MG2 . . 4.770 4.550 4.482 4.612 . 0 0 "[ . 1 . 2]" 1
2071 1 13 LEU QB 1 13 LEU MD1 . . 2.810 2.094 1.923 2.472 . 0 0 "[ . 1 . 2]" 1
2072 1 25 LEU HB3 1 25 LEU MD1 . . 3.150 2.396 2.282 2.516 . 0 0 "[ . 1 . 2]" 1
2073 1 25 LEU HB2 1 25 LEU MD1 . . 3.000 2.251 2.159 2.357 . 0 0 "[ . 1 . 2]" 1
2074 1 25 LEU HB3 1 25 LEU MD2 . . 3.400 2.300 2.198 2.392 . 0 0 "[ . 1 . 2]" 1
2075 1 25 LEU HB2 1 25 LEU MD2 . . 3.290 3.186 3.176 3.195 . 0 0 "[ . 1 . 2]" 1
2076 1 111 THR MG 1 113 LEU MD2 . . 3.010 2.144 1.900 2.399 . 0 0 "[ . 1 . 2]" 1
2077 1 33 ILE MG 1 113 LEU MD2 . . 4.170 4.058 3.894 4.180 0.010 8 0 "[ . 1 . 2]" 1
2078 1 17 ASN HB3 1 18 PRO HD2 . . 4.000 3.175 2.394 4.008 0.008 11 0 "[ . 1 . 2]" 1
2079 1 62 ILE HG13 1 62 ILE MG . . 3.330 2.375 2.224 2.501 . 0 0 "[ . 1 . 2]" 1
2080 1 28 ALA MB 1 33 ILE MD . . 3.050 2.818 2.500 3.045 . 0 0 "[ . 1 . 2]" 1
2081 1 33 ILE MD 1 87 LEU MD2 . . 3.860 3.357 3.120 3.758 . 0 0 "[ . 1 . 2]" 1
2082 1 20 SER HB2 1 38 ILE MG . . 3.390 1.894 1.773 1.948 . 0 0 "[ . 1 . 2]" 1
2083 1 96 ILE HA 1 96 ILE HG12 . . 4.090 2.631 2.522 2.785 . 0 0 "[ . 1 . 2]" 1
2084 1 54 ILE HG13 1 54 ILE MG . . 3.310 3.162 3.137 3.185 . 0 0 "[ . 1 . 2]" 1
2085 1 54 ILE MG 1 91 THR MG . . 3.040 2.183 1.959 2.411 . 0 0 "[ . 1 . 2]" 1
2086 1 54 ILE HB 1 54 ILE MD . . 3.060 2.244 2.136 2.335 . 0 0 "[ . 1 . 2]" 1
2087 1 54 ILE MD 1 56 THR MG . . 4.450 4.217 3.903 4.400 . 0 0 "[ . 1 . 2]" 1
2088 1 73 ILE HB 1 73 ILE MD . . 3.070 2.330 2.090 3.206 0.136 8 0 "[ . 1 . 2]" 1
2089 1 94 ILE HA 1 113 LEU H . . 4.760 3.256 3.092 3.506 . 0 0 "[ . 1 . 2]" 1
2090 1 33 ILE HB 1 33 ILE MD . . 3.030 2.389 2.285 2.512 . 0 0 "[ . 1 . 2]" 1
2091 1 94 ILE MD 1 94 ILE MG . . 3.090 1.968 1.871 2.164 . 0 0 "[ . 1 . 2]" 1
2092 1 96 ILE HB 1 96 ILE MD . . 3.000 2.299 2.134 2.397 . 0 0 "[ . 1 . 2]" 1
2093 1 100 ILE HB 1 100 ILE MD . . 3.170 2.278 2.183 2.313 . 0 0 "[ . 1 . 2]" 1
2094 1 32 THR MG 1 83 THR MG . . 2.820 2.177 1.750 2.666 . 0 0 "[ . 1 . 2]" 1
2095 1 54 ILE HB 1 56 THR MG . . 4.220 3.869 3.289 4.132 . 0 0 "[ . 1 . 2]" 1
2096 1 54 ILE MG 1 56 THR MG . . 3.050 1.986 1.820 2.171 . 0 0 "[ . 1 . 2]" 1
2097 1 21 ILE HB 1 111 THR MG . . 3.500 3.393 3.075 3.515 0.015 19 0 "[ . 1 . 2]" 1
2098 1 111 THR MG 1 113 LEU HG . . 3.020 2.231 2.045 2.557 . 0 0 "[ . 1 . 2]" 1
2099 1 21 ILE MG 1 111 THR MG . . 2.770 2.081 1.895 2.382 . 0 0 "[ . 1 . 2]" 1
2100 1 33 ILE MD 1 115 THR MG . . 3.070 1.851 1.740 2.082 . 0 0 "[ . 1 . 2]" 1
2101 1 91 THR MG 1 93 TYR QE . . 3.480 2.753 2.359 3.028 . 0 0 "[ . 1 . 2]" 1
2102 1 50 LEU HA 1 77 ILE MD . . 4.440 3.573 3.455 3.858 . 0 0 "[ . 1 . 2]" 1
2103 1 75 PRO HA 1 77 ILE MD . . 4.950 3.728 3.351 4.156 . 0 0 "[ . 1 . 2]" 1
2104 1 8 GLU H 1 8 GLU QB . . 3.530 2.582 2.244 3.167 . 0 0 "[ . 1 . 2]" 1
2105 1 8 GLU H 1 8 GLU QG . . 4.670 3.369 2.246 4.307 . 0 0 "[ . 1 . 2]" 1
2106 1 8 GLU HA 1 8 GLU QG . . 3.590 2.850 2.313 3.481 . 0 0 "[ . 1 . 2]" 1
2107 1 8 GLU QB 1 8 GLU QG . . 2.290 2.023 1.962 2.086 . 0 0 "[ . 1 . 2]" 1
2108 1 9 GLY QA 1 10 LEU QB . . 5.340 4.132 3.726 4.451 . 0 0 "[ . 1 . 2]" 1
2109 1 9 GLY QA 1 10 LEU QD . . 4.210 3.356 2.448 4.236 0.026 17 0 "[ . 1 . 2]" 1
2110 1 10 LEU H 1 10 LEU QB . . 2.950 2.592 2.216 2.996 0.046 12 0 "[ . 1 . 2]" 1
2111 1 10 LEU H 1 10 LEU QD . . 4.050 2.818 1.865 3.666 . 0 0 "[ . 1 . 2]" 1
2112 1 10 LEU HA 1 10 LEU QD . . 3.070 2.419 1.919 3.255 0.185 12 0 "[ . 1 . 2]" 1
2113 1 10 LEU QB 1 11 ASP H . . 3.750 3.019 1.927 3.661 . 0 0 "[ . 1 . 2]" 1
2114 1 10 LEU QB 1 12 TYR H . . 4.000 2.869 2.362 3.622 . 0 0 "[ . 1 . 2]" 1
2115 1 10 LEU QB 1 12 TYR QD . . 4.390 2.528 1.980 3.678 . 0 0 "[ . 1 . 2]" 1
2116 1 10 LEU QD 1 11 ASP H . . 4.570 3.614 2.597 4.574 0.004 1 0 "[ . 1 . 2]" 1
2117 1 10 LEU QD 1 12 TYR QD . . 4.390 2.763 2.126 3.850 . 0 0 "[ . 1 . 2]" 1
2118 1 10 LEU QD 1 12 TYR QE . . 5.260 2.962 1.864 4.759 . 0 0 "[ . 1 . 2]" 1
2119 1 11 ASP H 1 11 ASP QB . . 3.420 2.586 2.185 3.207 . 0 0 "[ . 1 . 2]" 1
2120 1 11 ASP QB 1 12 TYR H . . 4.040 3.553 2.569 4.030 . 0 0 "[ . 1 . 2]" 1
2121 1 12 TYR H 1 12 TYR QB . . 3.130 2.260 2.059 2.526 . 0 0 "[ . 1 . 2]" 1
2122 1 12 TYR QB 1 13 LEU H . . 3.740 3.051 2.333 4.025 0.285 16 0 "[ . 1 . 2]" 1
2123 1 12 TYR QD 1 13 LEU QD . . 4.910 4.445 3.960 5.044 0.134 16 0 "[ . 1 . 2]" 1
2124 1 12 TYR QE 1 13 LEU QD . . 5.440 4.895 3.743 5.567 0.127 16 0 "[ . 1 . 2]" 1
2125 1 13 LEU H 1 13 LEU QD . . 3.920 3.710 1.935 3.991 0.071 16 0 "[ . 1 . 2]" 1
2126 1 13 LEU HA 1 13 LEU QD . . 3.160 2.716 1.927 3.366 0.206 10 0 "[ . 1 . 2]" 1
2127 1 13 LEU QD 1 14 THR H . . 4.220 3.619 2.662 4.249 0.029 20 0 "[ . 1 . 2]" 1
2128 1 13 LEU QD 1 14 THR HA . . 4.350 3.631 2.551 4.474 0.124 3 0 "[ . 1 . 2]" 1
2129 1 13 LEU QD 1 44 SER QB . . 3.860 2.946 2.143 3.766 . 0 0 "[ . 1 . 2]" 1
2130 1 13 LEU QD 1 101 ASN HB2 . . 4.510 3.754 3.065 4.510 . 0 0 "[ . 1 . 2]" 1
2131 1 13 LEU QD 1 101 ASN HB3 . . 5.440 4.597 3.926 5.452 0.012 2 0 "[ . 1 . 2]" 1
2132 1 13 LEU QD 1 101 ASN HD21 . . 3.960 2.509 1.822 3.519 . 0 0 "[ . 1 . 2]" 1
2133 1 13 LEU QD 1 102 GLN H . . 4.800 4.157 3.619 4.581 . 0 0 "[ . 1 . 2]" 1
2134 1 13 LEU QD 1 102 GLN HA . . 5.440 5.315 4.909 5.456 0.016 9 0 "[ . 1 . 2]" 1
2135 1 13 LEU QD 1 102 GLN QB . . 3.880 3.518 2.584 3.914 0.034 12 0 "[ . 1 . 2]" 1
2136 1 13 LEU QD 1 102 GLN QG . . 3.900 3.391 2.116 3.915 0.015 19 0 "[ . 1 . 2]" 1
2137 1 13 LEU QD 1 103 ALA H . . 3.900 3.049 2.826 3.373 . 0 0 "[ . 1 . 2]" 1
2138 1 13 LEU QD 1 103 ALA MB . . 3.480 1.959 1.728 2.514 . 0 0 "[ . 1 . 2]" 1
2139 1 15 ALA HA 1 16 PRO QG . . 4.540 3.920 3.828 4.086 . 0 0 "[ . 1 . 2]" 1
2140 1 15 ALA MB 1 16 PRO QB . . 4.840 4.637 4.375 4.822 . 0 0 "[ . 1 . 2]" 1
2141 1 15 ALA MB 1 106 ARG QD . . 4.030 3.171 2.492 3.882 . 0 0 "[ . 1 . 2]" 1
2142 1 16 PRO HA 1 17 ASN QB . . 4.630 4.373 4.098 4.590 . 0 0 "[ . 1 . 2]" 1
2143 1 16 PRO QB 1 45 ILE HG12 . . 3.500 2.705 2.431 2.932 . 0 0 "[ . 1 . 2]" 1
2144 1 16 PRO QB 1 45 ILE HG13 . . 4.630 3.836 3.501 4.190 . 0 0 "[ . 1 . 2]" 1
2145 1 16 PRO QB 1 45 ILE MD . . 3.480 3.084 2.872 3.244 . 0 0 "[ . 1 . 2]" 1
2146 1 16 PRO QB 1 101 ASN HD22 . . 5.260 3.181 2.709 4.085 . 0 0 "[ . 1 . 2]" 1
2147 1 16 PRO QB 1 103 ALA MB . . 5.340 4.432 3.974 4.926 . 0 0 "[ . 1 . 2]" 1
2148 1 16 PRO QG 1 17 ASN H . . 5.030 4.616 4.480 4.703 . 0 0 "[ . 1 . 2]" 1
2149 1 16 PRO QG 1 99 ALA MB . . 3.720 2.994 2.646 3.307 . 0 0 "[ . 1 . 2]" 1
2150 1 16 PRO QG 1 101 ASN H . . 5.350 3.046 2.799 3.450 . 0 0 "[ . 1 . 2]" 1
2151 1 16 PRO QG 1 105 SER H . . 4.720 3.736 3.419 4.018 . 0 0 "[ . 1 . 2]" 1
2152 1 16 PRO QG 1 105 SER HA . . 3.730 2.053 1.896 2.378 . 0 0 "[ . 1 . 2]" 1
2153 1 16 PRO QG 1 105 SER QB . . 4.730 3.695 3.563 3.942 . 0 0 "[ . 1 . 2]" 1
2154 1 16 PRO QG 1 106 ARG H . . 3.630 2.474 2.247 2.705 . 0 0 "[ . 1 . 2]" 1
2155 1 17 ASN H 1 17 ASN QB . . 3.440 2.427 2.185 2.770 . 0 0 "[ . 1 . 2]" 1
2156 1 17 ASN H 1 17 ASN QD . . 4.490 3.907 2.847 4.489 . 0 0 "[ . 1 . 2]" 1
2157 1 17 ASN QB 1 17 ASN QD . . 3.050 2.133 2.065 2.552 . 0 0 "[ . 1 . 2]" 1
2158 1 17 ASN QB 1 18 PRO QG . . 5.060 4.078 3.820 4.714 . 0 0 "[ . 1 . 2]" 1
2159 1 17 ASN QB 1 18 PRO HD2 . . 3.280 2.630 2.372 3.299 0.019 11 0 "[ . 1 . 2]" 1
2160 1 18 PRO QB 1 19 PRO HD2 . . 4.170 3.115 2.997 3.227 . 0 0 "[ . 1 . 2]" 1
2161 1 18 PRO QB 1 106 ARG HG2 . . 3.980 2.255 2.015 2.691 . 0 0 "[ . 1 . 2]" 1
2162 1 18 PRO QB 1 106 ARG HG3 . . 3.780 2.409 2.235 2.666 . 0 0 "[ . 1 . 2]" 1
2163 1 18 PRO QG 1 106 ARG HG2 . . 4.480 3.331 3.127 3.630 . 0 0 "[ . 1 . 2]" 1
2164 1 18 PRO QG 1 106 ARG HG3 . . 4.410 4.122 3.953 4.359 . 0 0 "[ . 1 . 2]" 1
2165 1 19 PRO HB3 1 108 SER QB . . 5.000 4.698 4.502 4.791 . 0 0 "[ . 1 . 2]" 1
2166 1 19 PRO HG2 1 21 ILE QG . . 5.030 4.005 3.750 4.211 . 0 0 "[ . 1 . 2]" 1
2167 1 19 PRO HG2 1 108 SER QB . . 4.240 2.000 1.969 2.058 . 0 0 "[ . 1 . 2]" 1
2168 1 19 PRO HG3 1 108 SER QB . . 3.840 3.445 3.310 3.573 . 0 0 "[ . 1 . 2]" 1
2169 1 19 PRO HD2 1 108 SER QB . . 4.100 2.463 2.221 2.666 . 0 0 "[ . 1 . 2]" 1
2170 1 20 SER HB2 1 22 ARG QD . . 4.470 4.378 4.121 4.484 0.014 8 0 "[ . 1 . 2]" 1
2171 1 20 SER HB2 1 38 ILE QG . . 4.310 4.126 3.827 4.291 . 0 0 "[ . 1 . 2]" 1
2172 1 20 SER HB3 1 22 ARG QD . . 5.340 3.502 3.298 3.675 . 0 0 "[ . 1 . 2]" 1
2173 1 20 SER HB3 1 38 ILE QG . . 5.270 5.016 4.876 5.172 . 0 0 "[ . 1 . 2]" 1
2174 1 21 ILE H 1 21 ILE QG . . 3.140 2.222 2.060 2.370 . 0 0 "[ . 1 . 2]" 1
2175 1 21 ILE H 1 108 SER QB . . 5.000 4.222 3.744 4.667 . 0 0 "[ . 1 . 2]" 1
2176 1 21 ILE HA 1 21 ILE QG . . 3.630 2.419 2.361 2.469 . 0 0 "[ . 1 . 2]" 1
2177 1 21 ILE MG 1 23 GLU QG . . 3.900 3.154 2.235 3.842 . 0 0 "[ . 1 . 2]" 1
2178 1 21 ILE QG 1 35 VAL MG1 . . 3.980 2.857 2.471 3.097 . 0 0 "[ . 1 . 2]" 1
2179 1 21 ILE QG 1 37 TRP HB2 . . 5.010 3.838 3.484 4.069 . 0 0 "[ . 1 . 2]" 1
2180 1 21 ILE QG 1 37 TRP HB3 . . 4.480 2.824 2.544 3.058 . 0 0 "[ . 1 . 2]" 1
2181 1 21 ILE QG 1 97 VAL HB . . 3.800 3.060 2.877 3.259 . 0 0 "[ . 1 . 2]" 1
2182 1 21 ILE QG 1 97 VAL MG2 . . 3.460 2.379 2.046 2.667 . 0 0 "[ . 1 . 2]" 1
2183 1 21 ILE QG 1 111 THR HB . . 4.710 4.392 4.174 4.597 . 0 0 "[ . 1 . 2]" 1
2184 1 21 ILE MD 1 108 SER QB . . 3.960 3.002 2.208 3.510 . 0 0 "[ . 1 . 2]" 1
2185 1 21 ILE MD 1 109 GLU QB . . 4.610 4.450 4.221 4.639 0.029 11 0 "[ . 1 . 2]" 1
2186 1 22 ARG H 1 22 ARG QB . . 3.550 2.443 2.395 2.505 . 0 0 "[ . 1 . 2]" 1
2187 1 22 ARG H 1 22 ARG QD . . 4.930 3.795 3.631 4.093 . 0 0 "[ . 1 . 2]" 1
2188 1 22 ARG QB 1 23 GLU H . . 4.480 3.379 3.190 3.829 . 0 0 "[ . 1 . 2]" 1
2189 1 22 ARG QB 1 24 GLU H . . 4.580 3.194 2.869 3.543 . 0 0 "[ . 1 . 2]" 1
2190 1 22 ARG QB 1 25 LEU H . . 3.680 2.552 2.431 2.626 . 0 0 "[ . 1 . 2]" 1
2191 1 22 ARG QB 1 25 LEU HB2 . . 4.200 2.316 2.117 2.564 . 0 0 "[ . 1 . 2]" 1
2192 1 22 ARG QB 1 25 LEU HG . . 4.080 2.132 1.970 2.284 . 0 0 "[ . 1 . 2]" 1
2193 1 22 ARG QB 1 25 LEU MD1 . . 3.540 2.275 1.924 2.491 . 0 0 "[ . 1 . 2]" 1
2194 1 22 ARG QB 1 25 LEU MD2 . . 3.830 3.629 3.531 3.754 . 0 0 "[ . 1 . 2]" 1
2195 1 22 ARG QB 1 36 HIS HB2 . . 4.160 2.695 2.490 3.059 . 0 0 "[ . 1 . 2]" 1
2196 1 22 ARG QG 1 24 GLU QG . . 5.070 4.194 3.984 4.612 . 0 0 "[ . 1 . 2]" 1
2197 1 22 ARG QG 1 38 ILE QG . . 4.700 4.305 4.096 4.710 0.010 9 0 "[ . 1 . 2]" 1
2198 1 22 ARG QD 1 25 LEU MD1 . . 3.520 3.424 3.071 3.572 0.052 8 0 "[ . 1 . 2]" 1
2199 1 22 ARG QD 1 25 LEU MD2 . . 5.340 4.871 4.362 5.138 . 0 0 "[ . 1 . 2]" 1
2200 1 22 ARG QD 1 38 ILE H . . 4.750 4.401 4.156 4.702 . 0 0 "[ . 1 . 2]" 1
2201 1 22 ARG QD 1 38 ILE HB . . 3.680 3.582 3.367 3.689 0.009 9 0 "[ . 1 . 2]" 1
2202 1 22 ARG QD 1 38 ILE MG . . 3.120 2.131 1.965 2.312 . 0 0 "[ . 1 . 2]" 1
2203 1 22 ARG QD 1 38 ILE QG . . 5.180 4.253 4.096 4.652 . 0 0 "[ . 1 . 2]" 1
2204 1 22 ARG QD 1 38 ILE MD . . 4.730 4.551 3.795 4.716 . 0 0 "[ . 1 . 2]" 1
2205 1 23 GLU HA 1 26 CYS QB . . 3.680 2.754 2.169 3.113 . 0 0 "[ . 1 . 2]" 1
2206 1 23 GLU QG 1 24 GLU H . . 5.040 4.353 4.040 4.692 . 0 0 "[ . 1 . 2]" 1
2207 1 23 GLU QG 1 111 THR MG . . 3.340 2.112 1.729 2.535 . 0 0 "[ . 1 . 2]" 1
2208 1 23 GLU QG 1 113 LEU MD2 . . 3.470 2.620 2.086 3.399 . 0 0 "[ . 1 . 2]" 1
2209 1 24 GLU H 1 24 GLU QG . . 3.490 2.173 1.935 2.953 . 0 0 "[ . 1 . 2]" 1
2210 1 24 GLU QG 1 25 LEU H . . 3.590 2.337 2.082 2.579 . 0 0 "[ . 1 . 2]" 1
2211 1 24 GLU QG 1 25 LEU HA . . 4.210 3.460 3.289 3.646 . 0 0 "[ . 1 . 2]" 1
2212 1 24 GLU QG 1 25 LEU HB3 . . 4.610 4.353 4.151 4.516 . 0 0 "[ . 1 . 2]" 1
2213 1 24 GLU QG 1 25 LEU HG . . 3.480 2.070 1.938 2.271 . 0 0 "[ . 1 . 2]" 1
2214 1 24 GLU QG 1 25 LEU MD1 . . 3.780 3.456 3.317 3.585 . 0 0 "[ . 1 . 2]" 1
2215 1 24 GLU QG 1 25 LEU MD2 . . 3.190 2.134 1.952 2.412 . 0 0 "[ . 1 . 2]" 1
2216 1 24 GLU QG 1 26 CYS H . . 5.340 4.281 4.094 4.488 . 0 0 "[ . 1 . 2]" 1
2217 1 25 LEU H 1 26 CYS QB . . 4.280 4.163 4.081 4.276 . 0 0 "[ . 1 . 2]" 1
2218 1 26 CYS H 1 26 CYS QB . . 3.100 2.303 2.247 2.376 . 0 0 "[ . 1 . 2]" 1
2219 1 26 CYS QB 1 27 THR H . . 3.450 2.839 2.420 3.215 . 0 0 "[ . 1 . 2]" 1
2220 1 26 CYS QB 1 27 THR MG . . 5.250 4.524 4.234 4.727 . 0 0 "[ . 1 . 2]" 1
2221 1 26 CYS QB 1 33 ILE MG . . 4.150 3.751 3.528 4.019 . 0 0 "[ . 1 . 2]" 1
2222 1 26 CYS QB 1 35 VAL HA . . 4.670 2.490 1.943 3.489 . 0 0 "[ . 1 . 2]" 1
2223 1 26 CYS QB 1 35 VAL MG1 . . 4.360 3.403 2.879 4.232 . 0 0 "[ . 1 . 2]" 1
2224 1 26 CYS QB 1 35 VAL MG2 . . 4.610 3.267 2.820 3.984 . 0 0 "[ . 1 . 2]" 1
2225 1 26 CYS QB 1 36 HIS H . . 3.990 2.909 2.317 3.988 . 0 0 "[ . 1 . 2]" 1
2226 1 26 CYS QB 1 111 THR MG . . 5.340 4.238 3.835 4.523 . 0 0 "[ . 1 . 2]" 1
2227 1 26 CYS QB 1 113 LEU MD1 . . 3.470 2.756 2.456 3.085 . 0 0 "[ . 1 . 2]" 1
2228 1 26 CYS QB 1 113 LEU MD2 . . 3.600 3.123 2.221 3.602 0.002 12 0 "[ . 1 . 2]" 1
2229 1 28 ALA MB 1 116 ASN QB . . 4.690 4.248 3.683 4.590 . 0 0 "[ . 1 . 2]" 1
2230 1 28 ALA MB 1 116 ASN QD . . 4.140 3.598 2.266 4.139 . 0 0 "[ . 1 . 2]" 1
2231 1 29 SER HA 1 116 ASN QB . . 4.720 3.375 2.731 4.123 . 0 0 "[ . 1 . 2]" 1
2232 1 29 SER QB 1 31 ASP H . . 4.470 3.423 3.183 3.815 . 0 0 "[ . 1 . 2]" 1
2233 1 29 SER QB 1 32 THR H . . 4.270 2.527 2.195 2.825 . 0 0 "[ . 1 . 2]" 1
2234 1 30 HIS HB2 1 31 ASP QB . . 4.650 3.837 3.413 4.302 . 0 0 "[ . 1 . 2]" 1
2235 1 30 HIS HB2 1 89 SER QB . . 4.100 3.276 2.500 4.107 0.007 15 0 "[ . 1 . 2]" 1
2236 1 30 HIS HB3 1 89 SER QB . . 4.490 3.792 2.843 4.454 . 0 0 "[ . 1 . 2]" 1
2237 1 30 HIS HB3 1 116 ASN QB . . 5.340 4.318 3.499 5.343 0.003 15 0 "[ . 1 . 2]" 1
2238 1 30 HIS HD2 1 31 ASP QB . . 3.700 2.903 2.431 3.612 . 0 0 "[ . 1 . 2]" 1
2239 1 31 ASP HA 1 87 LEU QB . . 3.960 2.351 2.142 2.626 . 0 0 "[ . 1 . 2]" 1
2240 1 31 ASP QB 1 32 THR H . . 4.320 3.900 3.595 4.052 . 0 0 "[ . 1 . 2]" 1
2241 1 31 ASP QB 1 86 GLY H . . 3.630 3.319 3.139 3.662 0.032 17 0 "[ . 1 . 2]" 1
2242 1 31 ASP QB 1 87 LEU H . . 3.450 2.445 1.931 3.455 0.005 17 0 "[ . 1 . 2]" 1
2243 1 33 ILE MG 1 113 LEU QB . . 4.330 3.048 2.825 3.324 . 0 0 "[ . 1 . 2]" 1
2244 1 33 ILE MD 1 93 TYR QB . . 3.840 2.443 2.173 2.743 . 0 0 "[ . 1 . 2]" 1
2245 1 33 ILE MD 1 113 LEU QB . . 3.670 2.931 2.603 3.100 . 0 0 "[ . 1 . 2]" 1
2246 1 37 TRP HD1 1 80 ASN QD . . 4.760 3.902 2.902 4.717 . 0 0 "[ . 1 . 2]" 1
2247 1 38 ILE H 1 38 ILE QG . . 4.060 4.068 4.034 4.118 0.058 5 0 "[ . 1 . 2]" 1
2248 1 38 ILE QG 1 39 SER H . . 3.530 2.292 1.918 2.510 . 0 0 "[ . 1 . 2]" 1
2249 1 38 ILE MD 1 80 ASN QD . . 4.250 3.730 2.985 4.257 0.007 5 0 "[ . 1 . 2]" 1
2250 1 39 SER H 1 39 SER QB . . 3.460 2.853 2.521 3.171 . 0 0 "[ . 1 . 2]" 1
2251 1 39 SER H 1 80 ASN QD . . 4.760 3.740 2.244 4.276 . 0 0 "[ . 1 . 2]" 1
2252 1 39 SER QB 1 40 ASP H . . 3.740 2.954 2.548 3.470 . 0 0 "[ . 1 . 2]" 1
2253 1 39 SER QB 1 41 ASP H . . 3.860 3.025 2.431 3.861 0.001 2 0 "[ . 1 . 2]" 1
2254 1 39 SER QB 1 42 GLU HA . . 4.670 4.113 3.605 4.531 . 0 0 "[ . 1 . 2]" 1
2255 1 39 SER QB 1 42 GLU QB . . 3.920 2.886 2.230 3.883 . 0 0 "[ . 1 . 2]" 1
2256 1 39 SER QB 1 45 ILE MD . . 3.580 3.366 2.885 3.593 0.013 11 0 "[ . 1 . 2]" 1
2257 1 39 SER QB 1 48 TYR QE . . 5.020 3.772 3.131 4.106 . 0 0 "[ . 1 . 2]" 1
2258 1 41 ASP QB 1 42 GLU HA . . 4.690 4.259 4.148 4.378 . 0 0 "[ . 1 . 2]" 1
2259 1 41 ASP QB 1 43 PHE H . . 4.540 3.652 2.854 4.483 . 0 0 "[ . 1 . 2]" 1
2260 1 41 ASP QB 1 44 SER H . . 4.760 3.939 3.415 4.631 . 0 0 "[ . 1 . 2]" 1
2261 1 41 ASP QB 1 44 SER QB . . 4.700 4.220 3.236 4.708 0.008 11 0 "[ . 1 . 2]" 1
2262 1 42 GLU H 1 42 GLU QB . . 3.280 2.843 2.565 3.081 . 0 0 "[ . 1 . 2]" 1
2263 1 42 GLU QB 1 45 ILE MD . . 4.170 2.904 2.282 3.255 . 0 0 "[ . 1 . 2]" 1
2264 1 42 GLU QG 1 43 PHE H . . 3.500 3.174 2.050 3.506 0.006 19 0 "[ . 1 . 2]" 1
2265 1 42 GLU QG 1 43 PHE QD . . 4.110 3.227 2.317 3.901 . 0 0 "[ . 1 . 2]" 1
2266 1 42 GLU QG 1 43 PHE QE . . 4.700 3.634 2.741 4.218 . 0 0 "[ . 1 . 2]" 1
2267 1 42 GLU QG 1 44 SER H . . 5.340 5.035 4.466 5.341 0.001 14 0 "[ . 1 . 2]" 1
2268 1 43 PHE H 1 43 PHE QB . . 3.080 2.437 2.180 2.748 . 0 0 "[ . 1 . 2]" 1
2269 1 44 SER H 1 44 SER QB . . 3.120 2.441 2.144 2.779 . 0 0 "[ . 1 . 2]" 1
2270 1 44 SER QB 1 45 ILE HG12 . . 4.850 4.379 4.096 4.682 . 0 0 "[ . 1 . 2]" 1
2271 1 44 SER QB 1 45 ILE HG13 . . 4.740 3.530 3.271 4.210 . 0 0 "[ . 1 . 2]" 1
2272 1 44 SER QB 1 101 ASN HD21 . . 4.110 3.287 2.508 3.659 . 0 0 "[ . 1 . 2]" 1
2273 1 48 TYR HA 1 49 GLU QB . . 4.390 3.913 3.861 4.026 . 0 0 "[ . 1 . 2]" 1
2274 1 49 GLU H 1 49 GLU QG . . 4.420 4.188 3.977 4.389 . 0 0 "[ . 1 . 2]" 1
2275 1 49 GLU H 1 100 ILE QG . . 5.340 4.767 4.015 5.343 0.003 13 0 "[ . 1 . 2]" 1
2276 1 49 GLU QB 1 51 GLN QE . . 4.550 3.674 2.969 4.549 . 0 0 "[ . 1 . 2]" 1
2277 1 49 GLU QB 1 77 ILE MD . . 5.340 4.251 3.914 4.789 . 0 0 "[ . 1 . 2]" 1
2278 1 49 GLU QB 1 98 LYS H . . 4.480 3.082 2.594 3.503 . 0 0 "[ . 1 . 2]" 1
2279 1 49 GLU QB 1 98 LYS QB . . 4.010 2.276 1.958 2.771 . 0 0 "[ . 1 . 2]" 1
2280 1 49 GLU QB 1 98 LYS QD . . 4.900 3.880 2.187 4.692 . 0 0 "[ . 1 . 2]" 1
2281 1 49 GLU QB 1 98 LYS QE . . 4.030 3.064 2.420 4.012 . 0 0 "[ . 1 . 2]" 1
2282 1 49 GLU QB 1 100 ILE QG . . 4.560 3.451 2.942 3.927 . 0 0 "[ . 1 . 2]" 1
2283 1 49 GLU QB 1 100 ILE MD . . 3.140 1.964 1.833 2.128 . 0 0 "[ . 1 . 2]" 1
2284 1 49 GLU QG 1 50 LEU H . . 3.690 2.734 2.031 3.623 . 0 0 "[ . 1 . 2]" 1
2285 1 49 GLU QG 1 73 ILE MG . . 2.800 1.918 1.727 2.706 . 0 0 "[ . 1 . 2]" 1
2286 1 50 LEU H 1 50 LEU QB . . 3.190 2.397 2.317 2.558 . 0 0 "[ . 1 . 2]" 1
2287 1 50 LEU QB 1 74 VAL H . . 3.960 3.119 2.855 3.515 . 0 0 "[ . 1 . 2]" 1
2288 1 50 LEU QB 1 74 VAL MG1 . . 4.270 3.702 3.308 3.870 . 0 0 "[ . 1 . 2]" 1
2289 1 50 LEU QB 1 74 VAL MG2 . . 3.850 3.452 3.086 3.666 . 0 0 "[ . 1 . 2]" 1
2290 1 50 LEU QB 1 77 ILE MD . . 2.890 1.942 1.824 2.102 . 0 0 "[ . 1 . 2]" 1
2291 1 51 GLN HA 1 73 ILE QG . . 4.260 3.271 3.019 4.216 . 0 0 "[ . 1 . 2]" 1
2292 1 51 GLN HB3 1 73 ILE QG . . 4.390 3.700 2.950 4.376 . 0 0 "[ . 1 . 2]" 1
2293 1 51 GLN QG 1 73 ILE QG . . 3.570 2.295 1.950 3.121 . 0 0 "[ . 1 . 2]" 1
2294 1 51 GLN QG 1 98 LYS QE . . 4.230 4.129 3.866 4.253 0.023 11 0 "[ . 1 . 2]" 1
2295 1 51 GLN QE 1 73 ILE MG . . 3.870 3.245 2.558 3.870 . 0 0 "[ . 1 . 2]" 1
2296 1 51 GLN QE 1 73 ILE QG . . 5.060 2.904 1.999 3.860 . 0 0 "[ . 1 . 2]" 1
2297 1 51 GLN QE 1 73 ILE MD . . 4.650 3.767 2.965 4.642 . 0 0 "[ . 1 . 2]" 1
2298 1 51 GLN QE 1 98 LYS QB . . 4.080 3.256 2.253 4.068 . 0 0 "[ . 1 . 2]" 1
2299 1 51 GLN QE 1 98 LYS QD . . 4.350 3.250 2.117 4.176 . 0 0 "[ . 1 . 2]" 1
2300 1 51 GLN QE 1 98 LYS QE . . 3.660 2.648 2.108 3.385 . 0 0 "[ . 1 . 2]" 1
2301 1 51 GLN QE 1 100 ILE MD . . 5.230 4.811 4.441 5.228 . 0 0 "[ . 1 . 2]" 1
2302 1 52 TYR H 1 72 MET QB . . 4.230 3.300 2.817 4.287 0.057 11 0 "[ . 1 . 2]" 1
2303 1 52 TYR QB 1 53 THR H . . 3.440 2.710 2.362 2.834 . 0 0 "[ . 1 . 2]" 1
2304 1 52 TYR QB 1 87 LEU MD2 . . 4.430 3.807 3.412 4.236 . 0 0 "[ . 1 . 2]" 1
2305 1 52 TYR QB 1 95 PHE HA . . 4.330 3.243 2.753 3.733 . 0 0 "[ . 1 . 2]" 1
2306 1 52 TYR QB 1 95 PHE QD . . 3.830 2.496 2.006 3.048 . 0 0 "[ . 1 . 2]" 1
2307 1 52 TYR QB 1 95 PHE HZ . . 5.180 3.723 3.505 4.050 . 0 0 "[ . 1 . 2]" 1
2308 1 52 TYR QD 1 72 MET QB . . 4.750 3.355 3.064 4.709 . 0 0 "[ . 1 . 2]" 1
2309 1 52 TYR QE 1 72 MET QB . . 4.060 2.708 2.309 3.985 . 0 0 "[ . 1 . 2]" 1
2310 1 52 TYR QE 1 72 MET QG . . 4.010 3.509 2.457 4.025 0.015 8 0 "[ . 1 . 2]" 1
2311 1 53 THR MG 1 64 LEU QD . . 3.220 2.456 1.993 2.917 . 0 0 "[ . 1 . 2]" 1
2312 1 55 PHE HA 1 64 LEU QD . . 4.370 3.314 2.556 4.149 . 0 0 "[ . 1 . 2]" 1
2313 1 55 PHE QD 1 92 ARG QG . . 4.730 3.910 3.228 4.398 . 0 0 "[ . 1 . 2]" 1
2314 1 55 PHE QD 1 112 ARG QD . . 4.040 3.718 3.112 4.046 0.006 15 0 "[ . 1 . 2]" 1
2315 1 55 PHE QE 1 112 ARG QG . . 5.340 5.120 4.380 5.353 0.013 13 0 "[ . 1 . 2]" 1
2316 1 55 PHE QE 1 112 ARG QD . . 4.290 3.877 3.111 4.297 0.007 20 0 "[ . 1 . 2]" 1
2317 1 55 PHE HZ 1 112 ARG QD . . 5.340 4.541 3.583 5.180 . 0 0 "[ . 1 . 2]" 1
2318 1 58 GLN QB 1 59 ALA MB . . 4.600 3.919 2.997 4.607 0.007 20 0 "[ . 1 . 2]" 1
2319 1 58 GLN QB 1 64 LEU QD . . 4.080 3.737 2.565 4.162 0.082 19 0 "[ . 1 . 2]" 1
2320 1 58 GLN QE 1 64 LEU QD . . 4.090 2.895 1.760 4.097 0.007 19 0 "[ . 1 . 2]" 1
2321 1 59 ALA MB 1 60 ASN QB . . 4.570 3.530 3.063 4.437 . 0 0 "[ . 1 . 2]" 1
2322 1 59 ALA MB 1 63 SER QB . . 4.130 3.147 1.840 4.126 . 0 0 "[ . 1 . 2]" 1
2323 1 60 ASN QB 1 63 SER QB . . 4.220 3.150 2.380 4.069 . 0 0 "[ . 1 . 2]" 1
2324 1 61 PHE HA 1 64 LEU QD . . 3.940 3.577 3.096 3.875 . 0 0 "[ . 1 . 2]" 1
2325 1 61 PHE HB2 1 64 LEU QD . . 5.440 4.990 4.469 5.437 . 0 0 "[ . 1 . 2]" 1
2326 1 61 PHE QD 1 64 LEU QD . . 4.300 3.128 2.145 3.701 . 0 0 "[ . 1 . 2]" 1
2327 1 61 PHE QE 1 64 LEU QD . . 4.040 3.391 2.311 4.068 0.028 19 0 "[ . 1 . 2]" 1
2328 1 62 ILE HA 1 65 TYR QB . . 3.700 2.565 2.332 2.829 . 0 0 "[ . 1 . 2]" 1
2329 1 62 ILE MG 1 66 ASN QB . . 4.080 3.217 2.578 3.980 . 0 0 "[ . 1 . 2]" 1
2330 1 63 SER H 1 63 SER QB . . 3.190 2.339 2.133 2.640 . 0 0 "[ . 1 . 2]" 1
2331 1 63 SER QB 1 64 LEU H . . 3.600 2.373 1.996 2.948 . 0 0 "[ . 1 . 2]" 1
2332 1 63 SER QB 1 64 LEU HB2 . . 5.080 4.118 3.849 4.518 . 0 0 "[ . 1 . 2]" 1
2333 1 63 SER QB 1 64 LEU HB3 . . 4.690 4.299 4.029 4.686 . 0 0 "[ . 1 . 2]" 1
2334 1 63 SER QB 1 66 ASN QB . . 5.120 4.457 4.091 4.747 . 0 0 "[ . 1 . 2]" 1
2335 1 64 LEU H 1 64 LEU QD . . 4.240 3.717 3.682 3.743 . 0 0 "[ . 1 . 2]" 1
2336 1 64 LEU HA 1 64 LEU QD . . 3.000 2.456 2.051 2.643 . 0 0 "[ . 1 . 2]" 1
2337 1 64 LEU HG 1 68 VAL QG . . 5.440 5.185 4.471 5.468 0.028 19 0 "[ . 1 . 2]" 1
2338 1 64 LEU QD 1 65 TYR H . . 4.570 3.331 2.980 3.654 . 0 0 "[ . 1 . 2]" 1
2339 1 64 LEU QD 1 65 TYR QD . . 5.440 4.340 3.869 4.683 . 0 0 "[ . 1 . 2]" 1
2340 1 64 LEU QD 1 67 SER QB . . 5.090 4.007 3.151 4.644 . 0 0 "[ . 1 . 2]" 1
2341 1 64 LEU QD 1 71 TRP HD1 . . 4.580 3.697 2.937 4.366 . 0 0 "[ . 1 . 2]" 1
2342 1 64 LEU QD 1 71 TRP HE1 . . 3.880 2.781 2.348 3.308 . 0 0 "[ . 1 . 2]" 1
2343 1 64 LEU QD 1 71 TRP HZ2 . . 3.820 2.896 2.332 3.530 . 0 0 "[ . 1 . 2]" 1
2344 1 64 LEU QD 1 71 TRP HH2 . . 5.440 4.455 3.977 4.968 . 0 0 "[ . 1 . 2]" 1
2345 1 65 TYR HA 1 68 VAL QG . . 4.180 3.405 2.381 4.132 . 0 0 "[ . 1 . 2]" 1
2346 1 65 TYR QB 1 66 ASN H . . 4.460 2.907 2.700 3.145 . 0 0 "[ . 1 . 2]" 1
2347 1 65 TYR QB 1 68 VAL QG . . 5.280 4.534 3.671 5.175 . 0 0 "[ . 1 . 2]" 1
2348 1 65 TYR QB 1 71 TRP HE1 . . 4.620 4.392 4.213 4.499 . 0 0 "[ . 1 . 2]" 1
2349 1 65 TYR QB 1 71 TRP HZ2 . . 4.590 3.595 3.068 4.037 . 0 0 "[ . 1 . 2]" 1
2350 1 65 TYR QD 1 68 VAL QG . . 3.550 3.112 2.390 3.568 0.018 13 0 "[ . 1 . 2]" 1
2351 1 65 TYR QE 1 68 VAL QG . . 4.650 3.056 2.340 3.594 . 0 0 "[ . 1 . 2]" 1
2352 1 65 TYR QE 1 107 ASN QD . . 5.290 4.229 3.162 5.273 . 0 0 "[ . 1 . 2]" 1
2353 1 66 ASN H 1 66 ASN QB . . 3.370 2.194 2.145 2.404 . 0 0 "[ . 1 . 2]" 1
2354 1 66 ASN H 1 66 ASN QD . . 5.340 3.951 2.398 4.284 . 0 0 "[ . 1 . 2]" 1
2355 1 66 ASN QB 1 66 ASN QD . . 3.000 2.241 2.063 2.666 . 0 0 "[ . 1 . 2]" 1
2356 1 67 SER QB 1 68 VAL QG . . 5.440 4.687 4.206 4.954 . 0 0 "[ . 1 . 2]" 1
2357 1 68 VAL H 1 68 VAL QG . . 3.200 2.441 1.895 3.183 . 0 0 "[ . 1 . 2]" 1
2358 1 68 VAL HA 1 68 VAL QG . . 2.930 2.181 1.976 2.375 . 0 0 "[ . 1 . 2]" 1
2359 1 68 VAL QG 1 69 ASP H . . 3.630 2.871 2.048 3.588 . 0 0 "[ . 1 . 2]" 1
2360 1 68 VAL QG 1 69 ASP HA . . 3.840 3.217 2.735 3.873 0.033 12 0 "[ . 1 . 2]" 1
2361 1 68 VAL QG 1 69 ASP QB . . 5.280 3.929 3.267 4.645 . 0 0 "[ . 1 . 2]" 1
2362 1 68 VAL QG 1 70 SER H . . 4.740 4.098 3.756 4.708 . 0 0 "[ . 1 . 2]" 1
2363 1 68 VAL QG 1 71 TRP QB . . 4.360 2.381 1.888 3.645 . 0 0 "[ . 1 . 2]" 1
2364 1 68 VAL QG 1 71 TRP HD1 . . 4.310 3.240 2.826 3.877 . 0 0 "[ . 1 . 2]" 1
2365 1 68 VAL QG 1 71 TRP HE3 . . 5.420 4.097 3.545 4.984 . 0 0 "[ . 1 . 2]" 1
2366 1 68 VAL QG 1 71 TRP HE1 . . 4.580 3.584 2.867 3.981 . 0 0 "[ . 1 . 2]" 1
2367 1 68 VAL QG 1 71 TRP HZ2 . . 4.880 4.506 3.769 4.883 0.003 11 0 "[ . 1 . 2]" 1
2368 1 69 ASP H 1 69 ASP QB . . 3.160 2.330 2.170 2.888 . 0 0 "[ . 1 . 2]" 1
2369 1 69 ASP QB 1 70 SER H . . 3.820 3.041 2.737 3.533 . 0 0 "[ . 1 . 2]" 1
2370 1 69 ASP QB 1 70 SER QB . . 5.180 4.281 3.757 5.090 . 0 0 "[ . 1 . 2]" 1
2371 1 70 SER QB 1 71 TRP H . . 3.780 2.701 2.524 2.881 . 0 0 "[ . 1 . 2]" 1
2372 1 70 SER QB 1 71 TRP HD1 . . 3.800 3.256 2.981 3.634 . 0 0 "[ . 1 . 2]" 1
2373 1 71 TRP HA 1 72 MET QB . . 4.830 4.204 4.026 4.308 . 0 0 "[ . 1 . 2]" 1
2374 1 71 TRP QB 1 73 ILE QG . . 4.280 3.709 3.527 3.910 . 0 0 "[ . 1 . 2]" 1
2375 1 71 TRP HE3 1 73 ILE QG . . 5.290 5.014 4.763 5.313 0.023 8 0 "[ . 1 . 2]" 1
2376 1 71 TRP HZ3 1 96 ILE QG . . 4.680 3.307 2.784 3.653 . 0 0 "[ . 1 . 2]" 1
2377 1 71 TRP HH2 1 96 ILE QG . . 4.480 3.813 3.294 4.285 . 0 0 "[ . 1 . 2]" 1
2378 1 72 MET H 1 72 MET QB . . 3.220 2.263 2.184 2.530 . 0 0 "[ . 1 . 2]" 1
2379 1 72 MET H 1 72 MET QG . . 3.880 3.364 2.291 3.925 0.045 19 0 "[ . 1 . 2]" 1
2380 1 72 MET HA 1 73 ILE QG . . 4.300 4.208 3.615 4.314 0.014 9 0 "[ . 1 . 2]" 1
2381 1 72 MET QB 1 73 ILE H . . 3.500 3.054 2.676 3.383 . 0 0 "[ . 1 . 2]" 1
2382 1 72 MET QG 1 73 ILE H . . 4.040 3.575 2.459 4.034 . 0 0 "[ . 1 . 2]" 1
2383 1 73 ILE H 1 73 ILE QG . . 3.630 3.360 2.495 3.612 . 0 0 "[ . 1 . 2]" 1
2384 1 73 ILE HA 1 73 ILE QG . . 3.590 2.444 2.291 3.150 . 0 0 "[ . 1 . 2]" 1
2385 1 73 ILE QG 1 73 ILE MG . . 3.030 2.030 1.946 2.110 . 0 0 "[ . 1 . 2]" 1
2386 1 73 ILE MG 1 75 PRO QD . . 3.440 2.413 2.035 2.775 . 0 0 "[ . 1 . 2]" 1
2387 1 73 ILE QG 1 74 VAL H . . 4.280 4.069 3.939 4.401 0.121 8 0 "[ . 1 . 2]" 1
2388 1 74 VAL H 1 75 PRO QD . . 4.700 3.518 3.409 3.640 . 0 0 "[ . 1 . 2]" 1
2389 1 74 VAL HA 1 75 PRO QD . . 2.840 1.884 1.868 1.904 . 0 0 "[ . 1 . 2]" 1
2390 1 74 VAL MG1 1 75 PRO QD . . 3.470 3.056 2.928 3.133 . 0 0 "[ . 1 . 2]" 1
2391 1 74 VAL MG2 1 75 PRO QD . . 3.850 3.622 3.504 3.689 . 0 0 "[ . 1 . 2]" 1
2392 1 75 PRO HB2 1 76 ASN QB . . 3.920 3.783 3.456 3.930 0.010 13 0 "[ . 1 . 2]" 1
2393 1 75 PRO HB2 1 76 ASN QD . . 4.820 3.366 1.981 4.824 0.004 15 0 "[ . 1 . 2]" 1
2394 1 75 PRO HB3 1 76 ASN QB . . 5.310 5.216 4.983 5.327 0.017 15 0 "[ . 1 . 2]" 1
2395 1 75 PRO HG2 1 76 ASN QD . . 4.110 2.964 2.072 4.034 . 0 0 "[ . 1 . 2]" 1
2396 1 76 ASN H 1 76 ASN QB . . 3.550 3.237 2.917 3.356 . 0 0 "[ . 1 . 2]" 1
2397 1 76 ASN QB 1 76 ASN QD . . 3.050 2.135 2.063 2.331 . 0 0 "[ . 1 . 2]" 1
2398 1 80 ASN HA 1 80 ASN QD . . 4.150 3.302 2.502 3.827 . 0 0 "[ . 1 . 2]" 1
2399 1 87 LEU H 1 87 LEU QB . . 3.500 2.499 2.415 2.640 . 0 0 "[ . 1 . 2]" 1
2400 1 87 LEU QB 1 87 LEU MD2 . . 3.240 2.189 2.130 2.246 . 0 0 "[ . 1 . 2]" 1
2401 1 87 LEU QB 1 88 GLN H . . 3.390 2.076 1.917 2.398 . 0 0 "[ . 1 . 2]" 1
2402 1 87 LEU QB 1 93 TYR QE . . 4.640 2.995 2.654 3.234 . 0 0 "[ . 1 . 2]" 1
2403 1 89 SER H 1 89 SER QB . . 3.230 2.645 2.452 2.794 . 0 0 "[ . 1 . 2]" 1
2404 1 89 SER QB 1 90 GLY H . . 3.410 2.809 2.587 3.058 . 0 0 "[ . 1 . 2]" 1
2405 1 89 SER QB 1 115 THR MG . . 5.340 5.080 4.537 5.347 0.007 7 0 "[ . 1 . 2]" 1
2406 1 89 SER QB 1 115 THR HG1 . . 4.120 3.959 3.793 4.123 0.003 1 0 "[ . 1 . 2]" 1
2407 1 89 SER QB 1 118 GLN QB . . 4.760 4.454 2.373 4.810 0.050 19 0 "[ . 1 . 2]" 1
2408 1 89 SER QB 1 118 GLN QG . . 3.980 3.530 2.227 3.981 0.001 13 0 "[ . 1 . 2]" 1
2409 1 90 GLY QA 1 91 THR HA . . 4.450 3.974 3.966 3.991 . 0 0 "[ . 1 . 2]" 1
2410 1 90 GLY QA 1 114 LYS QE . . 3.960 3.634 2.766 3.922 . 0 0 "[ . 1 . 2]" 1
2411 1 90 GLY QA 1 115 THR H . . 5.340 3.936 3.643 4.278 . 0 0 "[ . 1 . 2]" 1
2412 1 90 GLY QA 1 117 SER HA . . 4.730 3.071 2.419 4.306 . 0 0 "[ . 1 . 2]" 1
2413 1 91 THR H 1 114 LYS QB . . 5.340 4.723 4.270 5.024 . 0 0 "[ . 1 . 2]" 1
2414 1 92 ARG H 1 92 ARG QG . . 3.330 2.679 2.474 2.832 . 0 0 "[ . 1 . 2]" 1
2415 1 92 ARG QG 1 93 TYR H . . 4.300 3.769 3.498 3.950 . 0 0 "[ . 1 . 2]" 1
2416 1 92 ARG QG 1 114 LYS HG3 . . 4.480 2.606 2.073 3.225 . 0 0 "[ . 1 . 2]" 1
2417 1 92 ARG QG 1 114 LYS QE . . 4.690 2.929 2.115 3.632 . 0 0 "[ . 1 . 2]" 1
2418 1 92 ARG HD3 1 112 ARG QD . . 4.060 3.112 2.337 3.925 . 0 0 "[ . 1 . 2]" 1
2419 1 93 TYR H 1 93 TYR QB . . 3.560 2.645 2.521 2.775 . 0 0 "[ . 1 . 2]" 1
2420 1 93 TYR QB 1 94 ILE H . . 3.690 3.425 3.329 3.503 . 0 0 "[ . 1 . 2]" 1
2421 1 93 TYR QB 1 113 LEU H . . 4.690 3.981 3.573 4.310 . 0 0 "[ . 1 . 2]" 1
2422 1 94 ILE HA 1 112 ARG QG . . 4.560 3.857 3.327 4.522 . 0 0 "[ . 1 . 2]" 1
2423 1 94 ILE HG12 1 112 ARG QG . . 3.270 2.242 1.769 3.311 0.041 15 0 "[ . 1 . 2]" 1
2424 1 94 ILE HG12 1 112 ARG QD . . 3.860 2.982 1.989 3.757 . 0 0 "[ . 1 . 2]" 1
2425 1 94 ILE MD 1 112 ARG QD . . 3.730 2.742 2.177 3.468 . 0 0 "[ . 1 . 2]" 1
2426 1 95 PHE QE 1 113 LEU QB . . 4.070 2.455 2.220 2.865 . 0 0 "[ . 1 . 2]" 1
2427 1 96 ILE H 1 96 ILE QG . . 4.420 3.246 3.130 3.358 . 0 0 "[ . 1 . 2]" 1
2428 1 96 ILE HA 1 96 ILE QG . . 3.420 2.355 2.314 2.398 . 0 0 "[ . 1 . 2]" 1
2429 1 96 ILE MG 1 107 ASN QB . . 3.140 2.798 2.491 3.284 0.144 9 0 "[ . 1 . 2]" 1
2430 1 96 ILE MG 1 107 ASN QD . . 3.780 2.598 1.835 3.230 . 0 0 "[ . 1 . 2]" 1
2431 1 96 ILE QG 1 110 PRO HB2 . . 4.990 3.790 3.644 3.994 . 0 0 "[ . 1 . 2]" 1
2432 1 96 ILE QG 1 111 THR H . . 3.730 2.953 2.856 3.080 . 0 0 "[ . 1 . 2]" 1
2433 1 96 ILE MD 1 107 ASN QD . . 4.840 3.800 2.149 4.543 . 0 0 "[ . 1 . 2]" 1
2434 1 97 VAL H 1 108 SER QB . . 3.880 3.241 2.635 3.883 0.003 8 0 "[ . 1 . 2]" 1
2435 1 97 VAL HB 1 108 SER QB . . 4.160 3.364 2.993 3.672 . 0 0 "[ . 1 . 2]" 1
2436 1 97 VAL MG1 1 108 SER QB . . 4.110 3.991 3.756 4.111 0.001 12 0 "[ . 1 . 2]" 1
2437 1 98 LYS H 1 98 LYS QD . . 5.340 4.810 4.345 5.142 . 0 0 "[ . 1 . 2]" 1
2438 1 98 LYS HA 1 98 LYS QD . . 4.930 4.023 3.650 4.240 . 0 0 "[ . 1 . 2]" 1
2439 1 98 LYS QB 1 98 LYS QD . . 3.450 2.161 2.039 2.406 . 0 0 "[ . 1 . 2]" 1
2440 1 98 LYS QB 1 105 SER QB . . 5.340 4.320 4.048 5.099 . 0 0 "[ . 1 . 2]" 1
2441 1 98 LYS QE 1 98 LYS QG . . 3.280 2.301 2.046 2.487 . 0 0 "[ . 1 . 2]" 1
2442 1 98 LYS QG 1 100 ILE HA . . 4.820 4.228 3.969 4.399 . 0 0 "[ . 1 . 2]" 1
2443 1 98 LYS QG 1 100 ILE QG . . 3.980 2.586 2.242 2.813 . 0 0 "[ . 1 . 2]" 1
2444 1 98 LYS QG 1 100 ILE MD . . 3.770 2.908 1.982 3.690 . 0 0 "[ . 1 . 2]" 1
2445 1 98 LYS QG 1 105 SER HA . . 5.340 3.855 3.671 4.098 . 0 0 "[ . 1 . 2]" 1
2446 1 98 LYS QG 1 105 SER QB . . 3.520 2.447 2.123 3.312 . 0 0 "[ . 1 . 2]" 1
2447 1 98 LYS QG 1 106 ARG H . . 3.690 2.767 2.369 3.029 . 0 0 "[ . 1 . 2]" 1
2448 1 98 LYS QG 1 106 ARG HB3 . . 5.340 4.601 4.235 4.890 . 0 0 "[ . 1 . 2]" 1
2449 1 98 LYS QD 1 99 ALA H . . 5.340 4.928 4.502 5.206 . 0 0 "[ . 1 . 2]" 1
2450 1 98 LYS QD 1 105 SER QB . . 3.500 2.472 2.191 3.266 . 0 0 "[ . 1 . 2]" 1
2451 1 98 LYS QE 1 100 ILE QG . . 4.380 3.248 2.121 4.031 . 0 0 "[ . 1 . 2]" 1
2452 1 98 LYS QE 1 100 ILE MD . . 3.570 2.884 1.927 3.676 0.106 18 0 "[ . 1 . 2]" 1
2453 1 98 LYS QE 1 105 SER QB . . 3.850 3.226 2.546 3.781 . 0 0 "[ . 1 . 2]" 1
2454 1 100 ILE H 1 100 ILE QG . . 3.630 2.995 2.564 3.378 . 0 0 "[ . 1 . 2]" 1
2455 1 100 ILE HB 1 105 SER QB . . 5.340 4.526 4.224 4.765 . 0 0 "[ . 1 . 2]" 1
2456 1 100 ILE QG 1 100 ILE MG . . 3.230 2.107 1.971 2.226 . 0 0 "[ . 1 . 2]" 1
2457 1 100 ILE MG 1 105 SER QB . . 3.750 2.821 2.422 3.471 . 0 0 "[ . 1 . 2]" 1
2458 1 100 ILE QG 1 101 ASN H . . 4.460 4.088 3.953 4.285 . 0 0 "[ . 1 . 2]" 1
2459 1 100 ILE QG 1 105 SER QB . . 3.370 2.151 1.911 2.524 . 0 0 "[ . 1 . 2]" 1
2460 1 100 ILE MD 1 105 SER QB . . 4.020 3.553 3.225 3.952 . 0 0 "[ . 1 . 2]" 1
2461 1 101 ASN H 1 105 SER QB . . 4.420 4.081 3.784 4.473 0.053 19 0 "[ . 1 . 2]" 1
2462 1 102 GLN H 1 102 GLN QG . . 4.300 3.358 1.866 3.981 . 0 0 "[ . 1 . 2]" 1
2463 1 102 GLN HA 1 102 GLN QG . . 3.490 3.008 2.531 3.440 . 0 0 "[ . 1 . 2]" 1
2464 1 102 GLN QG 1 103 ALA H . . 4.060 3.038 2.049 3.678 . 0 0 "[ . 1 . 2]" 1
2465 1 102 GLN QG 1 103 ALA HA . . 4.270 3.528 3.108 4.282 0.012 12 0 "[ . 1 . 2]" 1
2466 1 102 GLN QG 1 103 ALA MB . . 4.210 3.709 3.009 4.172 . 0 0 "[ . 1 . 2]" 1
2467 1 105 SER H 1 105 SER QB . . 3.600 3.121 2.700 3.266 . 0 0 "[ . 1 . 2]" 1
2468 1 105 SER QB 1 106 ARG H . . 3.380 2.766 2.427 3.399 0.019 6 0 "[ . 1 . 2]" 1
2469 1 105 SER QB 1 106 ARG HA . . 5.130 4.261 4.050 4.429 . 0 0 "[ . 1 . 2]" 1
2470 1 106 ARG HA 1 106 ARG QD . . 3.260 2.222 1.939 2.590 . 0 0 "[ . 1 . 2]" 1
2471 1 106 ARG HB2 1 106 ARG QD . . 3.370 2.329 2.208 2.655 . 0 0 "[ . 1 . 2]" 1
2472 1 106 ARG QD 1 107 ASN H . . 3.810 3.328 2.442 3.811 0.001 7 0 "[ . 1 . 2]" 1
2473 1 107 ASN H 1 107 ASN QB . . 3.340 2.369 2.144 2.547 . 0 0 "[ . 1 . 2]" 1
2474 1 107 ASN QB 1 108 SER H . . 3.730 3.252 3.045 3.744 0.014 4 0 "[ . 1 . 2]" 1
2475 1 108 SER H 1 108 SER QB . . 3.550 2.393 2.249 2.632 . 0 0 "[ . 1 . 2]" 1
2476 1 108 SER QB 1 109 GLU H . . 3.700 2.696 2.134 3.094 . 0 0 "[ . 1 . 2]" 1
2477 1 109 GLU H 1 109 GLU QB . . 3.070 2.325 2.190 2.446 . 0 0 "[ . 1 . 2]" 1
2478 1 109 GLU QB 1 110 PRO QD . . 3.420 2.142 2.013 2.358 . 0 0 "[ . 1 . 2]" 1
2479 1 109 GLU QG 1 110 PRO QD . . 3.680 3.175 2.659 3.674 . 0 0 "[ . 1 . 2]" 1
2480 1 111 THR HA 1 112 ARG QG . . 4.670 4.142 3.385 4.621 . 0 0 "[ . 1 . 2]" 1
2481 1 112 ARG H 1 112 ARG QG . . 3.590 2.530 1.756 2.962 . 0 0 "[ . 1 . 2]" 1
2482 1 112 ARG H 1 112 ARG QD . . 4.700 4.253 3.746 4.662 . 0 0 "[ . 1 . 2]" 1
2483 1 112 ARG QG 1 113 LEU H . . 4.390 4.163 3.656 4.497 0.107 15 0 "[ . 1 . 2]" 1
2484 1 113 LEU QB 1 113 LEU MD1 . . 3.190 2.069 2.026 2.096 . 0 0 "[ . 1 . 2]" 1
2485 1 113 LEU QB 1 113 LEU MD2 . . 2.970 2.244 2.111 2.321 . 0 0 "[ . 1 . 2]" 1
2486 1 113 LEU QB 1 114 LYS H . . 2.900 2.567 2.169 2.897 . 0 0 "[ . 1 . 2]" 1
2487 1 114 LYS QB 1 115 THR H . . 3.430 3.030 2.767 3.287 . 0 0 "[ . 1 . 2]" 1
2488 1 115 THR HA 1 116 ASN QB . . 4.740 4.511 4.238 4.720 . 0 0 "[ . 1 . 2]" 1
2489 1 116 ASN H 1 116 ASN QB . . 3.370 2.445 2.219 2.889 . 0 0 "[ . 1 . 2]" 1
2490 1 116 ASN H 1 116 ASN QD . . 4.600 3.218 1.841 3.826 . 0 0 "[ . 1 . 2]" 1
2491 1 118 GLN H 1 118 GLN QB . . 3.650 2.503 2.162 2.635 . 0 0 "[ . 1 . 2]" 1
2492 1 118 GLN HA 1 118 GLN QE . . 4.860 4.104 2.829 4.703 . 0 0 "[ . 1 . 2]" 1
2493 1 118 GLN HA 1 119 PRO QG . . 4.390 4.008 3.859 4.100 . 0 0 "[ . 1 . 2]" 1
2494 1 118 GLN QB 1 119 PRO QG . . 4.730 3.871 3.446 4.704 . 0 0 "[ . 1 . 2]" 1
2495 1 118 GLN QB 1 119 PRO HD3 . . 4.500 3.665 3.347 4.241 . 0 0 "[ . 1 . 2]" 1
2496 1 119 PRO QG 1 120 PHE QB . . 5.130 4.577 3.113 5.136 0.006 10 0 "[ . 1 . 2]" 1
2497 1 120 PHE QB 1 121 LYS QB . . 5.280 4.929 4.495 5.302 0.022 9 0 "[ . 1 . 2]" 1
2498 1 123 GLY QA 1 124 PRO QG . . 4.570 3.695 3.641 3.864 . 0 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 2
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.036
_Distance_constraint_stats_list.Viol_max 0.002
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0018
_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 42 GLU 0.002 0.002 6 0 "[ . 1 . 2]"
1 43 PHE 0.002 0.002 6 0 "[ . 1 . 2]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 77 ILE HA 1 78 LYS H . . 2.200 2.162 2.142 2.195 . 0 0 "[ . 1 . 2]" 2
2 1 42 GLU H 1 43 PHE H . . 2.600 2.280 1.792 2.602 0.002 6 0 "[ . 1 . 2]" 2
stop_
save_
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