NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419694 |
2edd   |
11097 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2edd
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 2341
_Distance_constraint_stats_list.Viol_count 1764
_Distance_constraint_stats_list.Viol_total 820.626
_Distance_constraint_stats_list.Viol_max 0.387
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0233
_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 PHE 0.196 0.123 8 0 "[ . 1 . 2]"
1 9 PRO 0.196 0.123 8 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.332 0.332 14 0 "[ . 1 . 2]"
1 12 VAL 1.386 0.387 18 0 "[ . 1 . 2]"
1 13 PRO 1.195 0.387 18 0 "[ . 1 . 2]"
1 14 ASP 0.241 0.075 12 0 "[ . 1 . 2]"
1 15 LEU 0.820 0.231 15 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 THR 0.003 0.003 17 0 "[ . 1 . 2]"
1 18 PRO 0.791 0.071 14 0 "[ . 1 . 2]"
1 19 MET 1.673 0.071 14 0 "[ . 1 . 2]"
1 20 LEU 0.260 0.058 16 0 "[ . 1 . 2]"
1 21 PRO 0.514 0.126 19 0 "[ . 1 . 2]"
1 22 PRO 0.368 0.065 19 0 "[ . 1 . 2]"
1 23 VAL 0.164 0.032 12 0 "[ . 1 . 2]"
1 24 GLY 0.051 0.051 20 0 "[ . 1 . 2]"
1 25 VAL 0.510 0.053 8 0 "[ . 1 . 2]"
1 26 GLN 0.035 0.014 8 0 "[ . 1 . 2]"
1 27 ALA 0.864 0.066 20 0 "[ . 1 . 2]"
1 28 VAL 0.573 0.050 8 0 "[ . 1 . 2]"
1 29 ALA 0.213 0.042 18 0 "[ . 1 . 2]"
1 30 LEU 0.212 0.030 3 0 "[ . 1 . 2]"
1 31 THR 0.847 0.112 20 0 "[ . 1 . 2]"
1 32 HIS 1.283 0.112 20 0 "[ . 1 . 2]"
1 33 ASP 0.021 0.015 2 0 "[ . 1 . 2]"
1 34 ALA 0.330 0.035 20 0 "[ . 1 . 2]"
1 35 VAL 0.918 0.066 20 0 "[ . 1 . 2]"
1 36 ARG 0.408 0.071 6 0 "[ . 1 . 2]"
1 37 VAL 0.337 0.046 19 0 "[ . 1 . 2]"
1 38 SER 0.335 0.073 11 0 "[ . 1 . 2]"
1 39 TRP 0.579 0.073 11 0 "[ . 1 . 2]"
1 40 ALA 0.076 0.033 20 0 "[ . 1 . 2]"
1 41 ASP 0.088 0.033 20 0 "[ . 1 . 2]"
1 42 ASN 0.113 0.051 10 0 "[ . 1 . 2]"
1 43 SER 0.027 0.019 2 0 "[ . 1 . 2]"
1 44 VAL 0.790 0.254 15 0 "[ . 1 . 2]"
1 45 PRO 0.375 0.138 16 0 "[ . 1 . 2]"
1 46 LYS 0.378 0.138 16 0 "[ . 1 . 2]"
1 47 ASN 0.080 0.080 6 0 "[ . 1 . 2]"
1 48 GLN 0.021 0.011 6 0 "[ . 1 . 2]"
1 49 LYS 0.451 0.271 14 0 "[ . 1 . 2]"
1 50 THR 1.294 0.254 9 0 "[ . 1 . 2]"
1 52 GLU 0.284 0.029 20 0 "[ . 1 . 2]"
1 53 VAL 1.724 0.171 18 0 "[ . 1 . 2]"
1 54 ARG 1.619 0.171 18 0 "[ . 1 . 2]"
1 55 LEU 1.729 0.081 15 0 "[ . 1 . 2]"
1 56 TYR 0.954 0.081 15 0 "[ . 1 . 2]"
1 57 THR 0.293 0.050 12 0 "[ . 1 . 2]"
1 58 VAL 0.845 0.099 11 0 "[ . 1 . 2]"
1 59 ARG 1.505 0.131 19 0 "[ . 1 . 2]"
1 60 TRP 1.839 0.091 17 0 "[ . 1 . 2]"
1 61 ARG 2.858 0.179 15 0 "[ . 1 . 2]"
1 62 THR 2.820 0.161 3 0 "[ . 1 . 2]"
1 63 SER 1.187 0.111 17 0 "[ . 1 . 2]"
1 64 PHE 0.015 0.014 15 0 "[ . 1 . 2]"
1 65 SER 0.274 0.047 15 0 "[ . 1 . 2]"
1 66 ALA 0.018 0.018 8 0 "[ . 1 . 2]"
1 67 SER 0.018 0.018 8 0 "[ . 1 . 2]"
1 68 ALA 0.357 0.135 15 0 "[ . 1 . 2]"
1 69 LYS 0.041 0.037 7 0 "[ . 1 . 2]"
1 70 TYR 2.345 0.179 15 0 "[ . 1 . 2]"
1 71 LYS 1.156 0.140 11 0 "[ . 1 . 2]"
1 72 SER 0.723 0.140 11 0 "[ . 1 . 2]"
1 73 GLU 1.221 0.121 11 0 "[ . 1 . 2]"
1 74 ASP 1.147 0.099 11 0 "[ . 1 . 2]"
1 75 THR 0.570 0.036 20 0 "[ . 1 . 2]"
1 76 THR 0.182 0.063 11 0 "[ . 1 . 2]"
1 77 SER 0.234 0.063 11 0 "[ . 1 . 2]"
1 78 LEU 0.237 0.037 6 0 "[ . 1 . 2]"
1 79 SER 0.814 0.071 6 0 "[ . 1 . 2]"
1 80 TYR 1.326 0.106 20 0 "[ . 1 . 2]"
1 81 THR 0.135 0.027 13 0 "[ . 1 . 2]"
1 82 ALA 0.450 0.076 20 0 "[ . 1 . 2]"
1 83 THR 0.756 0.104 20 0 "[ . 1 . 2]"
1 84 GLY 0.024 0.011 20 0 "[ . 1 . 2]"
1 85 LEU 0.459 0.091 12 0 "[ . 1 . 2]"
1 86 LYS 0.526 0.091 12 0 "[ . 1 . 2]"
1 87 PRO 0.527 0.033 17 0 "[ . 1 . 2]"
1 88 ASN 0.345 0.055 19 0 "[ . 1 . 2]"
1 89 THR 0.571 0.044 20 0 "[ . 1 . 2]"
1 90 MET 0.557 0.063 20 0 "[ . 1 . 2]"
1 91 TYR 0.659 0.069 8 0 "[ . 1 . 2]"
1 92 GLU 2.058 0.308 7 0 "[ . 1 . 2]"
1 93 PHE 0.619 0.059 2 0 "[ . 1 . 2]"
1 94 SER 0.319 0.059 2 0 "[ . 1 . 2]"
1 95 VAL 0.467 0.037 2 0 "[ . 1 . 2]"
1 96 MET 0.605 0.054 2 0 "[ . 1 . 2]"
1 97 VAL 1.206 0.072 19 0 "[ . 1 . 2]"
1 98 THR 0.881 0.052 17 0 "[ . 1 . 2]"
1 99 LYS 0.451 0.040 13 0 "[ . 1 . 2]"
1 100 ASN 0.817 0.332 17 0 "[ . 1 . 2]"
1 101 ARG 1.148 0.332 17 0 "[ . 1 . 2]"
1 102 ARG 1.583 0.161 17 0 "[ . 1 . 2]"
1 103 SER 0.277 0.054 2 0 "[ . 1 . 2]"
1 104 SER 1.344 0.372 19 0 "[ . 1 . 2]"
1 105 THR 1.581 0.372 19 0 "[ . 1 . 2]"
1 106 TRP 0.991 0.065 19 0 "[ . 1 . 2]"
1 107 SER 0.506 0.053 8 0 "[ . 1 . 2]"
1 108 MET 1.760 0.124 11 0 "[ . 1 . 2]"
1 109 THR 1.690 0.254 20 0 "[ . 1 . 2]"
1 110 ALA 0.202 0.043 2 0 "[ . 1 . 2]"
1 111 HIS 0.345 0.040 8 0 "[ . 1 . 2]"
1 112 ALA 0.098 0.023 14 0 "[ . 1 . 2]"
1 113 THR 0.353 0.063 20 0 "[ . 1 . 2]"
1 114 THR 0.659 0.059 20 0 "[ . 1 . 2]"
1 115 TYR 0.061 0.011 2 0 "[ . 1 . 2]"
1 116 GLU 0.252 0.025 12 0 "[ . 1 . 2]"
1 117 ALA 0.151 0.025 12 0 "[ . 1 . 2]"
1 118 SER 0.005 0.005 19 0 "[ . 1 . 2]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 SER 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 26 GLN H 1 39 TRP HB3 . . 4.600 3.335 3.081 3.727 . 0 0 "[ . 1 . 2]" 1
2 1 26 GLN H 1 39 TRP HB2 . . 4.870 4.394 4.105 4.723 . 0 0 "[ . 1 . 2]" 1
3 1 89 THR H 1 90 MET H . . 4.550 4.278 4.193 4.366 . 0 0 "[ . 1 . 2]" 1
4 1 90 MET H 1 113 THR HA . . 4.650 4.000 3.805 4.176 . 0 0 "[ . 1 . 2]" 1
5 1 89 THR HA 1 90 MET H . . 2.850 2.168 2.147 2.213 . 0 0 "[ . 1 . 2]" 1
6 1 89 THR HB 1 90 MET H . . 4.380 3.969 3.724 4.167 . 0 0 "[ . 1 . 2]" 1
7 1 90 MET H 1 90 MET HG2 . . 4.560 4.416 4.271 4.524 . 0 0 "[ . 1 . 2]" 1
8 1 90 MET H 1 90 MET HG3 . . 4.820 4.713 4.622 4.797 . 0 0 "[ . 1 . 2]" 1
9 1 90 MET H 1 90 MET HB2 . . 3.470 2.946 2.816 3.113 . 0 0 "[ . 1 . 2]" 1
10 1 90 MET H 1 90 MET HB3 . . 3.400 2.497 2.439 2.583 . 0 0 "[ . 1 . 2]" 1
11 1 90 MET H 1 91 TYR H . . 4.620 4.539 4.498 4.568 . 0 0 "[ . 1 . 2]" 1
12 1 26 GLN H 1 110 ALA MB . . 4.580 4.033 3.680 4.360 . 0 0 "[ . 1 . 2]" 1
13 1 25 VAL MG1 1 26 GLN H . . 4.340 2.894 2.600 3.277 . 0 0 "[ . 1 . 2]" 1
14 1 25 VAL H 1 26 GLN H . . 4.520 4.409 4.187 4.526 0.006 18 0 "[ . 1 . 2]" 1
15 1 26 GLN H 1 39 TRP HA . . 3.980 2.842 2.418 3.182 . 0 0 "[ . 1 . 2]" 1
16 1 25 VAL HA 1 26 GLN H . . 2.960 2.155 2.140 2.237 . 0 0 "[ . 1 . 2]" 1
17 1 26 GLN H 1 108 MET ME . . 5.500 4.891 4.457 5.463 . 0 0 "[ . 1 . 2]" 1
18 1 26 GLN H 1 26 GLN HB2 . . 3.850 3.095 2.867 3.434 . 0 0 "[ . 1 . 2]" 1
19 1 98 THR H 1 99 LYS H . . 4.440 3.953 3.854 4.151 . 0 0 "[ . 1 . 2]" 1
20 1 99 LYS H 1 102 ARG H . . 3.920 3.781 3.149 3.937 0.017 14 0 "[ . 1 . 2]" 1
21 1 99 LYS H 1 103 SER HA . . 4.250 3.730 3.540 3.952 . 0 0 "[ . 1 . 2]" 1
22 1 98 THR HA 1 99 LYS H . . 2.990 2.206 2.142 2.227 . 0 0 "[ . 1 . 2]" 1
23 1 99 LYS H 1 99 LYS HB3 . . 4.050 2.787 2.529 2.961 . 0 0 "[ . 1 . 2]" 1
24 1 99 LYS H 1 102 ARG HG2 . . 4.610 4.109 3.012 4.390 . 0 0 "[ . 1 . 2]" 1
25 1 99 LYS H 1 102 ARG HG3 . . 4.610 3.538 3.158 3.953 . 0 0 "[ . 1 . 2]" 1
26 1 99 LYS H 1 99 LYS HB2 . . 4.050 2.964 2.759 3.353 . 0 0 "[ . 1 . 2]" 1
27 1 36 ARG H 1 37 VAL H . . 4.660 4.252 4.106 4.382 . 0 0 "[ . 1 . 2]" 1
28 1 31 THR H 1 36 ARG H . . 5.470 5.271 5.088 5.450 . 0 0 "[ . 1 . 2]" 1
29 1 28 VAL QG 1 36 ARG H . . 4.290 3.600 3.435 3.767 . 0 0 "[ . 1 . 2]" 1
30 1 30 LEU H 1 36 ARG H . . 3.580 2.931 2.794 3.147 . 0 0 "[ . 1 . 2]" 1
31 1 35 VAL H 1 36 ARG H . . 4.840 4.028 3.911 4.116 . 0 0 "[ . 1 . 2]" 1
32 1 35 VAL HA 1 36 ARG H . . 3.100 2.142 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
33 1 36 ARG H 1 36 ARG QD . . 4.690 4.460 4.318 4.559 . 0 0 "[ . 1 . 2]" 1
34 1 36 ARG H 1 36 ARG HB3 . . 3.600 2.351 2.284 2.406 . 0 0 "[ . 1 . 2]" 1
35 1 30 LEU HG 1 36 ARG H . . 3.610 2.048 1.898 2.214 . 0 0 "[ . 1 . 2]" 1
36 1 36 ARG H 1 36 ARG HB2 . . 3.770 2.905 2.802 3.065 . 0 0 "[ . 1 . 2]" 1
37 1 29 ALA MB 1 36 ARG H . . 5.130 4.760 4.633 4.911 . 0 0 "[ . 1 . 2]" 1
38 1 104 SER HG 1 105 THR H . . 3.820 2.342 1.881 2.793 . 0 0 "[ . 1 . 2]" 1
39 1 104 SER HA 1 105 THR H . . 3.160 2.717 2.532 3.532 0.372 19 0 "[ . 1 . 2]" 1
40 1 104 SER HB2 1 105 THR H . . 3.910 2.603 2.074 3.492 . 0 0 "[ . 1 . 2]" 1
41 1 104 SER HB3 1 105 THR H . . 3.910 3.562 3.344 3.675 . 0 0 "[ . 1 . 2]" 1
42 1 21 PRO HB3 1 105 THR H . . 4.410 3.934 3.340 4.391 . 0 0 "[ . 1 . 2]" 1
43 1 19 MET HB3 1 105 THR H . . 5.050 4.657 4.305 5.086 0.036 16 0 "[ . 1 . 2]" 1
44 1 19 MET HB2 1 105 THR H . . 4.790 4.062 3.424 4.851 0.061 16 0 "[ . 1 . 2]" 1
45 1 31 THR H 1 35 VAL MG2 . . 4.490 3.997 3.810 4.136 . 0 0 "[ . 1 . 2]" 1
46 1 30 LEU H 1 31 THR H . . 3.050 2.552 2.484 2.646 . 0 0 "[ . 1 . 2]" 1
47 1 31 THR H 1 34 ALA H . . 3.770 3.078 2.999 3.163 . 0 0 "[ . 1 . 2]" 1
48 1 30 LEU QB 1 31 THR H . . 3.210 2.251 2.180 2.294 . 0 0 "[ . 1 . 2]" 1
49 1 31 THR H 1 31 THR MG . . 3.460 2.598 2.567 2.645 . 0 0 "[ . 1 . 2]" 1
50 1 30 LEU MD1 1 31 THR H . . 4.090 3.930 3.825 4.058 . 0 0 "[ . 1 . 2]" 1
51 1 31 THR H 1 85 LEU MD1 . . 5.020 4.894 4.762 5.034 0.014 12 0 "[ . 1 . 2]" 1
52 1 78 LEU HB2 1 79 SER H . . 4.440 3.990 3.738 4.128 . 0 0 "[ . 1 . 2]" 1
53 1 78 LEU HB3 1 79 SER H . . 4.440 4.420 4.337 4.477 0.037 6 0 "[ . 1 . 2]" 1
54 1 78 LEU H 1 79 SER H . . 3.170 2.783 2.489 3.043 . 0 0 "[ . 1 . 2]" 1
55 1 77 SER HA 1 79 SER H . . 4.110 4.083 3.857 4.134 0.024 12 0 "[ . 1 . 2]" 1
56 1 77 SER QB 1 79 SER H . . 3.070 2.525 2.311 2.713 . 0 0 "[ . 1 . 2]" 1
57 1 78 LEU HA 1 79 SER H . . 3.390 2.986 2.872 3.151 . 0 0 "[ . 1 . 2]" 1
58 1 75 THR MG 1 79 SER H . . 4.250 3.705 3.271 4.261 0.011 11 0 "[ . 1 . 2]" 1
59 1 78 LEU HG 1 79 SER H . . 5.100 4.835 4.671 4.938 . 0 0 "[ . 1 . 2]" 1
60 1 20 LEU H 1 21 PRO HD2 . . 4.810 4.621 4.477 4.780 . 0 0 "[ . 1 . 2]" 1
61 1 23 VAL MG1 1 24 GLY H . . 4.090 3.607 3.504 3.959 . 0 0 "[ . 1 . 2]" 1
62 1 19 MET HA 1 20 LEU H . . 2.810 2.420 2.204 2.661 . 0 0 "[ . 1 . 2]" 1
63 1 19 MET QG 1 20 LEU H . . 4.420 4.087 3.820 4.365 . 0 0 "[ . 1 . 2]" 1
64 1 20 LEU H 1 20 LEU HB2 . . 3.200 2.846 2.486 3.213 0.013 16 0 "[ . 1 . 2]" 1
65 1 20 LEU H 1 20 LEU HB3 . . 3.200 2.974 2.794 3.205 0.005 19 0 "[ . 1 . 2]" 1
66 1 53 VAL HA 1 54 ARG H . . 2.680 2.281 2.144 2.507 . 0 0 "[ . 1 . 2]" 1
67 1 53 VAL HB 1 54 ARG H . . 4.280 3.991 3.778 4.272 . 0 0 "[ . 1 . 2]" 1
68 1 93 PHE HB2 1 110 ALA H . . 4.670 3.276 2.988 3.699 . 0 0 "[ . 1 . 2]" 1
69 1 109 THR H 1 110 ALA H . . 4.700 4.576 4.489 4.627 . 0 0 "[ . 1 . 2]" 1
70 1 109 THR HA 1 110 ALA H . . 3.070 2.223 2.151 2.341 . 0 0 "[ . 1 . 2]" 1
71 1 94 SER HA 1 110 ALA H . . 4.560 3.808 3.403 4.161 . 0 0 "[ . 1 . 2]" 1
72 1 83 THR HA 1 84 GLY H . . 3.360 2.307 2.220 2.360 . 0 0 "[ . 1 . 2]" 1
73 1 83 THR HB 1 84 GLY H . . 3.120 2.664 2.508 2.930 . 0 0 "[ . 1 . 2]" 1
74 1 33 ASP HB2 1 84 GLY H . . 4.590 3.111 2.313 4.076 . 0 0 "[ . 1 . 2]" 1
75 1 33 ASP HB3 1 84 GLY H . . 4.590 3.520 2.191 4.519 . 0 0 "[ . 1 . 2]" 1
76 1 84 GLY H 1 85 LEU HG . . 3.520 3.376 3.250 3.531 0.011 20 0 "[ . 1 . 2]" 1
77 1 39 TRP HE1 1 56 TYR QE . . 3.650 2.138 1.900 2.639 . 0 0 "[ . 1 . 2]" 1
78 1 39 TRP HE1 1 78 LEU HA . . 3.540 2.930 2.663 3.231 . 0 0 "[ . 1 . 2]" 1
79 1 39 TRP HE1 1 56 TYR HB2 . . 5.200 4.595 4.076 4.902 . 0 0 "[ . 1 . 2]" 1
80 1 39 TRP HE1 1 56 TYR HB3 . . 4.980 3.962 3.559 4.165 . 0 0 "[ . 1 . 2]" 1
81 1 22 PRO HB3 1 39 TRP HE1 . . 4.020 3.494 3.123 4.031 0.011 20 0 "[ . 1 . 2]" 1
82 1 39 TRP HE1 1 95 VAL MG1 . . 4.360 2.761 2.453 3.159 . 0 0 "[ . 1 . 2]" 1
83 1 88 ASN H 1 114 THR H . . 4.560 4.389 4.172 4.567 0.007 20 0 "[ . 1 . 2]" 1
84 1 88 ASN H 1 114 THR HG1 . . 3.620 2.611 2.027 3.201 . 0 0 "[ . 1 . 2]" 1
85 1 87 PRO HA 1 88 ASN H . . 3.200 2.260 2.180 2.330 . 0 0 "[ . 1 . 2]" 1
86 1 32 HIS HA 1 88 ASN H . . 4.620 3.860 3.558 4.110 . 0 0 "[ . 1 . 2]" 1
87 1 88 ASN H 1 114 THR HB . . 4.050 3.447 2.997 3.690 . 0 0 "[ . 1 . 2]" 1
88 1 88 ASN H 1 116 GLU HA . . 3.880 2.955 2.552 3.371 . 0 0 "[ . 1 . 2]" 1
89 1 88 ASN H 1 88 ASN HB3 . . 3.980 3.341 2.963 3.826 . 0 0 "[ . 1 . 2]" 1
90 1 80 TYR H 1 81 THR H . . 4.600 4.401 4.293 4.521 . 0 0 "[ . 1 . 2]" 1
91 1 96 MET H 1 106 TRP HE3 . . 4.330 3.821 3.115 4.321 . 0 0 "[ . 1 . 2]" 1
92 1 96 MET H 1 106 TRP HZ3 . . 4.130 3.583 2.968 3.958 . 0 0 "[ . 1 . 2]" 1
93 1 95 VAL HA 1 96 MET H . . 3.170 2.275 2.193 2.331 . 0 0 "[ . 1 . 2]" 1
94 1 96 MET H 1 96 MET HG3 . . 3.730 2.625 2.159 3.097 . 0 0 "[ . 1 . 2]" 1
95 1 95 VAL MG2 1 96 MET H . . 4.080 3.901 3.818 3.963 . 0 0 "[ . 1 . 2]" 1
96 1 80 TYR QD 1 81 THR H . . 3.760 3.238 3.023 3.417 . 0 0 "[ . 1 . 2]" 1
97 1 80 TYR HA 1 81 THR H . . 2.840 2.232 2.185 2.286 . 0 0 "[ . 1 . 2]" 1
98 1 81 THR H 1 81 THR HB . . 3.140 2.726 2.652 2.817 . 0 0 "[ . 1 . 2]" 1
99 1 80 TYR HB3 1 81 THR H . . 4.330 4.014 3.752 4.155 . 0 0 "[ . 1 . 2]" 1
100 1 81 THR H 1 81 THR MG . . 3.980 3.863 3.833 3.921 . 0 0 "[ . 1 . 2]" 1
101 1 117 ALA H 1 118 SER H . . 4.900 3.725 2.790 4.647 . 0 0 "[ . 1 . 2]" 1
102 1 88 ASN H 1 117 ALA H . . 4.470 3.575 3.236 3.953 . 0 0 "[ . 1 . 2]" 1
103 1 87 PRO HA 1 117 ALA H . . 4.650 4.031 3.855 4.460 . 0 0 "[ . 1 . 2]" 1
104 1 116 GLU HA 1 117 ALA H . . 2.920 2.149 2.139 2.175 . 0 0 "[ . 1 . 2]" 1
105 1 32 HIS HB2 1 117 ALA H . . 4.420 3.684 3.453 4.153 . 0 0 "[ . 1 . 2]" 1
106 1 87 PRO HB2 1 117 ALA H . . 3.670 2.096 1.898 2.309 . 0 0 "[ . 1 . 2]" 1
107 1 87 PRO HB3 1 117 ALA H . . 3.160 2.956 2.744 3.167 0.007 2 0 "[ . 1 . 2]" 1
108 1 26 GLN H 1 27 ALA H . . 4.650 4.428 4.309 4.548 . 0 0 "[ . 1 . 2]" 1
109 1 26 GLN HA 1 27 ALA H . . 2.770 2.204 2.142 2.358 . 0 0 "[ . 1 . 2]" 1
110 1 26 GLN HG3 1 27 ALA H . . 4.480 2.781 2.180 4.043 . 0 0 "[ . 1 . 2]" 1
111 1 26 GLN HB3 1 27 ALA H . . 4.340 4.096 3.715 4.301 . 0 0 "[ . 1 . 2]" 1
112 1 27 ALA H 1 28 VAL QG . . 4.200 4.038 3.843 4.169 . 0 0 "[ . 1 . 2]" 1
113 1 59 ARG H 1 94 SER H . . 3.690 3.220 2.834 3.623 . 0 0 "[ . 1 . 2]" 1
114 1 59 ARG H 1 106 TRP HZ3 . . 4.160 2.578 2.049 3.200 . 0 0 "[ . 1 . 2]" 1
115 1 59 ARG H 1 106 TRP HH2 . . 4.610 3.684 2.910 4.272 . 0 0 "[ . 1 . 2]" 1
116 1 59 ARG H 1 59 ARG HG2 . . 3.790 2.471 2.236 2.763 . 0 0 "[ . 1 . 2]" 1
117 1 59 ARG H 1 59 ARG HG3 . . 4.220 3.450 2.951 3.911 . 0 0 "[ . 1 . 2]" 1
118 1 14 ASP HA 1 15 LEU H . . 3.110 2.430 2.140 2.892 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU H 1 15 LEU QB . . 3.170 2.522 2.198 3.126 . 0 0 "[ . 1 . 2]" 1
120 1 14 ASP HB2 1 15 LEU H . . 4.850 4.039 2.594 4.650 . 0 0 "[ . 1 . 2]" 1
121 1 14 ASP HB3 1 15 LEU H . . 4.850 3.643 2.157 4.649 . 0 0 "[ . 1 . 2]" 1
122 1 52 GLU HA 1 53 VAL H . . 3.000 2.191 2.139 2.316 . 0 0 "[ . 1 . 2]" 1
123 1 52 GLU QG 1 53 VAL H . . 4.520 3.749 2.000 4.524 0.004 12 0 "[ . 1 . 2]" 1
124 1 53 VAL H 1 53 VAL HB . . 3.280 2.543 2.264 2.890 . 0 0 "[ . 1 . 2]" 1
125 1 55 LEU H 1 56 TYR H . . 4.630 4.394 4.242 4.546 . 0 0 "[ . 1 . 2]" 1
126 1 55 LEU H 1 98 THR H . . 4.000 2.722 2.319 3.020 . 0 0 "[ . 1 . 2]" 1
127 1 54 ARG HA 1 55 LEU H . . 3.020 2.370 2.144 2.653 . 0 0 "[ . 1 . 2]" 1
128 1 55 LEU H 1 55 LEU HB3 . . 3.500 2.587 2.346 2.803 . 0 0 "[ . 1 . 2]" 1
129 1 11 SER HA 1 12 VAL H . . 3.220 2.415 2.140 3.552 0.332 14 0 "[ . 1 . 2]" 1
130 1 12 VAL H 1 12 VAL HB . . 3.800 3.432 2.553 3.805 0.005 6 0 "[ . 1 . 2]" 1
131 1 55 LEU H 1 98 THR HB . . 4.440 3.795 3.397 4.198 . 0 0 "[ . 1 . 2]" 1
132 1 60 TRP H 1 71 LYS H . . 3.730 2.915 2.475 3.199 . 0 0 "[ . 1 . 2]" 1
133 1 59 ARG HA 1 71 LYS H . . 4.750 4.463 4.025 4.834 0.084 12 0 "[ . 1 . 2]" 1
134 1 70 TYR HB3 1 71 LYS H . . 3.900 3.440 3.033 3.807 . 0 0 "[ . 1 . 2]" 1
135 1 70 TYR HB2 1 71 LYS H . . 4.590 4.418 4.217 4.571 . 0 0 "[ . 1 . 2]" 1
136 1 59 ARG HB2 1 71 LYS H . . 4.830 4.109 3.746 4.435 . 0 0 "[ . 1 . 2]" 1
137 1 71 LYS H 1 71 LYS HB3 . . 3.900 2.842 2.600 3.419 . 0 0 "[ . 1 . 2]" 1
138 1 71 LYS H 1 71 LYS HB2 . . 3.660 2.411 2.173 2.775 . 0 0 "[ . 1 . 2]" 1
139 1 70 TYR HA 1 71 LYS H . . 3.050 2.163 2.137 2.223 . 0 0 "[ . 1 . 2]" 1
140 1 44 VAL H 1 45 PRO HD3 . . 4.970 4.314 3.587 4.963 . 0 0 "[ . 1 . 2]" 1
141 1 52 GLU H 1 52 GLU QG . . 4.190 3.264 2.308 4.152 . 0 0 "[ . 1 . 2]" 1
142 1 43 SER H 1 44 VAL H . . 3.570 2.881 2.486 3.418 . 0 0 "[ . 1 . 2]" 1
143 1 43 SER HA 1 44 VAL H . . 3.530 3.126 2.629 3.522 . 0 0 "[ . 1 . 2]" 1
144 1 42 ASN HB3 1 44 VAL H . . 4.850 4.806 4.715 4.868 0.018 15 0 "[ . 1 . 2]" 1
145 1 42 ASN H 1 42 ASN HB3 . . 3.810 3.411 2.791 3.682 . 0 0 "[ . 1 . 2]" 1
146 1 42 ASN H 1 42 ASN HB2 . . 3.640 2.445 2.209 2.778 . 0 0 "[ . 1 . 2]" 1
147 1 97 VAL HB 1 98 THR H . . 4.290 3.972 3.878 4.125 . 0 0 "[ . 1 . 2]" 1
148 1 98 THR H 1 98 THR HG1 . . 4.290 3.379 2.729 4.132 . 0 0 "[ . 1 . 2]" 1
149 1 56 TYR HA 1 98 THR H . . 4.130 3.966 3.695 4.164 0.034 13 0 "[ . 1 . 2]" 1
150 1 97 VAL HA 1 98 THR H . . 3.180 2.223 2.170 2.274 . 0 0 "[ . 1 . 2]" 1
151 1 98 THR H 1 98 THR HB . . 3.680 2.652 2.514 2.729 . 0 0 "[ . 1 . 2]" 1
152 1 55 LEU HB3 1 98 THR H . . 4.420 3.489 3.280 3.622 . 0 0 "[ . 1 . 2]" 1
153 1 41 ASP HA 1 42 ASN H . . 3.130 2.157 2.140 2.201 . 0 0 "[ . 1 . 2]" 1
154 1 61 ARG HE 1 70 TYR QE . . 4.160 3.297 1.963 4.339 0.179 15 0 "[ . 1 . 2]" 1
155 1 61 ARG HE 1 61 ARG HG3 . . 4.030 3.046 2.185 3.983 . 0 0 "[ . 1 . 2]" 1
156 1 61 ARG HE 1 61 ARG HG2 . . 4.030 3.245 2.642 4.000 . 0 0 "[ . 1 . 2]" 1
157 1 77 SER H 1 79 SER H . . 4.670 4.238 4.038 4.634 . 0 0 "[ . 1 . 2]" 1
158 1 79 SER H 1 80 TYR H . . 4.370 4.163 4.036 4.280 . 0 0 "[ . 1 . 2]" 1
159 1 37 VAL H 1 80 TYR H . . 3.800 3.155 2.961 3.308 . 0 0 "[ . 1 . 2]" 1
160 1 39 TRP HE3 1 80 TYR H . . 4.930 4.429 4.116 4.630 . 0 0 "[ . 1 . 2]" 1
161 1 39 TRP HZ3 1 80 TYR H . . 3.890 2.680 2.292 2.951 . 0 0 "[ . 1 . 2]" 1
162 1 79 SER HA 1 80 TYR H . . 3.150 2.171 2.138 2.230 . 0 0 "[ . 1 . 2]" 1
163 1 79 SER HB2 1 80 TYR H . . 3.460 3.199 2.916 3.473 0.013 11 0 "[ . 1 . 2]" 1
164 1 80 TYR H 1 80 TYR HB3 . . 3.950 2.670 2.577 2.771 . 0 0 "[ . 1 . 2]" 1
165 1 37 VAL HB 1 80 TYR H . . 4.190 3.189 2.980 3.355 . 0 0 "[ . 1 . 2]" 1
166 1 75 THR MG 1 80 TYR H . . 5.230 4.772 4.541 5.032 . 0 0 "[ . 1 . 2]" 1
167 1 58 VAL MG1 1 80 TYR H . . 5.140 4.787 4.507 5.034 . 0 0 "[ . 1 . 2]" 1
168 1 37 VAL MG1 1 80 TYR H . . 4.450 4.079 3.848 4.244 . 0 0 "[ . 1 . 2]" 1
169 1 58 VAL MG2 1 80 TYR H . . 4.860 4.353 3.972 4.723 . 0 0 "[ . 1 . 2]" 1
170 1 37 VAL MG2 1 80 TYR H . . 4.600 4.448 4.340 4.620 0.020 11 0 "[ . 1 . 2]" 1
171 1 93 PHE H 1 93 PHE QD . . 3.580 2.550 2.228 2.923 . 0 0 "[ . 1 . 2]" 1
172 1 93 PHE H 1 111 HIS HA . . 4.170 3.916 3.350 4.142 . 0 0 "[ . 1 . 2]" 1
173 1 93 PHE H 1 109 THR HB . . 5.500 5.108 4.632 5.476 . 0 0 "[ . 1 . 2]" 1
174 1 93 PHE H 1 93 PHE HB2 . . 3.790 2.565 2.504 2.691 . 0 0 "[ . 1 . 2]" 1
175 1 92 GLU HB2 1 93 PHE H . . 4.670 3.829 3.150 4.212 . 0 0 "[ . 1 . 2]" 1
176 1 92 GLU HB3 1 93 PHE H . . 4.670 4.138 2.911 4.448 . 0 0 "[ . 1 . 2]" 1
177 1 93 PHE H 1 110 ALA MB . . 4.490 3.841 3.527 4.116 . 0 0 "[ . 1 . 2]" 1
178 1 76 THR H 1 77 SER H . . 3.170 2.784 2.254 3.233 0.063 11 0 "[ . 1 . 2]" 1
179 1 77 SER H 1 78 LEU H . . 4.770 4.459 4.398 4.635 . 0 0 "[ . 1 . 2]" 1
180 1 77 SER H 1 77 SER QB . . 3.100 2.674 2.380 3.063 . 0 0 "[ . 1 . 2]" 1
181 1 75 THR MG 1 77 SER H . . 3.510 2.629 2.232 3.207 . 0 0 "[ . 1 . 2]" 1
182 1 76 THR MG 1 77 SER H . . 4.440 4.320 3.950 4.403 . 0 0 "[ . 1 . 2]" 1
183 1 28 VAL H 1 29 ALA H . . 4.640 4.535 4.503 4.558 . 0 0 "[ . 1 . 2]" 1
184 1 28 VAL H 1 36 ARG H . . 4.450 4.052 3.894 4.201 . 0 0 "[ . 1 . 2]" 1
185 1 27 ALA HA 1 28 VAL H . . 2.940 2.188 2.167 2.205 . 0 0 "[ . 1 . 2]" 1
186 1 28 VAL H 1 36 ARG HB3 . . 4.690 4.137 3.978 4.429 . 0 0 "[ . 1 . 2]" 1
187 1 28 VAL H 1 112 ALA MB . . 5.030 4.264 4.020 4.425 . 0 0 "[ . 1 . 2]" 1
188 1 28 VAL H 1 29 ALA MB . . 5.500 5.496 5.467 5.542 0.042 18 0 "[ . 1 . 2]" 1
189 1 27 ALA MB 1 28 VAL H . . 3.460 3.476 3.421 3.510 0.050 8 0 "[ . 1 . 2]" 1
190 1 28 VAL H 1 35 VAL MG1 . . 3.520 3.336 3.225 3.463 . 0 0 "[ . 1 . 2]" 1
191 1 68 ALA HA 1 69 LYS H . . 2.950 2.339 2.148 2.575 . 0 0 "[ . 1 . 2]" 1
192 1 69 LYS H 1 69 LYS HB3 . . 3.950 3.256 2.674 3.691 . 0 0 "[ . 1 . 2]" 1
193 1 68 ALA MB 1 69 LYS H . . 3.520 2.603 2.072 3.371 . 0 0 "[ . 1 . 2]" 1
194 1 45 PRO HA 1 46 LYS H . . 3.330 2.524 2.150 3.468 0.138 16 0 "[ . 1 . 2]" 1
195 1 46 LYS H 1 46 LYS QB . . 3.530 2.443 2.185 3.292 . 0 0 "[ . 1 . 2]" 1
196 1 46 LYS H 1 46 LYS HG2 . . 5.220 3.480 1.881 5.271 0.051 10 0 "[ . 1 . 2]" 1
197 1 46 LYS H 1 46 LYS HG3 . . 5.220 3.955 2.862 4.688 . 0 0 "[ . 1 . 2]" 1
198 1 63 SER H 1 89 THR MG . . 4.860 3.802 3.296 4.198 . 0 0 "[ . 1 . 2]" 1
199 1 69 LYS H 1 69 LYS HG2 . . 4.280 3.234 2.411 3.576 . 0 0 "[ . 1 . 2]" 1
200 1 35 VAL H 1 82 ALA H . . 3.800 2.869 2.530 3.077 . 0 0 "[ . 1 . 2]" 1
201 1 34 ALA H 1 35 VAL H . . 4.360 4.216 4.107 4.325 . 0 0 "[ . 1 . 2]" 1
202 1 34 ALA HA 1 35 VAL H . . 3.020 2.189 2.149 2.261 . 0 0 "[ . 1 . 2]" 1
203 1 35 VAL H 1 83 THR HA . . 4.390 4.014 3.848 4.188 . 0 0 "[ . 1 . 2]" 1
204 1 35 VAL H 1 81 THR HA . . 4.510 3.988 3.694 4.176 . 0 0 "[ . 1 . 2]" 1
205 1 35 VAL H 1 35 VAL HB . . 3.530 2.781 2.678 2.923 . 0 0 "[ . 1 . 2]" 1
206 1 35 VAL H 1 85 LEU MD1 . . 3.480 2.898 2.695 3.255 . 0 0 "[ . 1 . 2]" 1
207 1 73 GLU HA 1 74 ASP H . . 3.190 2.264 2.161 2.493 . 0 0 "[ . 1 . 2]" 1
208 1 74 ASP H 1 74 ASP QB . . 3.280 2.538 2.294 2.733 . 0 0 "[ . 1 . 2]" 1
209 1 63 SER H 1 63 SER HB3 . . 3.950 2.965 2.348 3.582 . 0 0 "[ . 1 . 2]" 1
210 1 62 THR MG 1 63 SER H . . 4.030 3.601 3.302 3.828 . 0 0 "[ . 1 . 2]" 1
211 1 19 MET H 1 19 MET QG . . 3.480 2.785 2.211 3.396 . 0 0 "[ . 1 . 2]" 1
212 1 18 PRO HG2 1 19 MET H . . 5.010 3.663 3.404 4.942 . 0 0 "[ . 1 . 2]" 1
213 1 19 MET H 1 19 MET HB3 . . 3.850 3.661 3.565 3.838 . 0 0 "[ . 1 . 2]" 1
214 1 19 MET H 1 19 MET HB2 . . 3.590 2.513 2.298 2.788 . 0 0 "[ . 1 . 2]" 1
215 1 90 MET HA 1 112 ALA H . . 4.600 4.402 4.257 4.523 . 0 0 "[ . 1 . 2]" 1
216 1 91 TYR H 1 112 ALA H . . 4.010 3.378 3.087 3.572 . 0 0 "[ . 1 . 2]" 1
217 1 93 PHE QD 1 112 ALA H . . 4.470 3.891 3.434 4.361 . 0 0 "[ . 1 . 2]" 1
218 1 93 PHE QE 1 112 ALA H . . 4.760 3.919 3.377 4.372 . 0 0 "[ . 1 . 2]" 1
219 1 111 HIS HB3 1 112 ALA H . . 3.920 3.036 2.611 3.366 . 0 0 "[ . 1 . 2]" 1
220 1 111 HIS HB2 1 112 ALA H . . 4.370 4.180 3.911 4.363 . 0 0 "[ . 1 . 2]" 1
221 1 90 MET HG2 1 112 ALA H . . 4.530 2.622 2.094 3.160 . 0 0 "[ . 1 . 2]" 1
222 1 106 TRP H 1 106 TRP HE1 . . 4.770 4.612 4.244 4.772 0.002 18 0 "[ . 1 . 2]" 1
223 1 106 TRP H 1 107 SER H . . 4.590 4.577 4.539 4.619 0.029 3 0 "[ . 1 . 2]" 1
224 1 105 THR HB 1 106 TRP H . . 3.970 3.834 3.727 4.002 0.032 3 0 "[ . 1 . 2]" 1
225 1 105 THR HA 1 106 TRP H . . 3.050 2.402 2.294 2.501 . 0 0 "[ . 1 . 2]" 1
226 1 106 TRP H 1 106 TRP HB3 . . 3.770 3.632 3.603 3.666 . 0 0 "[ . 1 . 2]" 1
227 1 106 TRP H 1 106 TRP HB2 . . 3.300 2.507 2.420 2.594 . 0 0 "[ . 1 . 2]" 1
228 1 105 THR MG 1 106 TRP H . . 3.520 3.248 3.004 3.406 . 0 0 "[ . 1 . 2]" 1
229 1 73 GLU H 1 74 ASP H . . 4.550 4.362 4.242 4.458 . 0 0 "[ . 1 . 2]" 1
230 1 60 TRP HE3 1 73 GLU H . . 5.480 5.093 4.609 5.498 0.018 15 0 "[ . 1 . 2]" 1
231 1 60 TRP HZ3 1 73 GLU H . . 3.850 3.420 2.849 3.861 0.011 15 0 "[ . 1 . 2]" 1
232 1 59 ARG HA 1 73 GLU H . . 4.340 4.020 3.673 4.240 . 0 0 "[ . 1 . 2]" 1
233 1 72 SER HA 1 73 GLU H . . 3.150 2.208 2.141 2.379 . 0 0 "[ . 1 . 2]" 1
234 1 57 THR HA 1 73 GLU H . . 4.570 4.246 3.840 4.549 . 0 0 "[ . 1 . 2]" 1
235 1 72 SER HB2 1 73 GLU H . . 4.200 3.308 2.502 4.109 . 0 0 "[ . 1 . 2]" 1
236 1 72 SER HB3 1 73 GLU H . . 4.200 3.940 2.963 4.208 0.008 9 0 "[ . 1 . 2]" 1
237 1 73 GLU H 1 73 GLU HG3 . . 5.220 4.712 3.592 5.087 . 0 0 "[ . 1 . 2]" 1
238 1 58 VAL HB 1 73 GLU H . . 3.750 3.606 3.424 3.770 0.020 11 0 "[ . 1 . 2]" 1
239 1 58 VAL MG2 1 73 GLU H . . 4.780 4.471 4.219 4.719 . 0 0 "[ . 1 . 2]" 1
240 1 14 ASP H 1 14 ASP HB2 . . 4.000 2.934 2.185 4.018 0.018 20 0 "[ . 1 . 2]" 1
241 1 101 ARG H 1 102 ARG H . . 3.510 2.740 2.600 2.943 . 0 0 "[ . 1 . 2]" 1
242 1 102 ARG H 1 103 SER H . . 4.620 4.348 4.231 4.405 . 0 0 "[ . 1 . 2]" 1
243 1 98 THR HA 1 102 ARG H . . 4.510 4.417 4.067 4.531 0.021 20 0 "[ . 1 . 2]" 1
244 1 101 ARG QB 1 102 ARG H . . 4.040 3.870 3.726 4.053 0.013 20 0 "[ . 1 . 2]" 1
245 1 102 ARG H 1 102 ARG QB . . 3.040 3.051 2.838 3.201 0.161 17 0 "[ . 1 . 2]" 1
246 1 102 ARG H 1 102 ARG HG2 . . 4.160 2.898 2.716 3.052 . 0 0 "[ . 1 . 2]" 1
247 1 98 THR MG 1 102 ARG H . . 3.440 2.746 2.243 2.931 . 0 0 "[ . 1 . 2]" 1
248 1 102 ARG H 1 102 ARG HG3 . . 4.160 3.307 2.904 3.790 . 0 0 "[ . 1 . 2]" 1
249 1 58 VAL H 1 73 GLU H . . 3.760 2.545 2.248 2.858 . 0 0 "[ . 1 . 2]" 1
250 1 30 LEU H 1 30 LEU HG . . 4.030 2.131 1.988 2.277 . 0 0 "[ . 1 . 2]" 1
251 1 30 LEU H 1 30 LEU MD2 . . 4.410 3.459 3.333 3.556 . 0 0 "[ . 1 . 2]" 1
252 1 13 PRO HA 1 14 ASP H . . 3.200 2.393 2.150 3.275 0.075 12 0 "[ . 1 . 2]" 1
253 1 14 ASP H 1 14 ASP HB3 . . 4.000 3.354 2.316 4.038 0.038 7 0 "[ . 1 . 2]" 1
254 1 30 LEU H 1 35 VAL MG1 . . 4.330 4.164 4.060 4.225 . 0 0 "[ . 1 . 2]" 1
255 1 85 LEU H 1 86 LYS H . . 4.650 4.451 4.412 4.503 . 0 0 "[ . 1 . 2]" 1
256 1 85 LEU HA 1 86 LYS H . . 3.320 2.588 2.419 2.654 . 0 0 "[ . 1 . 2]" 1
257 1 86 LYS H 1 86 LYS QB . . 3.350 2.331 2.245 2.375 . 0 0 "[ . 1 . 2]" 1
258 1 86 LYS H 1 86 LYS HG3 . . 4.630 4.504 4.336 4.636 0.006 16 0 "[ . 1 . 2]" 1
259 1 85 LEU HB2 1 86 LYS H . . 3.840 2.885 2.696 3.160 . 0 0 "[ . 1 . 2]" 1
260 1 85 LEU HB3 1 86 LYS H . . 3.840 2.277 2.153 2.588 . 0 0 "[ . 1 . 2]" 1
261 1 70 TYR H 1 71 LYS H . . 4.610 4.462 4.303 4.598 . 0 0 "[ . 1 . 2]" 1
262 1 86 LYS H 1 91 TYR QE . . 3.850 3.262 3.112 3.617 . 0 0 "[ . 1 . 2]" 1
263 1 86 LYS H 1 89 THR HB . . 4.600 3.954 3.768 4.220 . 0 0 "[ . 1 . 2]" 1
264 1 70 TYR H 1 70 TYR QD . . 3.680 2.925 2.655 3.147 . 0 0 "[ . 1 . 2]" 1
265 1 69 LYS HA 1 70 TYR H . . 3.170 2.231 2.141 2.386 . 0 0 "[ . 1 . 2]" 1
266 1 70 TYR H 1 70 TYR HB3 . . 3.960 3.473 3.431 3.519 . 0 0 "[ . 1 . 2]" 1
267 1 70 TYR H 1 70 TYR HB2 . . 3.660 2.203 2.132 2.328 . 0 0 "[ . 1 . 2]" 1
268 1 39 TRP HA 1 40 ALA H . . 3.230 2.596 2.494 2.656 . 0 0 "[ . 1 . 2]" 1
269 1 39 TRP HB3 1 40 ALA H . . 3.640 3.540 3.443 3.642 0.002 15 0 "[ . 1 . 2]" 1
270 1 39 TRP HB2 1 40 ALA H . . 3.490 2.061 1.936 2.247 . 0 0 "[ . 1 . 2]" 1
271 1 111 HIS H 1 111 HIS HB3 . . 3.800 3.594 3.511 3.780 . 0 0 "[ . 1 . 2]" 1
272 1 111 HIS H 1 111 HIS HB2 . . 3.530 2.352 2.230 2.662 . 0 0 "[ . 1 . 2]" 1
273 1 30 LEU H 1 34 ALA H . . 4.780 4.686 4.571 4.787 0.007 3 0 "[ . 1 . 2]" 1
274 1 33 ASP H 1 34 ALA H . . 2.990 2.869 2.745 3.005 0.015 2 0 "[ . 1 . 2]" 1
275 1 32 HIS HA 1 34 ALA H . . 4.170 4.182 4.148 4.205 0.035 20 0 "[ . 1 . 2]" 1
276 1 30 LEU QB 1 34 ALA H . . 4.580 4.507 4.436 4.586 0.006 17 0 "[ . 1 . 2]" 1
277 1 34 ALA H 1 85 LEU MD1 . . 4.500 2.856 2.635 3.139 . 0 0 "[ . 1 . 2]" 1
278 1 37 VAL H 1 38 SER H . . 4.840 4.303 4.228 4.373 . 0 0 "[ . 1 . 2]" 1
279 1 38 SER H 1 39 TRP HE3 . . 4.230 3.988 3.890 4.148 . 0 0 "[ . 1 . 2]" 1
280 1 37 VAL HA 1 38 SER H . . 2.950 2.155 2.143 2.168 . 0 0 "[ . 1 . 2]" 1
281 1 38 SER H 1 38 SER HB3 . . 4.180 2.975 2.375 3.792 . 0 0 "[ . 1 . 2]" 1
282 1 37 VAL HB 1 38 SER H . . 4.540 4.351 4.304 4.402 . 0 0 "[ . 1 . 2]" 1
283 1 26 GLN HB2 1 38 SER H . . 5.490 5.260 5.045 5.470 . 0 0 "[ . 1 . 2]" 1
284 1 28 VAL QG 1 38 SER H . . 4.180 3.435 3.086 4.003 . 0 0 "[ . 1 . 2]" 1
285 1 27 ALA MB 1 38 SER H . . 5.070 4.895 4.530 5.073 0.003 6 0 "[ . 1 . 2]" 1
286 1 28 VAL H 1 38 SER H . . 4.390 3.461 3.257 3.717 . 0 0 "[ . 1 . 2]" 1
287 1 38 SER H 1 39 TRP H . . 4.520 4.435 4.359 4.514 . 0 0 "[ . 1 . 2]" 1
288 1 38 SER H 1 39 TRP HZ3 . . 5.250 5.012 4.863 5.232 . 0 0 "[ . 1 . 2]" 1
289 1 26 GLN HB3 1 38 SER H . . 4.470 3.629 3.390 3.966 . 0 0 "[ . 1 . 2]" 1
290 1 22 PRO HB2 1 40 ALA H . . 4.690 3.946 3.522 4.239 . 0 0 "[ . 1 . 2]" 1
291 1 84 GLY H 1 85 LEU H . . 3.490 2.594 2.449 2.736 . 0 0 "[ . 1 . 2]" 1
292 1 34 ALA HA 1 85 LEU H . . 5.170 4.727 4.441 5.006 . 0 0 "[ . 1 . 2]" 1
293 1 83 THR HA 1 85 LEU H . . 4.030 3.920 3.755 4.030 . 0 0 "[ . 1 . 2]" 1
294 1 83 THR HB 1 85 LEU H . . 5.500 5.200 4.981 5.375 . 0 0 "[ . 1 . 2]" 1
295 1 97 VAL H 1 106 TRP HA . . 5.500 5.024 4.672 5.508 0.008 17 0 "[ . 1 . 2]" 1
296 1 33 ASP HB2 1 85 LEU H . . 3.900 2.768 1.897 3.879 . 0 0 "[ . 1 . 2]" 1
297 1 33 ASP HB3 1 85 LEU H . . 3.900 2.691 1.898 3.426 . 0 0 "[ . 1 . 2]" 1
298 1 85 LEU H 1 85 LEU MD2 . . 3.660 3.538 3.359 3.689 0.029 20 0 "[ . 1 . 2]" 1
299 1 34 ALA H 1 85 LEU H . . 5.100 4.695 4.424 4.951 . 0 0 "[ . 1 . 2]" 1
300 1 19 MET ME 1 97 VAL H . . 4.860 4.195 3.906 4.429 . 0 0 "[ . 1 . 2]" 1
301 1 85 LEU H 1 85 LEU HG . . 3.260 2.262 2.117 2.497 . 0 0 "[ . 1 . 2]" 1
302 1 96 MET HB2 1 97 VAL H . . 3.600 2.019 1.923 2.310 . 0 0 "[ . 1 . 2]" 1
303 1 96 MET H 1 97 VAL H . . 4.900 4.372 4.357 4.423 . 0 0 "[ . 1 . 2]" 1
304 1 97 VAL H 1 104 SER HG . . 3.790 2.999 2.473 3.449 . 0 0 "[ . 1 . 2]" 1
305 1 96 MET HA 1 97 VAL H . . 3.400 2.617 2.460 2.654 . 0 0 "[ . 1 . 2]" 1
306 1 22 PRO HD3 1 97 VAL H . . 4.450 4.083 3.827 4.304 . 0 0 "[ . 1 . 2]" 1
307 1 96 MET HG2 1 97 VAL H . . 4.740 4.455 4.204 4.716 . 0 0 "[ . 1 . 2]" 1
308 1 96 MET HB3 1 97 VAL H . . 3.790 3.502 3.367 3.679 . 0 0 "[ . 1 . 2]" 1
309 1 57 THR H 1 106 TRP HH2 . . 5.500 5.194 4.849 5.480 . 0 0 "[ . 1 . 2]" 1
310 1 56 TYR HB2 1 57 THR H . . 4.520 4.323 4.186 4.414 . 0 0 "[ . 1 . 2]" 1
311 1 57 THR H 1 96 MET HB3 . . 5.500 5.116 5.024 5.199 . 0 0 "[ . 1 . 2]" 1
312 1 57 THR H 1 58 VAL H . . 4.630 4.526 4.487 4.583 . 0 0 "[ . 1 . 2]" 1
313 1 57 THR H 1 96 MET H . . 3.720 2.831 2.601 2.955 . 0 0 "[ . 1 . 2]" 1
314 1 56 TYR HA 1 57 THR H . . 3.170 2.155 2.137 2.197 . 0 0 "[ . 1 . 2]" 1
315 1 57 THR H 1 97 VAL HA . . 3.970 3.584 3.247 3.912 . 0 0 "[ . 1 . 2]" 1
316 1 57 THR H 1 57 THR HB . . 3.680 2.675 2.547 2.792 . 0 0 "[ . 1 . 2]" 1
317 1 56 TYR HB3 1 57 THR H . . 3.910 3.305 3.056 3.520 . 0 0 "[ . 1 . 2]" 1
318 1 57 THR H 1 96 MET HG2 . . 4.590 3.914 3.343 4.602 0.012 13 0 "[ . 1 . 2]" 1
319 1 57 THR H 1 96 MET HG3 . . 3.840 2.712 2.429 2.961 . 0 0 "[ . 1 . 2]" 1
320 1 57 THR H 1 58 VAL MG2 . . 5.500 4.190 4.064 4.369 . 0 0 "[ . 1 . 2]" 1
321 1 24 GLY H 1 25 VAL H . . 3.490 2.939 2.799 3.371 . 0 0 "[ . 1 . 2]" 1
322 1 25 VAL H 1 25 VAL HB . . 3.090 2.655 2.538 2.839 . 0 0 "[ . 1 . 2]" 1
323 1 25 VAL H 1 110 ALA MB . . 5.280 4.865 4.447 5.090 . 0 0 "[ . 1 . 2]" 1
324 1 25 VAL H 1 25 VAL MG1 . . 3.850 3.762 3.712 3.785 . 0 0 "[ . 1 . 2]" 1
325 1 25 VAL H 1 25 VAL MG2 . . 3.850 2.026 1.838 2.391 . 0 0 "[ . 1 . 2]" 1
326 1 97 VAL H 1 104 SER H . . 3.930 3.437 3.251 3.590 . 0 0 "[ . 1 . 2]" 1
327 1 104 SER H 1 105 THR H . . 4.540 4.309 2.912 4.532 . 0 0 "[ . 1 . 2]" 1
328 1 104 SER H 1 104 SER HG . . 4.220 3.625 3.098 4.187 . 0 0 "[ . 1 . 2]" 1
329 1 103 SER HA 1 104 SER H . . 3.130 2.226 2.159 2.309 . 0 0 "[ . 1 . 2]" 1
330 1 98 THR HA 1 104 SER H . . 3.860 3.040 2.776 3.446 . 0 0 "[ . 1 . 2]" 1
331 1 19 MET HB3 1 104 SER H . . 4.870 4.707 4.264 4.888 0.018 10 0 "[ . 1 . 2]" 1
332 1 96 MET HB2 1 104 SER H . . 4.220 3.820 3.611 3.985 . 0 0 "[ . 1 . 2]" 1
333 1 103 SER H 1 104 SER H . . 4.580 4.527 4.458 4.583 0.003 13 0 "[ . 1 . 2]" 1
334 1 19 MET QG 1 104 SER H . . 4.440 4.228 3.874 4.497 0.057 11 0 "[ . 1 . 2]" 1
335 1 19 MET ME 1 104 SER H . . 4.120 3.691 3.500 3.925 . 0 0 "[ . 1 . 2]" 1
336 1 96 MET HB3 1 104 SER H . . 5.500 5.441 5.263 5.525 0.025 12 0 "[ . 1 . 2]" 1
337 1 112 ALA H 1 113 THR H . . 4.350 3.878 3.713 4.073 . 0 0 "[ . 1 . 2]" 1
338 1 113 THR H 1 113 THR HG1 . . 4.490 2.616 1.898 3.544 . 0 0 "[ . 1 . 2]" 1
339 1 113 THR H 1 113 THR HB . . 3.120 2.758 2.709 2.832 . 0 0 "[ . 1 . 2]" 1
340 1 113 THR H 1 113 THR MG . . 3.800 3.783 3.757 3.819 0.019 20 0 "[ . 1 . 2]" 1
341 1 40 ALA HA 1 41 ASP H . . 3.020 2.334 2.185 2.479 . 0 0 "[ . 1 . 2]" 1
342 1 41 ASP H 1 41 ASP HB3 . . 3.960 2.936 2.567 3.258 . 0 0 "[ . 1 . 2]" 1
343 1 94 SER HG 1 95 VAL H . . 3.820 3.185 1.957 3.825 0.005 3 0 "[ . 1 . 2]" 1
344 1 94 SER HA 1 95 VAL H . . 3.290 2.446 2.238 2.617 . 0 0 "[ . 1 . 2]" 1
345 1 94 SER HB2 1 95 VAL H . . 4.230 3.599 2.108 4.205 . 0 0 "[ . 1 . 2]" 1
346 1 94 SER HB3 1 95 VAL H . . 4.230 3.201 2.213 3.773 . 0 0 "[ . 1 . 2]" 1
347 1 39 TRP HD1 1 41 ASP H . . 5.010 4.723 4.226 4.995 . 0 0 "[ . 1 . 2]" 1
348 1 95 VAL H 1 96 MET H . . 5.410 4.397 4.284 4.512 . 0 0 "[ . 1 . 2]" 1
349 1 116 GLU H 1 117 ALA H . . 4.590 4.437 4.362 4.587 . 0 0 "[ . 1 . 2]" 1
350 1 115 TYR H 1 116 GLU H . . 4.640 4.611 4.567 4.638 . 0 0 "[ . 1 . 2]" 1
351 1 115 TYR HA 1 116 GLU H . . 2.910 2.246 2.163 2.322 . 0 0 "[ . 1 . 2]" 1
352 1 115 TYR HB3 1 116 GLU H . . 3.330 2.878 2.629 3.214 . 0 0 "[ . 1 . 2]" 1
353 1 17 THR H 1 17 THR MG . . 4.490 2.831 2.030 3.375 . 0 0 "[ . 1 . 2]" 1
354 1 17 THR H 1 17 THR HB . . 3.990 3.775 3.621 3.938 . 0 0 "[ . 1 . 2]" 1
355 1 63 SER HB2 1 64 PHE H . . 4.590 4.109 3.022 4.463 . 0 0 "[ . 1 . 2]" 1
356 1 63 SER HB3 1 64 PHE H . . 4.590 3.843 3.128 4.386 . 0 0 "[ . 1 . 2]" 1
357 1 115 TYR H 1 115 TYR QD . . 4.020 2.330 1.970 2.714 . 0 0 "[ . 1 . 2]" 1
358 1 32 HIS HA 1 115 TYR H . . 3.590 2.481 2.093 2.795 . 0 0 "[ . 1 . 2]" 1
359 1 114 THR HB 1 115 TYR H . . 3.600 2.552 2.243 2.808 . 0 0 "[ . 1 . 2]" 1
360 1 115 TYR H 1 115 TYR HB3 . . 3.780 3.598 3.586 3.614 . 0 0 "[ . 1 . 2]" 1
361 1 115 TYR H 1 115 TYR HB2 . . 3.570 2.541 2.422 2.653 . 0 0 "[ . 1 . 2]" 1
362 1 29 ALA MB 1 115 TYR H . . 3.750 3.631 3.447 3.760 0.010 2 0 "[ . 1 . 2]" 1
363 1 114 THR MG 1 115 TYR H . . 3.870 3.563 3.445 3.734 . 0 0 "[ . 1 . 2]" 1
364 1 98 THR HA 1 103 SER H . . 4.830 4.639 4.488 4.807 . 0 0 "[ . 1 . 2]" 1
365 1 102 ARG HA 1 103 SER H . . 2.800 2.275 2.199 2.349 . 0 0 "[ . 1 . 2]" 1
366 1 103 SER H 1 103 SER HB2 . . 3.940 3.404 2.247 3.718 . 0 0 "[ . 1 . 2]" 1
367 1 103 SER H 1 103 SER HB3 . . 3.940 3.058 2.532 3.704 . 0 0 "[ . 1 . 2]" 1
368 1 102 ARG QB 1 103 SER H . . 3.380 2.792 2.584 3.028 . 0 0 "[ . 1 . 2]" 1
369 1 46 LYS QB 1 47 ASN H . . 4.490 3.081 1.963 4.003 . 0 0 "[ . 1 . 2]" 1
370 1 47 ASN H 1 48 GLN H . . 4.740 3.590 2.660 4.411 . 0 0 "[ . 1 . 2]" 1
371 1 63 SER HA 1 92 GLU H . . 4.290 4.220 3.963 4.313 0.023 11 0 "[ . 1 . 2]" 1
372 1 39 TRP H 1 40 ALA H . . 4.660 4.403 4.361 4.457 . 0 0 "[ . 1 . 2]" 1
373 1 39 TRP H 1 78 LEU HB3 . . 4.840 3.203 2.915 3.418 . 0 0 "[ . 1 . 2]" 1
374 1 39 TRP H 1 80 TYR H . . 5.500 5.474 5.369 5.518 0.018 19 0 "[ . 1 . 2]" 1
375 1 39 TRP H 1 39 TRP HE3 . . 3.950 2.816 2.424 3.209 . 0 0 "[ . 1 . 2]" 1
376 1 39 TRP H 1 79 SER HA . . 3.760 3.697 3.605 3.777 0.017 11 0 "[ . 1 . 2]" 1
377 1 39 TRP H 1 39 TRP HB3 . . 3.400 3.269 3.150 3.394 . 0 0 "[ . 1 . 2]" 1
378 1 39 TRP H 1 78 LEU HB2 . . 4.840 4.368 4.036 4.808 . 0 0 "[ . 1 . 2]" 1
379 1 39 TRP H 1 78 LEU MD2 . . 5.070 4.414 4.127 4.742 . 0 0 "[ . 1 . 2]" 1
380 1 95 VAL H 1 107 SER H . . 3.870 2.862 2.530 3.424 . 0 0 "[ . 1 . 2]" 1
381 1 94 SER HG 1 107 SER H . . 4.730 3.821 2.535 4.751 0.021 12 0 "[ . 1 . 2]" 1
382 1 107 SER H 1 107 SER HG . . 5.190 3.628 2.633 4.407 . 0 0 "[ . 1 . 2]" 1
383 1 107 SER H 1 107 SER HB3 . . 3.910 2.564 2.351 2.820 . 0 0 "[ . 1 . 2]" 1
384 1 106 TRP HA 1 107 SER H . . 3.160 2.264 2.174 2.497 . 0 0 "[ . 1 . 2]" 1
385 1 107 SER H 1 107 SER HB2 . . 3.910 3.183 2.515 3.684 . 0 0 "[ . 1 . 2]" 1
386 1 22 PRO HD2 1 107 SER H . . 4.780 3.327 2.945 3.894 . 0 0 "[ . 1 . 2]" 1
387 1 106 TRP HB3 1 107 SER H . . 4.140 2.841 2.243 3.156 . 0 0 "[ . 1 . 2]" 1
388 1 106 TRP HB2 1 107 SER H . . 4.400 3.880 3.425 4.108 . 0 0 "[ . 1 . 2]" 1
389 1 21 PRO HB3 1 107 SER H . . 4.700 4.065 3.718 4.581 . 0 0 "[ . 1 . 2]" 1
390 1 21 PRO HB2 1 107 SER H . . 4.640 3.531 3.084 4.000 . 0 0 "[ . 1 . 2]" 1
391 1 96 MET HB3 1 107 SER H . . 4.640 4.001 3.612 4.268 . 0 0 "[ . 1 . 2]" 1
392 1 59 ARG H 1 60 TRP H . . 4.680 4.467 4.398 4.522 . 0 0 "[ . 1 . 2]" 1
393 1 114 THR H 1 115 TYR H . . 4.740 4.584 4.559 4.610 . 0 0 "[ . 1 . 2]" 1
394 1 114 THR H 1 114 THR HG1 . . 3.950 3.296 2.794 3.446 . 0 0 "[ . 1 . 2]" 1
395 1 90 MET HA 1 114 THR H . . 3.780 3.328 3.208 3.437 . 0 0 "[ . 1 . 2]" 1
396 1 88 ASN HA 1 114 THR H . . 4.370 4.165 3.846 4.387 0.017 20 0 "[ . 1 . 2]" 1
397 1 113 THR MG 1 114 THR H . . 3.150 2.190 1.918 2.518 . 0 0 "[ . 1 . 2]" 1
398 1 113 THR HA 1 114 THR H . . 3.060 2.262 2.183 2.319 . 0 0 "[ . 1 . 2]" 1
399 1 59 ARG HG3 1 60 TRP H . . 4.490 3.601 3.131 3.876 . 0 0 "[ . 1 . 2]" 1
400 1 77 SER HA 1 78 LEU H . . 3.110 2.446 2.303 2.570 . 0 0 "[ . 1 . 2]" 1
401 1 78 LEU H 1 78 LEU HG . . 3.350 2.591 2.439 2.870 . 0 0 "[ . 1 . 2]" 1
402 1 78 LEU H 1 78 LEU HB3 . . 3.880 3.638 3.594 3.669 . 0 0 "[ . 1 . 2]" 1
403 1 78 LEU H 1 78 LEU MD2 . . 3.930 3.773 3.661 3.930 0.000 10 0 "[ . 1 . 2]" 1
404 1 60 TRP H 1 60 TRP HE3 . . 4.030 3.202 2.912 3.451 . 0 0 "[ . 1 . 2]" 1
405 1 60 TRP H 1 70 TYR QD . . 3.920 3.682 2.895 3.933 0.013 20 0 "[ . 1 . 2]" 1
406 1 59 ARG HA 1 60 TRP H . . 3.160 2.289 2.205 2.445 . 0 0 "[ . 1 . 2]" 1
407 1 60 TRP H 1 72 SER HA . . 4.760 4.316 3.762 4.679 . 0 0 "[ . 1 . 2]" 1
408 1 60 TRP H 1 70 TYR HB3 . . 4.830 4.563 4.032 4.780 . 0 0 "[ . 1 . 2]" 1
409 1 59 ARG HB3 1 60 TRP H . . 4.550 4.063 3.877 4.247 . 0 0 "[ . 1 . 2]" 1
410 1 59 ARG HG2 1 60 TRP H . . 5.090 4.585 3.980 5.016 . 0 0 "[ . 1 . 2]" 1
411 1 60 TRP H 1 71 LYS HB2 . . 4.820 4.018 3.225 4.700 . 0 0 "[ . 1 . 2]" 1
412 1 107 SER HG 1 108 MET H . . 3.880 2.620 1.895 3.524 . 0 0 "[ . 1 . 2]" 1
413 1 107 SER HA 1 108 MET H . . 2.700 2.568 2.472 2.657 . 0 0 "[ . 1 . 2]" 1
414 1 20 LEU MD1 1 43 SER H . . 5.200 3.872 2.303 5.155 . 0 0 "[ . 1 . 2]" 1
415 1 41 ASP HA 1 43 SER H . . 4.300 3.684 3.253 4.234 . 0 0 "[ . 1 . 2]" 1
416 1 43 SER H 1 43 SER HB3 . . 4.160 2.844 2.338 3.740 . 0 0 "[ . 1 . 2]" 1
417 1 42 ASN HB2 1 43 SER H . . 4.720 3.489 2.543 4.286 . 0 0 "[ . 1 . 2]" 1
418 1 42 ASN HB3 1 43 SER H . . 4.670 3.577 2.282 4.413 . 0 0 "[ . 1 . 2]" 1
419 1 108 MET HA 1 109 THR H . . 2.750 2.207 2.142 2.329 . 0 0 "[ . 1 . 2]" 1
420 1 108 MET HB2 1 109 THR H . . 3.420 3.059 2.618 3.437 0.017 11 0 "[ . 1 . 2]" 1
421 1 117 ALA MB 1 118 SER H . . 3.970 2.580 2.169 3.712 . 0 0 "[ . 1 . 2]" 1
422 1 75 THR H 1 76 THR H . . 4.630 4.275 3.864 4.406 . 0 0 "[ . 1 . 2]" 1
423 1 75 THR HA 1 76 THR H . . 3.100 2.195 2.148 2.273 . 0 0 "[ . 1 . 2]" 1
424 1 75 THR MG 1 76 THR H . . 4.160 3.829 3.525 4.110 . 0 0 "[ . 1 . 2]" 1
425 1 36 ARG HA 1 37 VAL H . . 3.130 2.175 2.146 2.229 . 0 0 "[ . 1 . 2]" 1
426 1 36 ARG HB3 1 37 VAL H . . 4.620 4.484 4.432 4.538 . 0 0 "[ . 1 . 2]" 1
427 1 36 ARG HB2 1 37 VAL H . . 4.470 4.379 4.296 4.506 0.036 13 0 "[ . 1 . 2]" 1
428 1 30 LEU MD1 1 37 VAL H . . 5.210 4.885 4.688 5.058 . 0 0 "[ . 1 . 2]" 1
429 1 37 VAL H 1 81 THR MG . . 5.170 4.814 4.613 5.045 . 0 0 "[ . 1 . 2]" 1
430 1 58 VAL H 1 75 THR H . . 5.280 4.871 4.647 5.205 . 0 0 "[ . 1 . 2]" 1
431 1 74 ASP H 1 75 THR H . . 4.880 4.445 4.328 4.582 . 0 0 "[ . 1 . 2]" 1
432 1 74 ASP HA 1 75 THR H . . 3.090 2.159 2.138 2.241 . 0 0 "[ . 1 . 2]" 1
433 1 75 THR H 1 75 THR HB . . 4.010 3.275 3.098 3.514 . 0 0 "[ . 1 . 2]" 1
434 1 56 TYR HB2 1 75 THR H . . 4.660 4.159 3.813 4.518 . 0 0 "[ . 1 . 2]" 1
435 1 74 ASP QB 1 75 THR H . . 3.380 3.242 2.839 3.402 0.022 6 0 "[ . 1 . 2]" 1
436 1 57 THR MG 1 75 THR H . . 5.500 4.834 4.370 5.112 . 0 0 "[ . 1 . 2]" 1
437 1 62 THR H 1 70 TYR HA . . 5.500 5.368 4.911 5.661 0.161 3 0 "[ . 1 . 2]" 1
438 1 62 THR H 1 62 THR HG1 . . 4.550 2.542 1.866 3.541 . 0 0 "[ . 1 . 2]" 1
439 1 61 ARG HD2 1 62 THR H . . 4.880 3.265 2.085 4.894 0.014 10 0 "[ . 1 . 2]" 1
440 1 87 PRO HA 1 89 THR H . . 4.000 3.474 3.311 3.643 . 0 0 "[ . 1 . 2]" 1
441 1 86 LYS QB 1 89 THR H . . 4.790 4.473 4.219 4.792 0.002 16 0 "[ . 1 . 2]" 1
442 1 89 THR H 1 114 THR H . . 3.430 3.022 2.816 3.171 . 0 0 "[ . 1 . 2]" 1
443 1 88 ASN H 1 89 THR H . . 3.620 2.788 2.630 2.887 . 0 0 "[ . 1 . 2]" 1
444 1 89 THR H 1 114 THR HG1 . . 3.280 2.249 1.896 2.550 . 0 0 "[ . 1 . 2]" 1
445 1 88 ASN HA 1 89 THR H . . 3.190 2.887 2.797 2.977 . 0 0 "[ . 1 . 2]" 1
446 1 89 THR H 1 89 THR HB . . 3.490 2.952 2.832 3.061 . 0 0 "[ . 1 . 2]" 1
447 1 88 ASN HB3 1 89 THR H . . 4.730 4.406 4.035 4.660 . 0 0 "[ . 1 . 2]" 1
448 1 89 THR H 1 89 THR MG . . 4.000 3.970 3.931 4.003 0.003 16 0 "[ . 1 . 2]" 1
449 1 89 THR H 1 89 THR HG1 . . 4.060 3.201 2.500 3.948 . 0 0 "[ . 1 . 2]" 1
450 1 34 ALA MB 1 82 ALA H . . 5.340 4.983 4.705 5.235 . 0 0 "[ . 1 . 2]" 1
451 1 37 VAL H 1 82 ALA H . . 4.370 3.825 3.531 4.174 . 0 0 "[ . 1 . 2]" 1
452 1 81 THR H 1 82 ALA H . . 4.550 4.219 4.002 4.447 . 0 0 "[ . 1 . 2]" 1
453 1 80 TYR QD 1 82 ALA H . . 4.550 3.350 3.021 3.698 . 0 0 "[ . 1 . 2]" 1
454 1 81 THR HA 1 82 ALA H . . 2.960 2.163 2.141 2.205 . 0 0 "[ . 1 . 2]" 1
455 1 82 ALA H 1 83 THR MG . . 4.660 4.292 4.122 4.461 . 0 0 "[ . 1 . 2]" 1
456 1 60 TRP H 1 61 ARG H . . 4.760 4.214 4.107 4.369 . 0 0 "[ . 1 . 2]" 1
457 1 61 ARG H 1 92 GLU H . . 3.800 2.840 2.428 3.164 . 0 0 "[ . 1 . 2]" 1
458 1 61 ARG H 1 93 PHE QD . . 5.500 5.478 5.243 5.525 0.025 4 0 "[ . 1 . 2]" 1
459 1 61 ARG H 1 70 TYR QD . . 4.950 4.396 4.085 4.760 . 0 0 "[ . 1 . 2]" 1
460 1 61 ARG H 1 70 TYR QE . . 4.570 3.902 3.201 4.585 0.015 3 0 "[ . 1 . 2]" 1
461 1 60 TRP HA 1 61 ARG H . . 3.150 2.204 2.149 2.337 . 0 0 "[ . 1 . 2]" 1
462 1 60 TRP HB2 1 61 ARG H . . 3.850 3.059 2.610 3.335 . 0 0 "[ . 1 . 2]" 1
463 1 61 ARG H 1 91 TYR HB3 . . 4.900 3.332 2.479 3.805 . 0 0 "[ . 1 . 2]" 1
464 1 61 ARG H 1 61 ARG HG3 . . 4.930 4.205 2.314 5.009 0.079 8 0 "[ . 1 . 2]" 1
465 1 61 ARG H 1 61 ARG HG2 . . 4.930 4.419 3.303 5.078 0.148 6 0 "[ . 1 . 2]" 1
466 1 64 PHE H 1 65 SER H . . 3.780 2.709 2.536 2.985 . 0 0 "[ . 1 . 2]" 1
467 1 63 SER HA 1 65 SER H . . 4.290 3.861 3.390 4.243 . 0 0 "[ . 1 . 2]" 1
468 1 65 SER H 1 65 SER HB2 . . 3.750 2.744 2.405 3.686 . 0 0 "[ . 1 . 2]" 1
469 1 64 PHE HB2 1 65 SER H . . 4.790 4.242 4.025 4.356 . 0 0 "[ . 1 . 2]" 1
470 1 64 PHE HB3 1 65 SER H . . 4.790 4.481 4.420 4.551 . 0 0 "[ . 1 . 2]" 1
471 1 65 SER H 1 68 ALA MB . . 4.980 4.607 3.478 4.978 . 0 0 "[ . 1 . 2]" 1
472 1 62 THR MG 1 65 SER H . . 5.500 5.494 5.390 5.547 0.047 15 0 "[ . 1 . 2]" 1
473 1 34 ALA HA 1 82 ALA H . . 4.830 4.615 4.262 4.835 0.005 11 0 "[ . 1 . 2]" 1
474 1 35 VAL MG1 1 82 ALA H . . 4.590 3.569 3.353 3.690 . 0 0 "[ . 1 . 2]" 1
475 1 35 VAL HB 1 82 ALA H . . 4.430 3.586 3.197 3.793 . 0 0 "[ . 1 . 2]" 1
476 1 23 VAL MG1 1 42 ASN HD21 . . 4.900 3.611 2.382 4.878 . 0 0 "[ . 1 . 2]" 1
477 1 42 ASN HB2 1 42 ASN HD22 . . 4.040 3.608 3.448 4.091 0.051 10 0 "[ . 1 . 2]" 1
478 1 23 VAL MG1 1 42 ASN HD22 . . 4.900 4.395 3.393 4.900 0.000 7 0 "[ . 1 . 2]" 1
479 1 23 VAL MG2 1 42 ASN HD22 . . 4.900 2.943 2.060 3.776 . 0 0 "[ . 1 . 2]" 1
480 1 72 SER H 1 73 GLU H . . 4.510 4.223 4.029 4.358 . 0 0 "[ . 1 . 2]" 1
481 1 71 LYS H 1 72 SER H . . 4.680 4.578 4.515 4.624 . 0 0 "[ . 1 . 2]" 1
482 1 71 LYS HA 1 72 SER H . . 2.880 2.377 2.239 2.525 . 0 0 "[ . 1 . 2]" 1
483 1 71 LYS HG3 1 72 SER H . . 3.940 2.800 2.128 4.031 0.091 13 0 "[ . 1 . 2]" 1
484 1 71 LYS HB3 1 72 SER H . . 3.430 3.289 2.289 3.570 0.140 11 0 "[ . 1 . 2]" 1
485 1 23 VAL H 1 39 TRP HB3 . . 5.500 5.277 5.069 5.502 0.002 20 0 "[ . 1 . 2]" 1
486 1 23 VAL H 1 39 TRP HB2 . . 4.720 3.642 3.475 3.914 . 0 0 "[ . 1 . 2]" 1
487 1 26 GLN HE21 1 28 VAL QG . . 4.630 2.927 2.076 3.784 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLN HE22 1 28 VAL QG . . 4.630 3.607 2.340 4.628 . 0 0 "[ . 1 . 2]" 1
489 1 23 VAL H 1 40 ALA H . . 3.960 3.367 3.011 3.624 . 0 0 "[ . 1 . 2]" 1
490 1 23 VAL H 1 39 TRP HD1 . . 4.860 3.699 3.361 4.593 . 0 0 "[ . 1 . 2]" 1
491 1 23 VAL H 1 41 ASP HA . . 4.220 3.765 3.273 4.250 0.030 20 0 "[ . 1 . 2]" 1
492 1 22 PRO HB2 1 23 VAL H . . 3.850 2.341 2.077 2.573 . 0 0 "[ . 1 . 2]" 1
493 1 22 PRO HB3 1 23 VAL H . . 3.970 3.324 3.211 3.433 . 0 0 "[ . 1 . 2]" 1
494 1 29 ALA H 1 30 LEU H . . 5.180 4.319 4.269 4.367 . 0 0 "[ . 1 . 2]" 1
495 1 28 VAL HA 1 29 ALA H . . 2.730 2.182 2.158 2.212 . 0 0 "[ . 1 . 2]" 1
496 1 28 VAL HB 1 29 ALA H . . 4.000 3.990 3.942 4.024 0.024 19 0 "[ . 1 . 2]" 1
497 1 29 ALA H 1 30 LEU MD2 . . 5.130 4.988 4.809 5.132 0.002 20 0 "[ . 1 . 2]" 1
498 1 29 ALA H 1 35 VAL MG2 . . 4.430 4.376 4.298 4.435 0.005 3 0 "[ . 1 . 2]" 1
499 1 29 ALA H 1 35 VAL MG1 . . 4.690 4.413 4.311 4.547 . 0 0 "[ . 1 . 2]" 1
500 1 82 ALA H 1 83 THR H . . 4.430 4.228 4.089 4.326 . 0 0 "[ . 1 . 2]" 1
501 1 80 TYR QD 1 83 THR H . . 5.500 5.514 5.422 5.604 0.104 20 0 "[ . 1 . 2]" 1
502 1 82 ALA HA 1 83 THR H . . 2.830 2.193 2.167 2.235 . 0 0 "[ . 1 . 2]" 1
503 1 81 THR MG 1 83 THR H . . 4.800 4.074 3.777 4.270 . 0 0 "[ . 1 . 2]" 1
504 1 82 ALA MB 1 83 THR H . . 3.480 3.492 3.429 3.556 0.076 20 0 "[ . 1 . 2]" 1
505 1 56 TYR H 1 57 THR H . . 4.770 4.403 4.253 4.489 . 0 0 "[ . 1 . 2]" 1
506 1 56 TYR H 1 56 TYR QE . . 5.010 4.992 4.767 5.040 0.030 19 0 "[ . 1 . 2]" 1
507 1 56 TYR H 1 75 THR H . . 4.060 3.687 3.405 3.940 . 0 0 "[ . 1 . 2]" 1
508 1 55 LEU HA 1 56 TYR H . . 3.140 2.217 2.159 2.275 . 0 0 "[ . 1 . 2]" 1
509 1 56 TYR H 1 56 TYR HB2 . . 3.940 2.410 2.310 2.502 . 0 0 "[ . 1 . 2]" 1
510 1 56 TYR H 1 56 TYR HB3 . . 4.010 3.627 3.559 3.684 . 0 0 "[ . 1 . 2]" 1
511 1 55 LEU HG 1 56 TYR H . . 4.530 2.648 2.256 4.215 . 0 0 "[ . 1 . 2]" 1
512 1 55 LEU HB2 1 56 TYR H . . 4.270 3.927 3.772 4.134 . 0 0 "[ . 1 . 2]" 1
513 1 100 ASN HB3 1 101 ARG H . . 4.660 4.276 4.106 4.376 . 0 0 "[ . 1 . 2]" 1
514 1 101 ARG H 1 101 ARG QG . . 4.030 3.204 2.657 4.322 0.292 17 0 "[ . 1 . 2]" 1
515 1 98 THR MG 1 101 ARG H . . 4.230 4.029 3.478 4.244 0.014 20 0 "[ . 1 . 2]" 1
516 1 59 ARG HE 1 106 TRP HE1 . . 4.030 3.503 2.352 4.056 0.026 4 0 "[ . 1 . 2]" 1
517 1 105 THR HA 1 106 TRP HE1 . . 5.050 4.892 4.716 5.053 0.003 12 0 "[ . 1 . 2]" 1
518 1 106 TRP HB2 1 106 TRP HE1 . . 4.890 4.804 4.794 4.820 . 0 0 "[ . 1 . 2]" 1
519 1 59 ARG HD2 1 106 TRP HE1 . . 5.500 4.577 3.647 5.493 . 0 0 "[ . 1 . 2]" 1
520 1 59 ARG HD3 1 106 TRP HE1 . . 5.500 4.657 3.799 5.499 . 0 0 "[ . 1 . 2]" 1
521 1 93 PHE H 1 94 SER H . . 4.790 4.461 4.339 4.519 . 0 0 "[ . 1 . 2]" 1
522 1 94 SER H 1 95 VAL H . . 4.630 4.372 4.304 4.428 . 0 0 "[ . 1 . 2]" 1
523 1 93 PHE QD 1 94 SER H . . 4.110 4.022 3.891 4.146 0.036 20 0 "[ . 1 . 2]" 1
524 1 93 PHE HA 1 94 SER H . . 3.000 2.243 2.176 2.359 . 0 0 "[ . 1 . 2]" 1
525 1 93 PHE HB3 1 94 SER H . . 3.890 2.885 2.540 3.144 . 0 0 "[ . 1 . 2]" 1
526 1 60 TRP HB3 1 94 SER H . . 4.810 4.322 3.958 4.583 . 0 0 "[ . 1 . 2]" 1
527 1 59 ARG HG2 1 94 SER H . . 5.500 3.779 2.857 4.859 . 0 0 "[ . 1 . 2]" 1
528 1 59 ARG HG3 1 94 SER H . . 4.500 4.206 3.517 4.514 0.014 2 0 "[ . 1 . 2]" 1
529 1 91 TYR H 1 114 THR H . . 5.500 5.402 5.211 5.511 0.011 2 0 "[ . 1 . 2]" 1
530 1 91 TYR H 1 92 GLU H . . 5.140 4.391 4.363 4.420 . 0 0 "[ . 1 . 2]" 1
531 1 91 TYR H 1 91 TYR QE . . 4.740 4.532 4.289 4.641 . 0 0 "[ . 1 . 2]" 1
532 1 90 MET HB2 1 91 TYR H . . 4.530 3.910 3.835 3.998 . 0 0 "[ . 1 . 2]" 1
533 1 58 VAL H 1 74 ASP QB . . 5.500 5.516 5.310 5.599 0.099 11 0 "[ . 1 . 2]" 1
534 1 60 TRP HE1 1 85 LEU HA . . 5.000 4.973 4.776 5.025 0.025 20 0 "[ . 1 . 2]" 1
535 1 60 TRP HE1 1 85 LEU HG . . 5.500 5.160 4.780 5.505 0.005 5 0 "[ . 1 . 2]" 1
536 1 90 MET HA 1 91 TYR H . . 3.250 2.290 2.242 2.306 . 0 0 "[ . 1 . 2]" 1
537 1 90 MET HG2 1 91 TYR H . . 3.700 2.223 1.976 2.536 . 0 0 "[ . 1 . 2]" 1
538 1 90 MET HB3 1 91 TYR H . . 4.500 3.864 3.778 3.973 . 0 0 "[ . 1 . 2]" 1
539 1 58 VAL H 1 59 ARG H . . 4.970 4.222 4.101 4.338 . 0 0 "[ . 1 . 2]" 1
540 1 58 VAL H 1 74 ASP HA . . 4.160 4.067 3.658 4.179 0.019 9 0 "[ . 1 . 2]" 1
541 1 57 THR HA 1 58 VAL H . . 3.150 2.279 2.215 2.342 . 0 0 "[ . 1 . 2]" 1
542 1 57 THR HB 1 58 VAL H . . 4.590 3.730 3.546 3.956 . 0 0 "[ . 1 . 2]" 1
543 1 60 TRP HE1 1 91 TYR QE . . 5.470 5.433 5.224 5.504 0.034 11 0 "[ . 1 . 2]" 1
544 1 60 TRP HE1 1 71 LYS HB3 . . 4.230 3.736 3.130 4.239 0.009 13 0 "[ . 1 . 2]" 1
545 1 60 TRP HE1 1 85 LEU MD2 . . 3.150 2.550 2.274 2.760 . 0 0 "[ . 1 . 2]" 1
546 1 60 TRP HE1 1 71 LYS HB2 . . 4.070 3.855 3.315 4.079 0.009 11 0 "[ . 1 . 2]" 1
547 1 60 TRP HE1 1 82 ALA MB . . 4.310 3.595 2.935 3.926 . 0 0 "[ . 1 . 2]" 1
548 1 110 ALA H 1 111 HIS H . . 4.730 4.382 4.168 4.555 . 0 0 "[ . 1 . 2]" 1
549 1 111 HIS H 1 112 ALA H . . 5.170 4.511 4.328 4.567 . 0 0 "[ . 1 . 2]" 1
550 1 42 ASN H 1 43 SER H . . 3.710 2.228 1.803 2.786 . 0 0 "[ . 1 . 2]" 1
551 1 118 SER HB2 1 119 GLY H . . 5.230 4.020 2.400 4.628 . 0 0 "[ . 1 . 2]" 1
552 1 118 SER HB3 1 119 GLY H . . 5.230 3.856 2.169 4.521 . 0 0 "[ . 1 . 2]" 1
553 1 31 THR HB 1 32 HIS HE1 . . 5.270 5.002 4.843 5.170 . 0 0 "[ . 1 . 2]" 1
554 1 31 THR MG 1 32 HIS HE1 . . 4.660 3.344 2.896 4.051 . 0 0 "[ . 1 . 2]" 1
555 1 63 SER HA 1 111 HIS HE1 . . 5.500 4.758 3.596 5.440 . 0 0 "[ . 1 . 2]" 1
556 1 109 THR HB 1 111 HIS HE1 . . 5.500 5.285 4.758 5.509 0.009 4 0 "[ . 1 . 2]" 1
557 1 92 GLU HB2 1 111 HIS HE1 . . 4.290 2.891 2.172 4.306 0.016 4 0 "[ . 1 . 2]" 1
558 1 92 GLU HB3 1 111 HIS HE1 . . 4.290 3.568 1.994 4.330 0.040 8 0 "[ . 1 . 2]" 1
559 1 109 THR MG 1 111 HIS HE1 . . 4.280 3.352 2.657 4.024 . 0 0 "[ . 1 . 2]" 1
560 1 60 TRP HE3 1 93 PHE QD . . 4.180 3.610 2.831 4.185 0.005 17 0 "[ . 1 . 2]" 1
561 1 60 TRP HB2 1 93 PHE QD . . 3.960 3.813 3.525 3.984 0.024 1 0 "[ . 1 . 2]" 1
562 1 60 TRP HB3 1 93 PHE QD . . 4.160 2.870 2.374 3.242 . 0 0 "[ . 1 . 2]" 1
563 1 93 PHE QD 1 110 ALA H . . 4.960 4.655 4.365 4.971 0.011 20 0 "[ . 1 . 2]" 1
564 1 70 TYR QD 1 71 LYS H . . 4.070 3.811 3.273 4.101 0.031 14 0 "[ . 1 . 2]" 1
565 1 69 LYS HA 1 70 TYR QD . . 4.350 3.923 3.475 4.352 0.002 5 0 "[ . 1 . 2]" 1
566 1 59 ARG HB2 1 70 TYR QD . . 3.780 2.870 2.443 3.093 . 0 0 "[ . 1 . 2]" 1
567 1 59 ARG HG2 1 70 TYR QD . . 4.440 4.407 4.142 4.571 0.131 19 0 "[ . 1 . 2]" 1
568 1 59 ARG HD2 1 70 TYR QD . . 4.680 3.395 2.009 4.698 0.018 5 0 "[ . 1 . 2]" 1
569 1 59 ARG HD3 1 70 TYR QD . . 4.680 3.482 1.961 4.686 0.006 15 0 "[ . 1 . 2]" 1
570 1 60 TRP HA 1 70 TYR QD . . 4.350 4.148 3.473 4.371 0.021 12 0 "[ . 1 . 2]" 1
571 1 70 TYR HA 1 70 TYR QD . . 3.760 2.975 2.745 3.046 . 0 0 "[ . 1 . 2]" 1
572 1 59 ARG HG3 1 70 TYR QD . . 4.270 2.931 2.397 3.460 . 0 0 "[ . 1 . 2]" 1
573 1 115 TYR HA 1 115 TYR QD . . 3.480 2.855 2.623 3.050 . 0 0 "[ . 1 . 2]" 1
574 1 115 TYR QD 1 116 GLU H . . 4.220 3.994 3.639 4.231 0.011 2 0 "[ . 1 . 2]" 1
575 1 31 THR H 1 115 TYR QD . . 4.220 3.904 3.646 4.076 . 0 0 "[ . 1 . 2]" 1
576 1 114 THR HA 1 115 TYR QD . . 4.280 3.922 3.544 4.226 . 0 0 "[ . 1 . 2]" 1
577 1 80 TYR H 1 80 TYR QD . . 4.860 4.201 4.074 4.296 . 0 0 "[ . 1 . 2]" 1
578 1 75 THR HB 1 80 TYR QD . . 3.650 2.590 2.001 2.868 . 0 0 "[ . 1 . 2]" 1
579 1 37 VAL MG1 1 80 TYR QD . . 5.140 4.806 4.512 5.143 0.003 3 0 "[ . 1 . 2]" 1
580 1 58 VAL HB 1 80 TYR QD . . 4.600 3.858 3.592 4.086 . 0 0 "[ . 1 . 2]" 1
581 1 64 PHE H 1 64 PHE QE . . 4.930 4.643 4.445 4.834 . 0 0 "[ . 1 . 2]" 1
582 1 64 PHE HA 1 64 PHE QE . . 4.820 4.656 4.467 4.792 . 0 0 "[ . 1 . 2]" 1
583 1 64 PHE H 1 64 PHE QD . . 4.480 3.424 3.205 3.616 . 0 0 "[ . 1 . 2]" 1
584 1 63 SER H 1 64 PHE QD . . 5.500 4.943 4.563 5.284 . 0 0 "[ . 1 . 2]" 1
585 1 64 PHE HA 1 64 PHE QD . . 3.500 2.657 2.309 3.020 . 0 0 "[ . 1 . 2]" 1
586 1 64 PHE QD 1 90 MET ME . . 4.200 3.721 3.049 4.214 0.014 15 0 "[ . 1 . 2]" 1
587 1 91 TYR HB2 1 93 PHE HZ . . 4.420 3.830 3.554 4.020 . 0 0 "[ . 1 . 2]" 1
588 1 35 VAL HB 1 93 PHE HZ . . 3.880 3.177 2.917 3.417 . 0 0 "[ . 1 . 2]" 1
589 1 35 VAL MG1 1 93 PHE HZ . . 3.600 2.945 2.551 3.264 . 0 0 "[ . 1 . 2]" 1
590 1 91 TYR QE 1 93 PHE HZ . . 4.800 3.288 2.739 3.683 . 0 0 "[ . 1 . 2]" 1
591 1 91 TYR HB3 1 93 PHE HZ . . 5.500 5.360 5.077 5.512 0.012 8 0 "[ . 1 . 2]" 1
592 1 87 PRO HA 1 114 THR HG1 . . 3.400 2.143 1.982 2.365 . 0 0 "[ . 1 . 2]" 1
593 1 32 HIS HA 1 87 PRO HA . . 4.410 3.309 3.170 3.427 . 0 0 "[ . 1 . 2]" 1
594 1 87 PRO HA 1 114 THR HB . . 3.850 3.091 2.976 3.171 . 0 0 "[ . 1 . 2]" 1
595 1 32 HIS HB2 1 87 PRO HA . . 4.140 2.747 2.586 2.925 . 0 0 "[ . 1 . 2]" 1
596 1 87 PRO HA 1 114 THR MG . . 4.090 3.836 3.743 3.898 . 0 0 "[ . 1 . 2]" 1
597 1 106 TRP H 1 106 TRP HD1 . . 3.450 2.383 2.071 2.557 . 0 0 "[ . 1 . 2]" 1
598 1 59 ARG HE 1 106 TRP HD1 . . 5.410 4.558 3.511 5.434 0.024 18 0 "[ . 1 . 2]" 1
599 1 105 THR HB 1 106 TRP HD1 . . 5.500 5.498 5.398 5.523 0.023 2 0 "[ . 1 . 2]" 1
600 1 105 THR HA 1 106 TRP HD1 . . 4.090 3.542 3.393 3.723 . 0 0 "[ . 1 . 2]" 1
601 1 106 TRP HA 1 106 TRP HD1 . . 4.700 4.130 3.945 4.248 . 0 0 "[ . 1 . 2]" 1
602 1 106 TRP HB2 1 106 TRP HD1 . . 3.620 2.707 2.678 2.753 . 0 0 "[ . 1 . 2]" 1
603 1 105 THR MG 1 106 TRP HD1 . . 5.440 5.224 5.078 5.292 . 0 0 "[ . 1 . 2]" 1
604 1 56 TYR H 1 76 THR HA . . 4.090 3.324 2.870 3.611 . 0 0 "[ . 1 . 2]" 1
605 1 55 LEU HA 1 76 THR HA . . 4.260 3.711 2.977 4.172 . 0 0 "[ . 1 . 2]" 1
606 1 57 THR HA 1 106 TRP HH2 . . 5.170 4.797 4.408 5.178 0.008 10 0 "[ . 1 . 2]" 1
607 1 57 THR HA 1 75 THR H . . 4.380 3.405 3.095 3.669 . 0 0 "[ . 1 . 2]" 1
608 1 56 TYR HB3 1 57 THR HA . . 4.920 4.549 4.411 4.723 . 0 0 "[ . 1 . 2]" 1
609 1 57 THR HA 1 74 ASP QB . . 5.210 4.359 4.213 4.524 . 0 0 "[ . 1 . 2]" 1
610 1 59 ARG H 1 95 VAL HA . . 4.270 4.151 3.788 4.287 0.017 3 0 "[ . 1 . 2]" 1
611 1 95 VAL HA 1 106 TRP HE3 . . 4.230 2.967 2.656 3.520 . 0 0 "[ . 1 . 2]" 1
612 1 94 SER HA 1 95 VAL HA . . 4.900 4.491 4.394 4.581 . 0 0 "[ . 1 . 2]" 1
613 1 95 VAL HA 1 96 MET HA . . 5.250 4.466 4.425 4.494 . 0 0 "[ . 1 . 2]" 1
614 1 59 ARG HG2 1 95 VAL HA . . 5.500 5.278 4.512 5.509 0.009 5 0 "[ . 1 . 2]" 1
615 1 57 THR H 1 95 VAL HA . . 4.810 4.538 4.191 4.731 . 0 0 "[ . 1 . 2]" 1
616 1 95 VAL HA 1 106 TRP HZ3 . . 3.990 2.765 2.050 3.211 . 0 0 "[ . 1 . 2]" 1
617 1 58 VAL MG1 1 95 VAL HA . . 4.230 3.959 3.766 4.233 0.003 18 0 "[ . 1 . 2]" 1
618 1 89 THR H 1 113 THR HA . . 4.960 4.750 4.586 4.954 . 0 0 "[ . 1 . 2]" 1
619 1 91 TYR H 1 113 THR HA . . 4.120 3.975 3.786 4.088 . 0 0 "[ . 1 . 2]" 1
620 1 90 MET HA 1 113 THR HA . . 3.420 2.214 2.111 2.341 . 0 0 "[ . 1 . 2]" 1
621 1 90 MET HB2 1 113 THR HA . . 4.660 2.021 1.977 2.325 . 0 0 "[ . 1 . 2]" 1
622 1 75 THR HA 1 77 SER H . . 4.560 3.847 3.689 3.985 . 0 0 "[ . 1 . 2]" 1
623 1 60 TRP HD1 1 61 ARG H . . 4.820 4.392 3.791 4.818 . 0 0 "[ . 1 . 2]" 1
624 1 60 TRP HD1 1 91 TYR HB3 . . 4.910 4.406 4.121 4.706 . 0 0 "[ . 1 . 2]" 1
625 1 60 TRP HD1 1 61 ARG HA . . 4.640 3.850 3.368 4.242 . 0 0 "[ . 1 . 2]" 1
626 1 75 THR HA 1 76 THR MG . . 4.330 3.852 3.264 4.059 . 0 0 "[ . 1 . 2]" 1
627 1 28 VAL QG 1 37 VAL HA . . 5.170 3.911 3.558 4.184 . 0 0 "[ . 1 . 2]" 1
628 1 34 ALA H 1 83 THR HA . . 5.170 4.850 4.542 5.038 . 0 0 "[ . 1 . 2]" 1
629 1 28 VAL H 1 37 VAL HA . . 4.770 2.677 2.474 2.900 . 0 0 "[ . 1 . 2]" 1
630 1 27 ALA MB 1 37 VAL HA . . 4.720 3.722 3.423 3.887 . 0 0 "[ . 1 . 2]" 1
631 1 60 TRP HH2 1 71 LYS QE . . 5.350 4.350 2.867 5.441 0.091 17 0 "[ . 1 . 2]" 1
632 1 60 TRP HH2 1 73 GLU HG2 . . 4.480 2.781 1.992 4.256 . 0 0 "[ . 1 . 2]" 1
633 1 58 VAL MG1 1 60 TRP HH2 . . 5.450 4.586 3.944 5.186 . 0 0 "[ . 1 . 2]" 1
634 1 60 TRP HH2 1 73 GLU H . . 4.770 4.388 3.858 4.756 . 0 0 "[ . 1 . 2]" 1
635 1 58 VAL HB 1 60 TRP HH2 . . 5.020 4.482 3.755 4.990 . 0 0 "[ . 1 . 2]" 1
636 1 60 TRP HH2 1 71 LYS HB3 . . 5.020 4.344 3.748 4.660 . 0 0 "[ . 1 . 2]" 1
637 1 60 TRP HH2 1 82 ALA MB . . 4.660 4.317 3.913 4.685 0.025 11 0 "[ . 1 . 2]" 1
638 1 39 TRP HD1 1 40 ALA H . . 4.320 3.268 3.011 3.562 . 0 0 "[ . 1 . 2]" 1
639 1 39 TRP H 1 39 TRP HD1 . . 4.820 4.426 4.338 4.537 . 0 0 "[ . 1 . 2]" 1
640 1 22 PRO HB2 1 39 TRP HD1 . . 3.710 2.596 2.257 3.214 . 0 0 "[ . 1 . 2]" 1
641 1 22 PRO HB3 1 39 TRP HD1 . . 3.870 2.588 2.220 2.818 . 0 0 "[ . 1 . 2]" 1
642 1 39 TRP HD1 1 56 TYR QE . . 4.560 3.126 2.840 3.726 . 0 0 "[ . 1 . 2]" 1
643 1 39 TRP HA 1 39 TRP HD1 . . 4.680 4.546 4.476 4.651 . 0 0 "[ . 1 . 2]" 1
644 1 22 PRO HG2 1 39 TRP HD1 . . 4.950 4.523 4.128 4.820 . 0 0 "[ . 1 . 2]" 1
645 1 39 TRP HD1 1 95 VAL MG1 . . 4.840 3.539 2.891 4.056 . 0 0 "[ . 1 . 2]" 1
646 1 39 TRP HH2 1 80 TYR HA . . 5.000 4.719 4.308 5.005 0.005 6 0 "[ . 1 . 2]" 1
647 1 39 TRP HH2 1 80 TYR HB2 . . 3.800 3.003 2.586 3.211 . 0 0 "[ . 1 . 2]" 1
648 1 39 TRP HH2 1 58 VAL MG1 . . 4.910 4.335 4.149 4.525 . 0 0 "[ . 1 . 2]" 1
649 1 37 VAL MG1 1 39 TRP HH2 . . 4.960 4.812 4.465 4.968 0.008 11 0 "[ . 1 . 2]" 1
650 1 39 TRP HH2 1 80 TYR HB3 . . 4.020 3.622 3.340 3.910 . 0 0 "[ . 1 . 2]" 1
651 1 37 VAL HB 1 39 TRP HH2 . . 5.350 5.112 4.786 5.358 0.008 5 0 "[ . 1 . 2]" 1
652 1 96 MET HG3 1 106 TRP HZ3 . . 4.440 3.709 2.428 4.320 . 0 0 "[ . 1 . 2]" 1
653 1 59 ARG HB3 1 106 TRP HZ3 . . 5.070 3.642 3.251 4.419 . 0 0 "[ . 1 . 2]" 1
654 1 59 ARG HG2 1 106 TRP HZ3 . . 5.270 3.275 2.687 4.038 . 0 0 "[ . 1 . 2]" 1
655 1 57 THR HB 1 106 TRP HZ3 . . 4.770 3.529 2.740 4.045 . 0 0 "[ . 1 . 2]" 1
656 1 95 VAL HA 1 106 TRP HH2 . . 5.500 5.058 4.379 5.502 0.002 11 0 "[ . 1 . 2]" 1
657 1 98 THR HA 1 103 SER HA . . 3.400 2.080 1.984 2.480 . 0 0 "[ . 1 . 2]" 1
658 1 19 MET QG 1 103 SER HA . . 5.240 4.711 4.295 5.123 . 0 0 "[ . 1 . 2]" 1
659 1 59 ARG HA 1 72 SER HA . . 3.600 2.515 2.048 2.815 . 0 0 "[ . 1 . 2]" 1
660 1 57 THR MG 1 72 SER HA . . 4.030 3.429 3.072 4.080 0.050 12 0 "[ . 1 . 2]" 1
661 1 98 THR MG 1 103 SER HA . . 3.850 2.681 2.426 3.082 . 0 0 "[ . 1 . 2]" 1
662 1 56 TYR HA 1 96 MET H . . 4.930 4.025 3.817 4.293 . 0 0 "[ . 1 . 2]" 1
663 1 56 TYR HA 1 56 TYR QE . . 4.800 4.514 4.423 4.608 . 0 0 "[ . 1 . 2]" 1
664 1 56 TYR HA 1 97 VAL HA . . 3.730 2.540 2.289 2.759 . 0 0 "[ . 1 . 2]" 1
665 1 56 TYR HA 1 57 THR HB . . 5.040 4.728 4.621 4.842 . 0 0 "[ . 1 . 2]" 1
666 1 56 TYR HA 1 97 VAL HB . . 4.910 3.933 3.470 4.302 . 0 0 "[ . 1 . 2]" 1
667 1 56 TYR HA 1 75 THR MG . . 4.710 4.708 4.641 4.739 0.029 12 0 "[ . 1 . 2]" 1
668 1 55 LEU HG 1 56 TYR HA . . 5.500 3.900 3.484 5.581 0.081 15 0 "[ . 1 . 2]" 1
669 1 56 TYR HA 1 96 MET HG3 . . 5.500 4.347 3.966 4.785 . 0 0 "[ . 1 . 2]" 1
670 1 32 HIS HA 1 115 TYR HB3 . . 4.920 4.634 4.321 4.907 . 0 0 "[ . 1 . 2]" 1
671 1 32 HIS HA 1 114 THR HB . . 4.170 2.008 1.983 2.056 . 0 0 "[ . 1 . 2]" 1
672 1 60 TRP HZ3 1 80 TYR QE . . 4.570 3.510 3.208 3.838 . 0 0 "[ . 1 . 2]" 1
673 1 60 TRP HZ3 1 82 ALA MB . . 5.190 4.556 4.199 4.805 . 0 0 "[ . 1 . 2]" 1
674 1 60 TRP HZ3 1 72 SER HA . . 4.320 3.768 2.596 4.324 0.004 17 0 "[ . 1 . 2]" 1
675 1 60 TRP HE3 1 72 SER HA . . 5.150 4.495 3.498 5.019 . 0 0 "[ . 1 . 2]" 1
676 1 60 TRP HH2 1 72 SER HA . . 5.500 4.736 3.603 5.405 . 0 0 "[ . 1 . 2]" 1
677 1 32 HIS HA 1 114 THR H . . 5.500 5.476 5.423 5.513 0.013 3 0 "[ . 1 . 2]" 1
678 1 59 ARG H 1 93 PHE HA . . 5.190 4.646 4.272 4.993 . 0 0 "[ . 1 . 2]" 1
679 1 61 ARG H 1 93 PHE HA . . 5.080 4.737 4.198 5.112 0.032 3 0 "[ . 1 . 2]" 1
680 1 93 PHE HA 1 93 PHE QD . . 3.800 3.110 3.024 3.179 . 0 0 "[ . 1 . 2]" 1
681 1 60 TRP HB2 1 93 PHE HA . . 4.340 3.865 3.450 4.197 . 0 0 "[ . 1 . 2]" 1
682 1 60 TRP HB3 1 93 PHE HA . . 4.440 2.954 2.555 3.252 . 0 0 "[ . 1 . 2]" 1
683 1 58 VAL MG1 1 93 PHE HA . . 4.570 4.134 3.838 4.430 . 0 0 "[ . 1 . 2]" 1
684 1 37 VAL MG2 1 93 PHE HA . . 5.130 4.436 4.201 4.672 . 0 0 "[ . 1 . 2]" 1
685 1 60 TRP HA 1 92 GLU H . . 4.840 4.148 3.787 4.432 . 0 0 "[ . 1 . 2]" 1
686 1 60 TRP HA 1 60 TRP HE3 . . 4.960 4.164 3.971 4.367 . 0 0 "[ . 1 . 2]" 1
687 1 60 TRP HA 1 93 PHE QD . . 4.820 4.578 4.182 4.851 0.031 19 0 "[ . 1 . 2]" 1
688 1 60 TRP HA 1 60 TRP HD1 . . 4.550 4.490 4.349 4.610 0.060 8 0 "[ . 1 . 2]" 1
689 1 60 TRP HE3 1 71 LYS HB3 . . 4.920 4.312 3.822 4.898 . 0 0 "[ . 1 . 2]" 1
690 1 37 VAL MG2 1 39 TRP HZ3 . . 4.860 4.512 4.252 4.756 . 0 0 "[ . 1 . 2]" 1
691 1 39 TRP HZ3 1 80 TYR HB2 . . 4.420 3.615 2.961 3.910 . 0 0 "[ . 1 . 2]" 1
692 1 39 TRP HZ3 1 75 THR MG . . 4.790 4.237 4.005 4.485 . 0 0 "[ . 1 . 2]" 1
693 1 111 HIS HA 1 112 ALA H . . 3.090 2.217 2.149 2.341 . 0 0 "[ . 1 . 2]" 1
694 1 111 HIS HA 1 111 HIS HD2 . . 4.800 4.679 4.617 4.741 . 0 0 "[ . 1 . 2]" 1
695 1 109 THR MG 1 111 HIS HA . . 5.080 3.982 3.752 4.437 . 0 0 "[ . 1 . 2]" 1
696 1 27 ALA MB 1 111 HIS HA . . 4.680 3.860 3.542 4.060 . 0 0 "[ . 1 . 2]" 1
697 1 91 TYR H 1 111 HIS HA . . 4.800 4.579 4.314 4.722 . 0 0 "[ . 1 . 2]" 1
698 1 93 PHE QD 1 111 HIS HA . . 4.260 3.591 3.196 3.998 . 0 0 "[ . 1 . 2]" 1
699 1 90 MET HG2 1 111 HIS HA . . 4.750 3.848 3.617 4.185 . 0 0 "[ . 1 . 2]" 1
700 1 95 VAL H 1 106 TRP HE3 . . 4.420 2.910 2.279 3.457 . 0 0 "[ . 1 . 2]" 1
701 1 94 SER HG 1 106 TRP HE3 . . 4.600 3.627 2.082 4.333 . 0 0 "[ . 1 . 2]" 1
702 1 94 SER HA 1 106 TRP HE3 . . 4.970 4.246 3.896 4.713 . 0 0 "[ . 1 . 2]" 1
703 1 96 MET HA 1 106 TRP HE3 . . 5.360 4.604 4.081 4.961 . 0 0 "[ . 1 . 2]" 1
704 1 106 TRP HA 1 106 TRP HE3 . . 3.730 3.301 3.180 3.494 . 0 0 "[ . 1 . 2]" 1
705 1 94 SER HB3 1 106 TRP HE3 . . 4.680 2.630 1.994 4.640 . 0 0 "[ . 1 . 2]" 1
706 1 106 TRP HB3 1 106 TRP HE3 . . 4.020 2.523 2.477 2.555 . 0 0 "[ . 1 . 2]" 1
707 1 106 TRP HE3 1 107 SER H . . 4.140 3.788 3.415 4.067 . 0 0 "[ . 1 . 2]" 1
708 1 96 MET HG3 1 106 TRP HE3 . . 4.870 4.312 3.140 4.874 0.004 9 0 "[ . 1 . 2]" 1
709 1 39 TRP HB3 1 39 TRP HE3 . . 3.940 2.658 2.596 2.750 . 0 0 "[ . 1 . 2]" 1
710 1 37 VAL MG2 1 39 TRP HE3 . . 5.220 4.984 4.796 5.190 . 0 0 "[ . 1 . 2]" 1
711 1 106 TRP HB2 1 106 TRP HE3 . . 4.200 4.077 4.035 4.104 . 0 0 "[ . 1 . 2]" 1
712 1 59 ARG HG2 1 106 TRP HE3 . . 5.060 3.718 3.384 4.324 . 0 0 "[ . 1 . 2]" 1
713 1 96 MET HB3 1 106 TRP HE3 . . 4.410 3.275 2.744 3.660 . 0 0 "[ . 1 . 2]" 1
714 1 111 HIS H 1 111 HIS HD2 . . 4.410 4.385 4.232 4.444 0.034 2 0 "[ . 1 . 2]" 1
715 1 39 TRP HA 1 39 TRP HE3 . . 4.180 4.081 3.906 4.190 0.010 18 0 "[ . 1 . 2]" 1
716 1 89 THR HA 1 91 TYR QE . . 4.170 4.162 4.090 4.193 0.023 16 0 "[ . 1 . 2]" 1
717 1 89 THR HB 1 91 TYR QE . . 3.320 2.005 1.975 2.075 . 0 0 "[ . 1 . 2]" 1
718 1 86 LYS QB 1 91 TYR QE . . 4.110 2.772 2.512 2.955 . 0 0 "[ . 1 . 2]" 1
719 1 85 LEU HB2 1 91 TYR QE . . 3.920 3.009 2.785 3.227 . 0 0 "[ . 1 . 2]" 1
720 1 85 LEU HB3 1 91 TYR QE . . 3.920 2.046 1.985 2.364 . 0 0 "[ . 1 . 2]" 1
721 1 89 THR H 1 91 TYR QE . . 4.730 4.515 3.935 4.731 0.001 9 0 "[ . 1 . 2]" 1
722 1 30 LEU H 1 115 TYR QE . . 4.480 4.136 3.721 4.462 . 0 0 "[ . 1 . 2]" 1
723 1 60 TRP HZ2 1 80 TYR QE . . 4.610 3.639 3.200 4.005 . 0 0 "[ . 1 . 2]" 1
724 1 80 TYR QE 1 81 THR H . . 5.060 4.081 3.857 4.294 . 0 0 "[ . 1 . 2]" 1
725 1 73 GLU HB2 1 80 TYR QE . . 4.270 3.337 2.568 4.327 0.057 11 0 "[ . 1 . 2]" 1
726 1 29 ALA H 1 115 TYR QE . . 5.050 4.843 4.691 4.970 . 0 0 "[ . 1 . 2]" 1
727 1 114 THR HA 1 115 TYR QE . . 5.230 4.799 4.499 5.156 . 0 0 "[ . 1 . 2]" 1
728 1 31 THR H 1 115 TYR QE . . 4.400 3.876 3.438 4.131 . 0 0 "[ . 1 . 2]" 1
729 1 30 LEU HA 1 115 TYR QE . . 3.800 3.479 3.183 3.692 . 0 0 "[ . 1 . 2]" 1
730 1 115 TYR HA 1 115 TYR QE . . 4.870 4.674 4.530 4.782 . 0 0 "[ . 1 . 2]" 1
731 1 29 ALA HA 1 115 TYR QE . . 4.840 4.439 4.067 4.721 . 0 0 "[ . 1 . 2]" 1
732 1 30 LEU QB 1 115 TYR QE . . 4.840 4.667 4.419 4.851 0.011 20 0 "[ . 1 . 2]" 1
733 1 29 ALA MB 1 115 TYR QE . . 3.080 2.798 2.562 3.042 . 0 0 "[ . 1 . 2]" 1
734 1 80 TYR QE 1 83 THR H . . 3.970 3.870 3.760 3.974 0.004 20 0 "[ . 1 . 2]" 1
735 1 60 TRP HH2 1 80 TYR QE . . 3.820 2.860 2.402 3.183 . 0 0 "[ . 1 . 2]" 1
736 1 75 THR HB 1 80 TYR QE . . 4.230 4.043 2.809 4.266 0.036 20 0 "[ . 1 . 2]" 1
737 1 80 TYR QE 1 82 ALA HA . . 3.300 2.003 1.946 2.155 . 0 0 "[ . 1 . 2]" 1
738 1 73 GLU HG3 1 80 TYR QE . . 4.410 2.514 1.992 3.554 . 0 0 "[ . 1 . 2]" 1
739 1 73 GLU HB3 1 80 TYR QE . . 4.270 2.799 2.093 4.202 . 0 0 "[ . 1 . 2]" 1
740 1 75 THR MG 1 80 TYR QE . . 4.990 4.669 3.848 4.979 . 0 0 "[ . 1 . 2]" 1
741 1 58 VAL MG1 1 80 TYR QE . . 4.270 4.000 3.473 4.272 0.002 12 0 "[ . 1 . 2]" 1
742 1 58 VAL MG2 1 80 TYR QE . . 4.860 4.658 4.178 4.862 0.002 9 0 "[ . 1 . 2]" 1
743 1 32 HIS HD2 1 33 ASP H . . 4.820 3.297 3.027 3.503 . 0 0 "[ . 1 . 2]" 1
744 1 32 HIS HA 1 32 HIS HD2 . . 4.940 4.777 4.707 4.820 . 0 0 "[ . 1 . 2]" 1
745 1 32 HIS HD2 1 33 ASP HA . . 4.600 4.401 4.169 4.558 . 0 0 "[ . 1 . 2]" 1
746 1 32 HIS HD2 1 87 PRO HD3 . . 4.550 4.038 3.794 4.281 . 0 0 "[ . 1 . 2]" 1
747 1 32 HIS HD2 1 33 ASP HB2 . . 4.450 3.872 2.929 4.447 . 0 0 "[ . 1 . 2]" 1
748 1 32 HIS HD2 1 87 PRO QG . . 4.320 4.172 3.909 4.332 0.012 6 0 "[ . 1 . 2]" 1
749 1 59 ARG HA 1 60 TRP HE3 . . 4.160 2.792 2.564 3.046 . 0 0 "[ . 1 . 2]" 1
750 1 59 ARG HA 1 70 TYR QD . . 5.350 4.761 4.100 4.995 . 0 0 "[ . 1 . 2]" 1
751 1 59 ARG HA 1 106 TRP HH2 . . 5.500 4.598 4.010 5.257 . 0 0 "[ . 1 . 2]" 1
752 1 57 THR MG 1 74 ASP HA . . 3.970 3.437 2.955 3.866 . 0 0 "[ . 1 . 2]" 1
753 1 57 THR HA 1 74 ASP HA . . 3.440 2.777 2.260 2.980 . 0 0 "[ . 1 . 2]" 1
754 1 73 GLU HA 1 74 ASP HA . . 4.920 4.368 4.337 4.428 . 0 0 "[ . 1 . 2]" 1
755 1 74 ASP HA 1 75 THR HB . . 5.320 4.536 4.401 4.738 . 0 0 "[ . 1 . 2]" 1
756 1 40 ALA MB 1 41 ASP HA . . 4.850 4.082 3.886 4.308 . 0 0 "[ . 1 . 2]" 1
757 1 60 TRP H 1 70 TYR QE . . 5.490 5.167 4.279 5.497 0.007 7 0 "[ . 1 . 2]" 1
758 1 70 TYR H 1 70 TYR QE . . 5.310 5.136 4.910 5.346 0.036 20 0 "[ . 1 . 2]" 1
759 1 60 TRP HA 1 70 TYR QE . . 4.640 4.133 2.860 4.506 . 0 0 "[ . 1 . 2]" 1
760 1 59 ARG HG3 1 70 TYR QE . . 4.310 3.481 2.824 4.079 . 0 0 "[ . 1 . 2]" 1
761 1 56 TYR QE 1 97 VAL MG2 . . 4.500 2.727 2.210 3.373 . 0 0 "[ . 1 . 2]" 1
762 1 59 ARG HE 1 70 TYR QE . . 5.500 5.177 4.227 5.532 0.032 12 0 "[ . 1 . 2]" 1
763 1 70 TYR HA 1 70 TYR QE . . 4.660 4.481 4.412 4.516 . 0 0 "[ . 1 . 2]" 1
764 1 39 TRP HZ2 1 56 TYR QE . . 4.910 4.469 4.264 4.898 . 0 0 "[ . 1 . 2]" 1
765 1 39 TRP HZ2 1 79 SER H . . 5.190 4.023 3.638 4.363 . 0 0 "[ . 1 . 2]" 1
766 1 39 TRP HZ2 1 78 LEU HA . . 3.790 2.552 2.384 2.786 . 0 0 "[ . 1 . 2]" 1
767 1 39 TRP HZ2 1 56 TYR HB2 . . 3.870 3.082 2.632 3.416 . 0 0 "[ . 1 . 2]" 1
768 1 39 TRP HZ2 1 56 TYR HB3 . . 3.980 2.584 2.386 2.797 . 0 0 "[ . 1 . 2]" 1
769 1 34 ALA HA 1 83 THR HA . . 3.770 2.583 2.327 2.781 . 0 0 "[ . 1 . 2]" 1
770 1 26 GLN HB3 1 27 ALA HA . . 5.410 4.916 4.619 5.212 . 0 0 "[ . 1 . 2]" 1
771 1 27 ALA HA 1 28 VAL QG . . 4.400 3.697 3.542 3.856 . 0 0 "[ . 1 . 2]" 1
772 1 27 ALA HA 1 38 SER H . . 4.430 3.506 3.091 3.734 . 0 0 "[ . 1 . 2]" 1
773 1 27 ALA HA 1 37 VAL MG1 . . 4.750 2.897 2.569 3.072 . 0 0 "[ . 1 . 2]" 1
774 1 27 ALA HA 1 37 VAL MG2 . . 4.540 2.730 2.324 3.006 . 0 0 "[ . 1 . 2]" 1
775 1 59 ARG HD3 1 106 TRP HZ2 . . 4.900 3.941 2.797 4.901 0.001 16 0 "[ . 1 . 2]" 1
776 1 57 THR HB 1 106 TRP HZ2 . . 4.760 4.200 3.591 4.582 . 0 0 "[ . 1 . 2]" 1
777 1 57 THR MG 1 106 TRP HZ2 . . 4.080 3.525 3.049 3.880 . 0 0 "[ . 1 . 2]" 1
778 1 59 ARG HB3 1 106 TRP HZ2 . . 4.740 3.719 3.084 4.477 . 0 0 "[ . 1 . 2]" 1
779 1 59 ARG HG2 1 106 TRP HZ2 . . 5.270 4.540 3.316 5.314 0.044 18 0 "[ . 1 . 2]" 1
780 1 59 ARG HD2 1 106 TRP HZ2 . . 4.900 4.048 2.789 4.730 . 0 0 "[ . 1 . 2]" 1
781 1 60 TRP HZ2 1 71 LYS HD2 . . 4.090 3.397 2.006 4.098 0.008 11 0 "[ . 1 . 2]" 1
782 1 60 TRP HZ2 1 83 THR H . . 5.040 4.767 4.471 5.027 . 0 0 "[ . 1 . 2]" 1
783 1 60 TRP HZ2 1 85 LEU MD2 . . 4.380 3.859 3.682 4.060 . 0 0 "[ . 1 . 2]" 1
784 1 60 TRP HZ2 1 71 LYS HB3 . . 4.270 3.673 3.161 4.101 . 0 0 "[ . 1 . 2]" 1
785 1 60 TRP HZ2 1 71 LYS HB2 . . 4.770 4.495 3.864 4.787 0.017 19 0 "[ . 1 . 2]" 1
786 1 23 VAL HB 1 24 GLY HA3 . . 4.660 4.167 4.058 4.647 . 0 0 "[ . 1 . 2]" 1
787 1 83 THR HA 1 84 GLY HA2 . . 5.080 4.518 4.467 4.554 . 0 0 "[ . 1 . 2]" 1
788 1 84 GLY HA2 1 85 LEU HG . . 4.830 4.374 4.272 4.512 . 0 0 "[ . 1 . 2]" 1
789 1 83 THR HA 1 84 GLY HA3 . . 5.080 4.507 4.455 4.545 . 0 0 "[ . 1 . 2]" 1
790 1 84 GLY HA3 1 85 LEU HG . . 4.830 4.445 4.358 4.563 . 0 0 "[ . 1 . 2]" 1
791 1 91 TYR HB2 1 92 GLU H . . 4.510 2.643 2.323 2.879 . 0 0 "[ . 1 . 2]" 1
792 1 55 LEU HB3 1 56 TYR H . . 4.440 4.117 4.018 4.222 . 0 0 "[ . 1 . 2]" 1
793 1 54 ARG HA 1 55 LEU HB3 . . 4.610 4.332 4.171 4.513 . 0 0 "[ . 1 . 2]" 1
794 1 55 LEU HB3 1 97 VAL HA . . 5.340 4.993 4.769 5.098 . 0 0 "[ . 1 . 2]" 1
795 1 55 LEU HB3 1 98 THR HA . . 5.500 5.433 5.172 5.515 0.015 3 0 "[ . 1 . 2]" 1
796 1 55 LEU HB3 1 74 ASP QB . . 5.500 5.265 4.850 5.511 0.011 17 0 "[ . 1 . 2]" 1
797 1 55 LEU HB3 1 98 THR MG . . 4.180 4.032 3.769 4.194 0.014 13 0 "[ . 1 . 2]" 1
798 1 55 LEU H 1 55 LEU HB2 . . 3.760 3.288 2.832 3.536 . 0 0 "[ . 1 . 2]" 1
799 1 55 LEU HB2 1 98 THR HB . . 4.610 4.542 4.038 4.631 0.021 6 0 "[ . 1 . 2]" 1
800 1 55 LEU HB2 1 74 ASP QB . . 5.430 4.922 4.524 5.192 . 0 0 "[ . 1 . 2]" 1
801 1 55 LEU HB2 1 55 LEU MD2 . . 3.380 2.639 2.417 2.701 . 0 0 "[ . 1 . 2]" 1
802 1 55 LEU HB2 1 55 LEU MD1 . . 3.380 2.214 1.966 3.172 . 0 0 "[ . 1 . 2]" 1
803 1 91 TYR HB2 1 93 PHE QE . . 4.300 2.841 2.324 3.360 . 0 0 "[ . 1 . 2]" 1
804 1 91 TYR HB3 1 92 GLU H . . 4.360 2.494 2.419 2.599 . 0 0 "[ . 1 . 2]" 1
805 1 91 TYR HB3 1 93 PHE QE . . 4.790 4.444 4.023 4.797 0.007 13 0 "[ . 1 . 2]" 1
806 1 30 LEU H 1 30 LEU QB . . 3.760 2.557 2.504 2.625 . 0 0 "[ . 1 . 2]" 1
807 1 30 LEU QB 1 31 THR MG . . 3.680 3.370 3.190 3.473 . 0 0 "[ . 1 . 2]" 1
808 1 30 LEU QB 1 36 ARG H . . 4.680 4.114 3.911 4.243 . 0 0 "[ . 1 . 2]" 1
809 1 30 LEU QB 1 35 VAL HA . . 4.240 3.833 3.712 3.995 . 0 0 "[ . 1 . 2]" 1
810 1 37 VAL HB 1 80 TYR HB2 . . 4.870 4.609 4.115 4.741 . 0 0 "[ . 1 . 2]" 1
811 1 37 VAL MG1 1 80 TYR HB2 . . 5.500 5.326 4.831 5.493 . 0 0 "[ . 1 . 2]" 1
812 1 37 VAL MG2 1 80 TYR HB2 . . 5.500 5.471 5.207 5.512 0.012 13 0 "[ . 1 . 2]" 1
813 1 80 TYR HB2 1 81 THR H . . 4.860 3.964 3.874 4.043 . 0 0 "[ . 1 . 2]" 1
814 1 37 VAL MG2 1 80 TYR HB3 . . 4.940 3.971 3.776 4.028 . 0 0 "[ . 1 . 2]" 1
815 1 39 TRP HZ3 1 80 TYR HB3 . . 3.920 3.012 2.821 3.206 . 0 0 "[ . 1 . 2]" 1
816 1 37 VAL HB 1 80 TYR HB3 . . 4.590 2.967 2.602 3.117 . 0 0 "[ . 1 . 2]" 1
817 1 75 THR MG 1 80 TYR HB3 . . 3.960 3.794 3.618 3.992 0.032 11 0 "[ . 1 . 2]" 1
818 1 58 VAL MG1 1 93 PHE HB2 . . 5.500 5.024 4.556 5.515 0.015 8 0 "[ . 1 . 2]" 1
819 1 37 VAL MG2 1 93 PHE HB2 . . 4.460 3.179 2.813 3.579 . 0 0 "[ . 1 . 2]" 1
820 1 102 ARG H 1 102 ARG HD2 . . 5.500 5.159 4.911 5.448 . 0 0 "[ . 1 . 2]" 1
821 1 102 ARG H 1 102 ARG HD3 . . 5.500 5.211 5.030 5.358 . 0 0 "[ . 1 . 2]" 1
822 1 102 ARG HD2 1 103 SER H . . 5.500 5.331 4.579 5.510 0.010 13 0 "[ . 1 . 2]" 1
823 1 102 ARG HD3 1 103 SER H . . 5.500 4.980 4.407 5.517 0.017 19 0 "[ . 1 . 2]" 1
824 1 54 ARG QD 1 56 TYR QE . . 4.460 2.894 1.984 4.459 . 0 0 "[ . 1 . 2]" 1
825 1 54 ARG HB3 1 54 ARG QD . . 3.780 3.047 2.119 3.443 . 0 0 "[ . 1 . 2]" 1
826 1 54 ARG H 1 54 ARG QD . . 4.300 2.845 1.847 4.243 . 0 0 "[ . 1 . 2]" 1
827 1 54 ARG HA 1 54 ARG QD . . 4.270 3.698 2.589 4.286 0.016 10 0 "[ . 1 . 2]" 1
828 1 93 PHE HB3 1 110 ALA MB . . 4.520 3.903 3.357 4.537 0.017 2 0 "[ . 1 . 2]" 1
829 1 27 ALA MB 1 93 PHE HB3 . . 4.500 3.603 3.086 4.139 . 0 0 "[ . 1 . 2]" 1
830 1 93 PHE HB2 1 94 SER H . . 4.600 3.995 3.690 4.171 . 0 0 "[ . 1 . 2]" 1
831 1 37 VAL MG1 1 93 PHE HB2 . . 4.400 3.317 2.951 3.741 . 0 0 "[ . 1 . 2]" 1
832 1 101 ARG H 1 101 ARG QD . . 5.210 4.406 2.574 5.130 . 0 0 "[ . 1 . 2]" 1
833 1 101 ARG QB 1 101 ARG QD . . 2.860 2.195 2.052 2.441 . 0 0 "[ . 1 . 2]" 1
834 1 36 ARG QD 1 37 VAL H . . 4.070 3.083 2.744 3.459 . 0 0 "[ . 1 . 2]" 1
835 1 36 ARG QD 1 80 TYR H . . 4.720 3.215 2.874 3.608 . 0 0 "[ . 1 . 2]" 1
836 1 36 ARG QD 1 79 SER H . . 5.500 5.501 5.405 5.571 0.071 6 0 "[ . 1 . 2]" 1
837 1 36 ARG HA 1 36 ARG QD . . 3.710 2.210 1.991 2.526 . 0 0 "[ . 1 . 2]" 1
838 1 36 ARG QD 1 79 SER HB2 . . 3.860 2.101 1.970 2.691 . 0 0 "[ . 1 . 2]" 1
839 1 36 ARG HB3 1 36 ARG QD . . 3.450 3.388 3.276 3.465 0.015 10 0 "[ . 1 . 2]" 1
840 1 36 ARG HB2 1 36 ARG QD . . 3.250 2.494 2.141 2.695 . 0 0 "[ . 1 . 2]" 1
841 1 28 VAL QG 1 36 ARG QD . . 4.820 4.561 4.162 4.771 . 0 0 "[ . 1 . 2]" 1
842 1 73 GLU HA 1 74 ASP QB . . 4.280 4.149 4.003 4.295 0.015 19 0 "[ . 1 . 2]" 1
843 1 61 ARG HD2 1 70 TYR QE . . 5.070 4.174 2.304 4.963 . 0 0 "[ . 1 . 2]" 1
844 1 32 HIS HD2 1 33 ASP HB3 . . 4.450 3.434 2.298 4.445 . 0 0 "[ . 1 . 2]" 1
845 1 61 ARG HD3 1 62 THR H . . 4.880 3.864 2.590 4.901 0.021 14 0 "[ . 1 . 2]" 1
846 1 61 ARG HD3 1 70 TYR QE . . 5.070 3.796 1.997 5.099 0.029 15 0 "[ . 1 . 2]" 1
847 1 60 TRP HE1 1 71 LYS QE . . 4.600 4.114 2.871 4.621 0.021 11 0 "[ . 1 . 2]" 1
848 1 60 TRP HZ2 1 71 LYS QE . . 4.030 3.108 2.008 4.033 0.003 6 0 "[ . 1 . 2]" 1
849 1 71 LYS QE 1 71 LYS HG2 . . 3.560 2.600 2.093 3.488 . 0 0 "[ . 1 . 2]" 1
850 1 71 LYS HB3 1 71 LYS QE . . 4.280 3.925 3.283 4.254 . 0 0 "[ . 1 . 2]" 1
851 1 71 LYS HB2 1 71 LYS QE . . 4.280 3.660 2.032 4.293 0.013 15 0 "[ . 1 . 2]" 1
852 1 71 LYS HA 1 71 LYS QE . . 4.520 4.316 3.541 4.545 0.025 11 0 "[ . 1 . 2]" 1
853 1 41 ASP H 1 41 ASP HB2 . . 3.960 3.451 2.648 3.822 . 0 0 "[ . 1 . 2]" 1
854 1 41 ASP HB3 1 78 LEU MD1 . . 4.310 3.043 2.452 3.760 . 0 0 "[ . 1 . 2]" 1
855 1 52 GLU HA 1 99 LYS QE . . 5.500 5.420 4.813 5.519 0.019 12 0 "[ . 1 . 2]" 1
856 1 99 LYS QE 1 99 LYS HG3 . . 3.530 2.901 2.106 3.549 0.019 14 0 "[ . 1 . 2]" 1
857 1 99 LYS HA 1 99 LYS QE . . 4.960 4.399 1.947 4.903 . 0 0 "[ . 1 . 2]" 1
858 1 52 GLU QG 1 99 LYS QE . . 4.510 3.911 3.052 4.507 . 0 0 "[ . 1 . 2]" 1
859 1 52 GLU HB3 1 99 LYS QE . . 4.480 3.420 2.518 4.284 . 0 0 "[ . 1 . 2]" 1
860 1 99 LYS QE 1 99 LYS HG2 . . 3.530 2.817 2.219 3.494 . 0 0 "[ . 1 . 2]" 1
861 1 20 LEU HB2 1 21 PRO HD2 . . 4.470 4.310 4.189 4.418 . 0 0 "[ . 1 . 2]" 1
862 1 20 LEU HB2 1 20 LEU MD2 . . 3.600 2.329 2.250 2.370 . 0 0 "[ . 1 . 2]" 1
863 1 20 LEU HB3 1 21 PRO HD2 . . 4.470 4.250 3.974 4.406 . 0 0 "[ . 1 . 2]" 1
864 1 20 LEU HB3 1 20 LEU MD2 . . 3.600 3.185 3.175 3.194 . 0 0 "[ . 1 . 2]" 1
865 1 33 ASP HA 1 85 LEU HB2 . . 4.340 2.455 2.225 2.660 . 0 0 "[ . 1 . 2]" 1
866 1 33 ASP HA 1 85 LEU HB3 . . 4.340 4.173 3.946 4.340 . 0 0 "[ . 1 . 2]" 1
867 1 55 LEU HA 1 56 TYR HB2 . . 4.950 4.335 4.307 4.389 . 0 0 "[ . 1 . 2]" 1
868 1 56 TYR HB2 1 58 VAL MG2 . . 5.500 4.652 4.473 4.829 . 0 0 "[ . 1 . 2]" 1
869 1 56 TYR HB3 1 58 VAL MG2 . . 4.740 3.729 3.589 3.910 . 0 0 "[ . 1 . 2]" 1
870 1 56 TYR HB3 1 96 MET H . . 5.500 4.127 3.902 4.325 . 0 0 "[ . 1 . 2]" 1
871 1 59 ARG HB2 1 70 TYR HB3 . . 4.490 3.361 3.130 3.512 . 0 0 "[ . 1 . 2]" 1
872 1 59 ARG HB2 1 70 TYR HB2 . . 5.390 5.099 4.786 5.269 . 0 0 "[ . 1 . 2]" 1
873 1 69 LYS HA 1 70 TYR HB2 . . 4.910 4.274 4.217 4.351 . 0 0 "[ . 1 . 2]" 1
874 1 78 LEU H 1 78 LEU HB2 . . 3.880 2.470 2.342 2.571 . 0 0 "[ . 1 . 2]" 1
875 1 89 THR HB 1 114 THR HG1 . . 4.370 3.983 3.668 4.382 0.012 10 0 "[ . 1 . 2]" 1
876 1 86 LYS QB 1 89 THR HB . . 3.960 2.220 1.993 2.522 . 0 0 "[ . 1 . 2]" 1
877 1 89 THR HB 1 114 THR MG . . 4.640 4.499 4.247 4.645 0.005 7 0 "[ . 1 . 2]" 1
878 1 62 THR MG 1 89 THR HB . . 4.540 4.401 4.039 4.571 0.031 13 0 "[ . 1 . 2]" 1
879 1 88 ASN HB2 1 89 THR H . . 4.730 4.469 4.291 4.540 . 0 0 "[ . 1 . 2]" 1
880 1 88 ASN H 1 88 ASN HB2 . . 3.980 3.587 2.890 4.035 0.055 19 0 "[ . 1 . 2]" 1
881 1 88 ASN HB2 1 116 GLU HA . . 4.520 3.287 2.260 4.018 . 0 0 "[ . 1 . 2]" 1
882 1 88 ASN HB3 1 116 GLU HA . . 4.520 3.026 1.997 4.439 . 0 0 "[ . 1 . 2]" 1
883 1 115 TYR HB2 1 116 GLU H . . 4.080 3.892 3.643 4.084 0.004 14 0 "[ . 1 . 2]" 1
884 1 32 HIS HA 1 115 TYR HB2 . . 4.360 3.111 2.833 3.385 . 0 0 "[ . 1 . 2]" 1
885 1 55 LEU HB3 1 98 THR HB . . 3.600 2.831 2.431 2.945 . 0 0 "[ . 1 . 2]" 1
886 1 98 THR HB 1 99 LYS H . . 4.520 4.456 4.353 4.499 . 0 0 "[ . 1 . 2]" 1
887 1 23 VAL MG1 1 42 ASN HB3 . . 4.880 3.837 2.922 4.513 . 0 0 "[ . 1 . 2]" 1
888 1 20 LEU MD1 1 42 ASN HB2 . . 4.610 4.104 3.322 4.613 0.003 6 0 "[ . 1 . 2]" 1
889 1 41 ASP HA 1 42 ASN HB2 . . 4.680 4.335 4.204 4.609 . 0 0 "[ . 1 . 2]" 1
890 1 23 VAL MG1 1 42 ASN HB2 . . 4.630 2.848 2.058 3.405 . 0 0 "[ . 1 . 2]" 1
891 1 83 THR HB 1 84 GLY HA3 . . 4.580 4.294 4.172 4.359 . 0 0 "[ . 1 . 2]" 1
892 1 34 ALA HA 1 83 THR HB . . 5.000 4.662 4.360 4.887 . 0 0 "[ . 1 . 2]" 1
893 1 83 THR HB 1 84 GLY HA2 . . 4.580 4.416 4.327 4.507 . 0 0 "[ . 1 . 2]" 1
894 1 81 THR MG 1 83 THR HB . . 4.750 4.660 4.549 4.762 0.012 2 0 "[ . 1 . 2]" 1
895 1 109 THR HB 1 110 ALA H . . 4.270 4.030 3.778 4.238 . 0 0 "[ . 1 . 2]" 1
896 1 109 THR H 1 109 THR HB . . 3.320 2.449 2.303 2.669 . 0 0 "[ . 1 . 2]" 1
897 1 109 THR HB 1 110 ALA MB . . 5.500 5.415 5.248 5.543 0.043 2 0 "[ . 1 . 2]" 1
898 1 108 MET ME 1 109 THR HB . . 5.500 5.439 5.218 5.570 0.070 20 0 "[ . 1 . 2]" 1
899 1 57 THR HB 1 96 MET H . . 4.310 3.831 3.569 4.054 . 0 0 "[ . 1 . 2]" 1
900 1 57 THR HB 1 106 TRP HH2 . . 4.340 2.823 2.347 3.146 . 0 0 "[ . 1 . 2]" 1
901 1 57 THR HB 1 96 MET ME . . 4.060 3.636 3.253 3.942 . 0 0 "[ . 1 . 2]" 1
902 1 57 THR HB 1 96 MET HG3 . . 3.400 2.233 1.997 2.545 . 0 0 "[ . 1 . 2]" 1
903 1 57 THR HB 1 96 MET HB2 . . 5.100 4.693 4.481 4.869 . 0 0 "[ . 1 . 2]" 1
904 1 57 THR HB 1 96 MET HB3 . . 4.760 4.716 4.541 4.779 0.019 13 0 "[ . 1 . 2]" 1
905 1 34 ALA HA 1 35 VAL HB . . 4.580 4.306 4.249 4.365 . 0 0 "[ . 1 . 2]" 1
906 1 50 THR HA 1 50 THR HB . . 2.770 2.633 2.382 3.024 0.254 9 0 "[ . 1 . 2]" 1
907 1 88 ASN HA 1 113 THR HB . . 5.500 5.425 5.271 5.506 0.006 8 0 "[ . 1 . 2]" 1
908 1 90 MET ME 1 113 THR HB . . 5.500 5.493 5.346 5.563 0.063 20 0 "[ . 1 . 2]" 1
909 1 90 MET HA 1 113 THR HB . . 5.500 5.113 5.009 5.240 . 0 0 "[ . 1 . 2]" 1
910 1 100 ASN HB2 1 101 ARG H . . 4.660 4.413 4.144 4.606 . 0 0 "[ . 1 . 2]" 1
911 1 100 ASN HB2 1 102 ARG H . . 5.190 4.421 3.729 4.907 . 0 0 "[ . 1 . 2]" 1
912 1 100 ASN HB3 1 102 ARG H . . 5.190 4.143 3.575 4.822 . 0 0 "[ . 1 . 2]" 1
913 1 35 VAL HB 1 36 ARG H . . 4.920 4.443 4.404 4.478 . 0 0 "[ . 1 . 2]" 1
914 1 30 LEU H 1 35 VAL HB . . 4.940 4.939 4.880 4.970 0.030 3 0 "[ . 1 . 2]" 1
915 1 35 VAL HB 1 85 LEU MD1 . . 3.550 2.294 2.170 2.449 . 0 0 "[ . 1 . 2]" 1
916 1 17 THR HB 1 18 PRO HD2 . . 3.660 2.122 2.005 2.239 . 0 0 "[ . 1 . 2]" 1
917 1 60 TRP HZ3 1 73 GLU HG2 . . 5.500 4.203 3.094 5.335 . 0 0 "[ . 1 . 2]" 1
918 1 73 GLU HG2 1 80 TYR QD . . 5.500 5.247 4.040 5.606 0.106 20 0 "[ . 1 . 2]" 1
919 1 73 GLU HG2 1 80 TYR QE . . 4.410 3.463 2.166 4.063 . 0 0 "[ . 1 . 2]" 1
920 1 73 GLU HA 1 73 GLU HG2 . . 3.750 3.092 2.337 3.871 0.121 11 0 "[ . 1 . 2]" 1
921 1 73 GLU H 1 73 GLU HG2 . . 5.220 4.039 2.924 5.101 . 0 0 "[ . 1 . 2]" 1
922 1 60 TRP HH2 1 73 GLU HG3 . . 4.480 3.341 2.216 4.514 0.034 11 0 "[ . 1 . 2]" 1
923 1 60 TRP HZ3 1 73 GLU HG3 . . 5.500 4.728 3.987 5.364 . 0 0 "[ . 1 . 2]" 1
924 1 73 GLU HG3 1 80 TYR QD . . 5.500 4.491 3.566 5.515 0.015 18 0 "[ . 1 . 2]" 1
925 1 73 GLU HA 1 73 GLU HG3 . . 3.750 3.469 2.416 3.758 0.008 20 0 "[ . 1 . 2]" 1
926 1 116 GLU HG3 1 117 ALA H . . 4.100 3.946 3.512 4.118 0.018 11 0 "[ . 1 . 2]" 1
927 1 116 GLU H 1 116 GLU HG3 . . 4.200 4.166 4.126 4.213 0.013 20 0 "[ . 1 . 2]" 1
928 1 88 ASN HA 1 116 GLU HG3 . . 4.620 4.181 3.910 4.444 . 0 0 "[ . 1 . 2]" 1
929 1 116 GLU HA 1 116 GLU HG3 . . 3.800 2.503 2.367 2.803 . 0 0 "[ . 1 . 2]" 1
930 1 116 GLU HG3 1 117 ALA MB . . 5.280 5.110 4.914 5.291 0.011 19 0 "[ . 1 . 2]" 1
931 1 116 GLU HG2 1 117 ALA H . . 4.110 3.276 2.703 3.538 . 0 0 "[ . 1 . 2]" 1
932 1 88 ASN HD21 1 116 GLU HG2 . . 5.120 3.798 3.000 5.040 . 0 0 "[ . 1 . 2]" 1
933 1 116 GLU HA 1 116 GLU HG2 . . 3.470 2.706 2.424 2.848 . 0 0 "[ . 1 . 2]" 1
934 1 116 GLU H 1 116 GLU HG2 . . 4.550 4.518 4.398 4.563 0.013 4 0 "[ . 1 . 2]" 1
935 1 88 ASN HD21 1 116 GLU HG3 . . 4.950 3.040 1.905 4.670 . 0 0 "[ . 1 . 2]" 1
936 1 88 ASN HD22 1 116 GLU HG3 . . 4.950 4.049 2.711 4.955 0.005 11 0 "[ . 1 . 2]" 1
937 1 88 ASN HD22 1 116 GLU HG2 . . 5.120 4.791 4.377 5.128 0.008 17 0 "[ . 1 . 2]" 1
938 1 116 GLU HG2 1 117 ALA MB . . 4.410 4.183 3.890 4.338 . 0 0 "[ . 1 . 2]" 1
939 1 92 GLU HG2 1 111 HIS HE1 . . 5.500 4.539 1.984 5.519 0.019 12 0 "[ . 1 . 2]" 1
940 1 95 VAL H 1 95 VAL HB . . 3.930 2.847 2.665 2.986 . 0 0 "[ . 1 . 2]" 1
941 1 95 VAL HB 1 96 MET H . . 4.650 3.787 3.587 4.030 . 0 0 "[ . 1 . 2]" 1
942 1 94 SER HA 1 95 VAL HB . . 5.160 4.604 4.469 4.772 . 0 0 "[ . 1 . 2]" 1
943 1 95 VAL HB 1 96 MET HA . . 5.500 4.512 4.356 4.648 . 0 0 "[ . 1 . 2]" 1
944 1 22 PRO HD2 1 95 VAL HB . . 4.840 4.036 3.607 4.435 . 0 0 "[ . 1 . 2]" 1
945 1 62 THR HB 1 86 LYS QE . . 5.500 5.367 4.906 5.532 0.032 4 0 "[ . 1 . 2]" 1
946 1 62 THR HB 1 89 THR MG . . 4.090 4.007 3.724 4.118 0.028 3 0 "[ . 1 . 2]" 1
947 1 62 THR H 1 62 THR HB . . 3.900 3.614 3.554 3.659 . 0 0 "[ . 1 . 2]" 1
948 1 62 THR HB 1 63 SER H . . 4.190 3.186 2.844 3.524 . 0 0 "[ . 1 . 2]" 1
949 1 62 THR HB 1 65 SER HB2 . . 4.610 2.198 1.949 3.388 . 0 0 "[ . 1 . 2]" 1
950 1 62 THR HB 1 65 SER HB3 . . 4.610 3.050 1.968 3.526 . 0 0 "[ . 1 . 2]" 1
951 1 80 TYR HA 1 81 THR HB . . 4.930 4.809 4.686 4.903 . 0 0 "[ . 1 . 2]" 1
952 1 92 GLU HG3 1 111 HIS HE1 . . 5.500 4.093 2.005 5.292 . 0 0 "[ . 1 . 2]" 1
953 1 92 GLU HG3 1 109 THR MG . . 3.940 2.210 1.767 3.493 . 0 0 "[ . 1 . 2]" 1
954 1 56 TYR QE 1 97 VAL HB . . 3.800 3.402 2.990 3.645 . 0 0 "[ . 1 . 2]" 1
955 1 81 THR HB 1 82 ALA H . . 4.470 4.265 4.032 4.408 . 0 0 "[ . 1 . 2]" 1
956 1 96 MET HB2 1 104 SER HG . . 4.270 3.395 2.961 3.838 . 0 0 "[ . 1 . 2]" 1
957 1 96 MET HB3 1 104 SER HG . . 4.640 4.349 3.644 4.675 0.035 16 0 "[ . 1 . 2]" 1
958 1 23 VAL HB 1 24 GLY H . . 3.170 2.067 1.921 3.149 . 0 0 "[ . 1 . 2]" 1
959 1 23 VAL HB 1 25 VAL H . . 5.060 4.622 4.395 4.976 . 0 0 "[ . 1 . 2]" 1
960 1 28 VAL HB 1 36 ARG H . . 4.210 3.196 3.023 3.405 . 0 0 "[ . 1 . 2]" 1
961 1 28 VAL H 1 28 VAL HB . . 3.230 2.604 2.483 2.728 . 0 0 "[ . 1 . 2]" 1
962 1 27 ALA HA 1 28 VAL HB . . 4.890 4.783 4.660 4.893 0.003 5 0 "[ . 1 . 2]" 1
963 1 28 VAL HB 1 29 ALA HA . . 5.270 4.847 4.769 4.938 . 0 0 "[ . 1 . 2]" 1
964 1 28 VAL HB 1 35 VAL HA . . 5.500 4.959 4.802 5.204 . 0 0 "[ . 1 . 2]" 1
965 1 28 VAL HB 1 36 ARG QD . . 4.980 4.847 4.586 4.980 . 0 0 "[ . 1 . 2]" 1
966 1 28 VAL HB 1 36 ARG HB2 . . 4.380 3.995 3.804 4.235 . 0 0 "[ . 1 . 2]" 1
967 1 28 VAL HB 1 36 ARG HG2 . . 4.420 3.719 3.365 3.969 . 0 0 "[ . 1 . 2]" 1
968 1 28 VAL HB 1 36 ARG HG3 . . 4.420 3.316 2.988 3.478 . 0 0 "[ . 1 . 2]" 1
969 1 28 VAL HB 1 30 LEU MD2 . . 3.800 3.482 3.191 3.651 . 0 0 "[ . 1 . 2]" 1
970 1 28 VAL HB 1 35 VAL MG1 . . 4.510 4.336 4.214 4.482 . 0 0 "[ . 1 . 2]" 1
971 1 23 VAL HB 1 24 GLY HA2 . . 4.660 4.189 4.083 4.294 . 0 0 "[ . 1 . 2]" 1
972 1 19 MET QG 1 104 SER HB2 . . 4.490 3.320 2.460 3.806 . 0 0 "[ . 1 . 2]" 1
973 1 19 MET QG 1 104 SER HB3 . . 4.490 3.067 2.058 4.544 0.054 11 0 "[ . 1 . 2]" 1
974 1 60 TRP HB2 1 91 TYR QE . . 5.500 5.405 5.087 5.569 0.069 8 0 "[ . 1 . 2]" 1
975 1 110 ALA HA 1 111 HIS HB2 . . 4.660 4.353 4.304 4.445 . 0 0 "[ . 1 . 2]" 1
976 1 90 MET HB2 1 111 HIS HB3 . . 5.500 5.311 5.139 5.441 . 0 0 "[ . 1 . 2]" 1
977 1 60 TRP HB3 1 61 ARG H . . 4.150 4.083 3.829 4.238 0.088 2 0 "[ . 1 . 2]" 1
978 1 90 MET HB3 1 113 THR MG . . 4.520 3.211 2.958 3.426 . 0 0 "[ . 1 . 2]" 1
979 1 89 THR MG 1 90 MET HB3 . . 4.910 4.439 4.255 4.653 . 0 0 "[ . 1 . 2]" 1
980 1 19 MET HB3 1 104 SER HB2 . . 4.310 2.380 1.981 2.923 . 0 0 "[ . 1 . 2]" 1
981 1 72 SER HB2 1 106 TRP HH2 . . 4.910 4.306 3.296 4.941 0.031 19 0 "[ . 1 . 2]" 1
982 1 72 SER HB3 1 106 TRP HH2 . . 4.910 4.360 3.197 4.923 0.013 2 0 "[ . 1 . 2]" 1
983 1 57 THR MG 1 72 SER HB3 . . 3.950 3.461 2.381 3.906 . 0 0 "[ . 1 . 2]" 1
984 1 110 ALA MB 1 111 HIS HB2 . . 5.300 4.932 4.566 5.178 . 0 0 "[ . 1 . 2]" 1
985 1 90 MET HG3 1 111 HIS HB2 . . 5.500 5.115 4.573 5.522 0.022 18 0 "[ . 1 . 2]" 1
986 1 90 MET ME 1 111 HIS HB2 . . 4.720 4.261 3.699 4.653 . 0 0 "[ . 1 . 2]" 1
987 1 73 GLU H 1 73 GLU HB2 . . 4.070 2.829 2.490 3.980 . 0 0 "[ . 1 . 2]" 1
988 1 73 GLU H 1 73 GLU HB3 . . 4.070 3.487 2.843 3.841 . 0 0 "[ . 1 . 2]" 1
989 1 95 VAL H 1 107 SER HB3 . . 4.910 3.820 3.189 4.557 . 0 0 "[ . 1 . 2]" 1
990 1 107 SER HB3 1 108 MET H . . 4.180 3.479 3.056 3.667 . 0 0 "[ . 1 . 2]" 1
991 1 95 VAL H 1 107 SER HB2 . . 4.910 4.770 4.256 4.947 0.037 20 0 "[ . 1 . 2]" 1
992 1 107 SER HB2 1 108 MET H . . 4.180 2.904 1.959 3.710 . 0 0 "[ . 1 . 2]" 1
993 1 48 GLN H 1 48 GLN QG . . 5.110 3.526 1.913 4.430 . 0 0 "[ . 1 . 2]" 1
994 1 48 GLN HA 1 48 GLN QG . . 3.570 2.644 2.221 3.560 . 0 0 "[ . 1 . 2]" 1
995 1 26 GLN H 1 26 GLN HG2 . . 4.860 4.467 4.288 4.726 . 0 0 "[ . 1 . 2]" 1
996 1 26 GLN HG2 1 27 ALA H . . 4.480 3.229 2.135 4.491 0.011 12 0 "[ . 1 . 2]" 1
997 1 26 GLN HA 1 26 GLN HG2 . . 3.950 3.374 2.823 3.874 . 0 0 "[ . 1 . 2]" 1
998 1 26 GLN HG2 1 28 VAL QG . . 4.000 2.342 1.937 2.824 . 0 0 "[ . 1 . 2]" 1
999 1 26 GLN HA 1 26 GLN HG3 . . 3.950 2.739 2.455 3.734 . 0 0 "[ . 1 . 2]" 1
1000 1 26 GLN H 1 26 GLN HG3 . . 4.860 4.575 4.241 4.830 . 0 0 "[ . 1 . 2]" 1
1001 1 57 THR HA 1 58 VAL HB . . 4.750 4.660 4.522 4.738 . 0 0 "[ . 1 . 2]" 1
1002 1 70 TYR HA 1 71 LYS HB2 . . 4.900 4.269 4.159 4.383 . 0 0 "[ . 1 . 2]" 1
1003 1 71 LYS HB2 1 72 SER H . . 4.200 4.008 3.750 4.237 0.037 11 0 "[ . 1 . 2]" 1
1004 1 98 THR HA 1 103 SER HB2 . . 5.050 4.399 3.843 5.001 . 0 0 "[ . 1 . 2]" 1
1005 1 98 THR HA 1 103 SER HB3 . . 5.050 4.125 3.636 4.487 . 0 0 "[ . 1 . 2]" 1
1006 1 96 MET ME 1 103 SER HB3 . . 3.320 2.622 1.896 3.312 . 0 0 "[ . 1 . 2]" 1
1007 1 37 VAL H 1 37 VAL HB . . 3.730 2.546 2.491 2.607 . 0 0 "[ . 1 . 2]" 1
1008 1 37 VAL HB 1 39 TRP HE3 . . 4.500 4.072 3.865 4.377 . 0 0 "[ . 1 . 2]" 1
1009 1 37 VAL HB 1 80 TYR QD . . 4.750 3.643 3.293 4.008 . 0 0 "[ . 1 . 2]" 1
1010 1 37 VAL HB 1 39 TRP HZ3 . . 3.570 2.988 2.684 3.286 . 0 0 "[ . 1 . 2]" 1
1011 1 36 ARG HA 1 37 VAL HB . . 5.300 4.705 4.670 4.766 . 0 0 "[ . 1 . 2]" 1
1012 1 86 LYS HA 1 87 PRO HB3 . . 5.500 4.837 4.832 4.847 . 0 0 "[ . 1 . 2]" 1
1013 1 87 PRO HB3 1 114 THR HB . . 5.500 4.877 4.680 5.010 . 0 0 "[ . 1 . 2]" 1
1014 1 58 VAL H 1 58 VAL HB . . 3.500 2.823 2.692 2.922 . 0 0 "[ . 1 . 2]" 1
1015 1 58 VAL HB 1 60 TRP HZ3 . . 3.830 2.458 1.995 2.901 . 0 0 "[ . 1 . 2]" 1
1016 1 59 ARG HB2 1 60 TRP H . . 4.820 2.802 2.478 3.095 . 0 0 "[ . 1 . 2]" 1
1017 1 59 ARG HB3 1 106 TRP HH2 . . 4.500 2.645 2.181 3.012 . 0 0 "[ . 1 . 2]" 1
1018 1 59 ARG HB3 1 70 TYR HB3 . . 4.830 4.802 4.610 4.883 0.053 11 0 "[ . 1 . 2]" 1
1019 1 38 SER H 1 38 SER HB2 . . 4.180 3.460 2.614 3.800 . 0 0 "[ . 1 . 2]" 1
1020 1 38 SER HB2 1 79 SER HA . . 4.510 4.037 3.185 4.542 0.032 6 0 "[ . 1 . 2]" 1
1021 1 87 PRO HB2 1 88 ASN H . . 3.850 3.023 2.799 3.342 . 0 0 "[ . 1 . 2]" 1
1022 1 87 PRO HB2 1 114 THR HG1 . . 5.420 4.595 4.290 4.903 . 0 0 "[ . 1 . 2]" 1
1023 1 87 PRO HB2 1 88 ASN HA . . 5.010 4.734 4.618 4.919 . 0 0 "[ . 1 . 2]" 1
1024 1 32 HIS HB2 1 87 PRO HB2 . . 3.710 3.423 3.291 3.579 . 0 0 "[ . 1 . 2]" 1
1025 1 32 HIS HA 1 87 PRO HB2 . . 5.030 5.000 4.918 5.059 0.029 6 0 "[ . 1 . 2]" 1
1026 1 86 LYS HA 1 87 PRO HB2 . . 5.500 5.482 5.465 5.498 . 0 0 "[ . 1 . 2]" 1
1027 1 87 PRO HB2 1 114 THR HB . . 5.500 5.454 5.351 5.517 0.017 8 0 "[ . 1 . 2]" 1
1028 1 87 PRO HB2 1 116 GLU HA . . 3.970 3.340 3.058 3.609 . 0 0 "[ . 1 . 2]" 1
1029 1 87 PRO HB2 1 117 ALA HA . . 4.740 4.133 3.768 4.432 . 0 0 "[ . 1 . 2]" 1
1030 1 87 PRO HB3 1 114 THR HG1 . . 4.720 4.411 4.255 4.639 . 0 0 "[ . 1 . 2]" 1
1031 1 32 HIS HB2 1 87 PRO HB3 . . 4.150 2.013 1.985 2.087 . 0 0 "[ . 1 . 2]" 1
1032 1 87 PRO HB3 1 88 ASN H . . 4.030 3.680 3.552 3.874 . 0 0 "[ . 1 . 2]" 1
1033 1 87 PRO HB3 1 117 ALA MB . . 3.580 2.141 1.970 2.324 . 0 0 "[ . 1 . 2]" 1
1034 1 69 LYS H 1 69 LYS HB2 . . 3.950 3.113 2.247 3.806 . 0 0 "[ . 1 . 2]" 1
1035 1 38 SER HB3 1 79 SER HA . . 4.510 4.053 3.657 4.544 0.034 13 0 "[ . 1 . 2]" 1
1036 1 38 SER HB3 1 79 SER HB2 . . 4.620 3.708 3.060 4.563 . 0 0 "[ . 1 . 2]" 1
1037 1 38 SER HB3 1 79 SER HB3 . . 4.590 3.535 2.861 4.509 . 0 0 "[ . 1 . 2]" 1
1038 1 22 PRO HB2 1 95 VAL HB . . 4.420 3.490 3.064 3.634 . 0 0 "[ . 1 . 2]" 1
1039 1 22 PRO HB2 1 39 TRP HB3 . . 4.600 4.163 3.918 4.311 . 0 0 "[ . 1 . 2]" 1
1040 1 22 PRO HB2 1 39 TRP HB2 . . 4.290 2.961 2.578 3.094 . 0 0 "[ . 1 . 2]" 1
1041 1 22 PRO HB2 1 95 VAL MG1 . . 4.380 3.619 2.868 3.824 . 0 0 "[ . 1 . 2]" 1
1042 1 108 MET H 1 108 MET HB3 . . 3.560 2.588 2.534 2.651 . 0 0 "[ . 1 . 2]" 1
1043 1 107 SER HA 1 108 MET HB3 . . 5.010 4.961 4.880 5.015 0.005 19 0 "[ . 1 . 2]" 1
1044 1 26 GLN HB2 1 27 ALA H . . 4.210 4.053 3.790 4.224 0.014 8 0 "[ . 1 . 2]" 1
1045 1 85 LEU HA 1 86 LYS QB . . 4.480 4.139 4.089 4.192 . 0 0 "[ . 1 . 2]" 1
1046 1 86 LYS QB 1 87 PRO HD2 . . 3.600 3.461 3.371 3.552 . 0 0 "[ . 1 . 2]" 1
1047 1 26 GLN H 1 26 GLN HB3 . . 3.760 2.550 2.453 2.736 . 0 0 "[ . 1 . 2]" 1
1048 1 22 PRO HB3 1 39 TRP HB2 . . 4.550 4.225 3.216 4.426 . 0 0 "[ . 1 . 2]" 1
1049 1 22 PRO HB3 1 95 VAL HB . . 4.260 4.074 3.709 4.257 . 0 0 "[ . 1 . 2]" 1
1050 1 61 ARG HB2 1 61 ARG HE . . 5.100 3.955 1.880 4.500 . 0 0 "[ . 1 . 2]" 1
1051 1 61 ARG HB2 1 70 TYR HA . . 4.570 2.666 1.977 3.502 . 0 0 "[ . 1 . 2]" 1
1052 1 61 ARG HB3 1 61 ARG HE . . 5.100 3.614 1.857 4.987 . 0 0 "[ . 1 . 2]" 1
1053 1 94 SER HB2 1 107 SER H . . 5.500 4.934 3.269 5.517 0.017 10 0 "[ . 1 . 2]" 1
1054 1 94 SER HB2 1 106 TRP HE3 . . 4.680 3.634 2.703 4.140 . 0 0 "[ . 1 . 2]" 1
1055 1 94 SER HB2 1 106 TRP HB3 . . 4.920 3.335 1.992 4.053 . 0 0 "[ . 1 . 2]" 1
1056 1 94 SER HB3 1 106 TRP HB3 . . 4.920 2.850 1.992 3.727 . 0 0 "[ . 1 . 2]" 1
1057 1 94 SER HB3 1 107 SER H . . 5.500 4.564 3.386 5.518 0.018 14 0 "[ . 1 . 2]" 1
1058 1 39 TRP HZ3 1 79 SER HB2 . . 5.340 5.139 4.493 5.301 . 0 0 "[ . 1 . 2]" 1
1059 1 38 SER HB2 1 79 SER HB2 . . 4.620 3.913 2.681 4.566 . 0 0 "[ . 1 . 2]" 1
1060 1 36 ARG HG2 1 79 SER HB2 . . 4.770 4.340 4.034 4.535 . 0 0 "[ . 1 . 2]" 1
1061 1 39 TRP H 1 79 SER HB2 . . 5.500 5.295 4.851 5.506 0.006 6 0 "[ . 1 . 2]" 1
1062 1 79 SER H 1 79 SER HB2 . . 4.040 3.970 3.912 4.011 . 0 0 "[ . 1 . 2]" 1
1063 1 79 SER HB3 1 80 TYR H . . 4.320 4.184 3.960 4.348 0.028 13 0 "[ . 1 . 2]" 1
1064 1 39 TRP H 1 79 SER HB3 . . 4.710 4.259 3.765 4.600 . 0 0 "[ . 1 . 2]" 1
1065 1 79 SER H 1 79 SER HB3 . . 3.970 3.395 3.058 3.538 . 0 0 "[ . 1 . 2]" 1
1066 1 39 TRP HZ3 1 79 SER HB3 . . 5.500 5.331 4.782 5.508 0.008 11 0 "[ . 1 . 2]" 1
1067 1 38 SER HB2 1 79 SER HB3 . . 4.590 3.345 2.215 4.348 . 0 0 "[ . 1 . 2]" 1
1068 1 36 ARG QD 1 79 SER HB3 . . 4.270 3.634 3.305 4.277 0.007 5 0 "[ . 1 . 2]" 1
1069 1 108 MET HB3 1 109 THR H . . 4.120 4.019 3.826 4.170 0.050 16 0 "[ . 1 . 2]" 1
1070 1 108 MET H 1 108 MET HB2 . . 3.730 3.601 3.586 3.623 . 0 0 "[ . 1 . 2]" 1
1071 1 107 SER HG 1 108 MET HB2 . . 5.500 4.984 4.316 5.509 0.009 11 0 "[ . 1 . 2]" 1
1072 1 52 GLU HA 1 53 VAL HB . . 5.270 4.547 4.192 4.874 . 0 0 "[ . 1 . 2]" 1
1073 1 53 VAL HB 1 54 ARG HA . . 5.500 5.229 4.451 5.671 0.171 18 0 "[ . 1 . 2]" 1
1074 1 86 LYS QB 1 86 LYS QE . . 4.550 2.426 1.969 3.346 . 0 0 "[ . 1 . 2]" 1
1075 1 46 LYS QB 1 47 ASN QB . . 4.540 3.955 3.402 4.620 0.080 6 0 "[ . 1 . 2]" 1
1076 1 44 VAL H 1 44 VAL HB . . 3.370 3.036 2.537 3.624 0.254 15 0 "[ . 1 . 2]" 1
1077 1 12 VAL HB 1 13 PRO HD2 . . 4.690 3.017 2.062 4.831 0.141 18 0 "[ . 1 . 2]" 1
1078 1 12 VAL HB 1 13 PRO HD3 . . 4.690 4.174 3.505 4.821 0.131 20 0 "[ . 1 . 2]" 1
1079 1 44 VAL HB 1 45 PRO HD3 . . 5.090 4.776 3.686 5.114 0.024 11 0 "[ . 1 . 2]" 1
1080 1 44 VAL HB 1 45 PRO HD2 . . 5.090 4.000 2.274 4.793 . 0 0 "[ . 1 . 2]" 1
1081 1 19 MET HB3 1 104 SER HA . . 4.210 3.993 3.358 4.224 0.014 20 0 "[ . 1 . 2]" 1
1082 1 19 MET HB3 1 20 LEU H . . 3.740 2.443 1.933 3.056 . 0 0 "[ . 1 . 2]" 1
1083 1 19 MET HB3 1 104 SER HB3 . . 4.310 2.482 1.996 3.622 . 0 0 "[ . 1 . 2]" 1
1084 1 19 MET HB2 1 104 SER HB2 . . 4.750 2.245 1.995 2.807 . 0 0 "[ . 1 . 2]" 1
1085 1 19 MET HB2 1 104 SER H . . 5.060 4.797 4.250 5.073 0.013 2 0 "[ . 1 . 2]" 1
1086 1 19 MET HB2 1 104 SER HA . . 3.950 3.059 2.184 3.503 . 0 0 "[ . 1 . 2]" 1
1087 1 19 MET HB2 1 104 SER HB3 . . 4.750 2.858 1.997 4.432 . 0 0 "[ . 1 . 2]" 1
1088 1 99 LYS H 1 102 ARG QB . . 5.300 5.165 4.576 5.302 0.002 1 0 "[ . 1 . 2]" 1
1089 1 98 THR MG 1 102 ARG QB . . 4.470 4.454 4.225 4.500 0.030 8 0 "[ . 1 . 2]" 1
1090 1 35 VAL HA 1 36 ARG HB3 . . 4.680 4.459 4.355 4.531 . 0 0 "[ . 1 . 2]" 1
1091 1 30 LEU H 1 36 ARG HB3 . . 5.500 4.608 4.488 4.877 . 0 0 "[ . 1 . 2]" 1
1092 1 30 LEU MD2 1 36 ARG HB3 . . 3.540 2.227 1.993 2.482 . 0 0 "[ . 1 . 2]" 1
1093 1 28 VAL QG 1 36 ARG HB3 . . 4.210 2.885 2.763 3.033 . 0 0 "[ . 1 . 2]" 1
1094 1 54 ARG H 1 54 ARG HB2 . . 4.140 3.569 2.861 4.031 . 0 0 "[ . 1 . 2]" 1
1095 1 54 ARG HB2 1 56 TYR QE . . 4.730 2.999 2.379 3.562 . 0 0 "[ . 1 . 2]" 1
1096 1 54 ARG HB2 1 54 ARG QD . . 3.780 2.461 2.138 3.383 . 0 0 "[ . 1 . 2]" 1
1097 1 28 VAL QG 1 36 ARG HB2 . . 4.370 4.130 3.990 4.272 . 0 0 "[ . 1 . 2]" 1
1098 1 30 LEU MD1 1 36 ARG HB2 . . 3.690 2.034 1.943 2.306 . 0 0 "[ . 1 . 2]" 1
1099 1 30 LEU MD2 1 36 ARG HB2 . . 4.030 2.214 1.981 2.616 . 0 0 "[ . 1 . 2]" 1
1100 1 35 VAL HA 1 36 ARG HB2 . . 4.840 4.754 4.685 4.858 0.018 6 0 "[ . 1 . 2]" 1
1101 1 35 VAL MG1 1 36 ARG HB2 . . 5.310 5.039 4.951 5.099 . 0 0 "[ . 1 . 2]" 1
1102 1 54 ARG HB3 1 56 TYR QE . . 4.730 4.192 2.795 4.643 . 0 0 "[ . 1 . 2]" 1
1103 1 54 ARG H 1 54 ARG HB3 . . 4.140 3.601 2.931 3.935 . 0 0 "[ . 1 . 2]" 1
1104 1 76 THR H 1 77 SER QB . . 4.630 4.315 4.100 4.621 . 0 0 "[ . 1 . 2]" 1
1105 1 77 SER QB 1 78 LEU H . . 3.040 2.320 2.070 2.638 . 0 0 "[ . 1 . 2]" 1
1106 1 77 SER QB 1 78 LEU HA . . 4.500 4.297 4.203 4.435 . 0 0 "[ . 1 . 2]" 1
1107 1 77 SER QB 1 78 LEU HG . . 4.920 4.613 4.335 4.946 0.026 11 0 "[ . 1 . 2]" 1
1108 1 108 MET H 1 108 MET HG2 . . 3.760 2.442 2.066 3.430 . 0 0 "[ . 1 . 2]" 1
1109 1 25 VAL H 1 108 MET HG2 . . 4.620 3.632 2.972 4.161 . 0 0 "[ . 1 . 2]" 1
1110 1 108 MET HA 1 108 MET HG2 . . 4.230 3.879 3.749 4.237 0.007 12 0 "[ . 1 . 2]" 1
1111 1 25 VAL MG1 1 108 MET HG2 . . 5.460 5.263 4.815 5.494 0.034 8 0 "[ . 1 . 2]" 1
1112 1 25 VAL MG2 1 108 MET HG2 . . 5.460 3.166 2.465 3.598 . 0 0 "[ . 1 . 2]" 1
1113 1 108 MET H 1 108 MET HG3 . . 3.760 2.807 2.077 3.163 . 0 0 "[ . 1 . 2]" 1
1114 1 25 VAL H 1 108 MET HG3 . . 4.620 3.087 2.521 3.641 . 0 0 "[ . 1 . 2]" 1
1115 1 108 MET HA 1 108 MET HG3 . . 4.230 3.667 3.611 3.732 . 0 0 "[ . 1 . 2]" 1
1116 1 25 VAL MG1 1 108 MET HG3 . . 5.460 4.051 3.727 4.588 . 0 0 "[ . 1 . 2]" 1
1117 1 25 VAL MG2 1 108 MET HG3 . . 5.460 2.335 1.952 2.805 . 0 0 "[ . 1 . 2]" 1
1118 1 19 MET QG 1 97 VAL MG1 . . 5.490 4.004 3.539 4.426 . 0 0 "[ . 1 . 2]" 1
1119 1 19 MET QG 1 97 VAL MG2 . . 5.490 4.855 4.247 5.469 . 0 0 "[ . 1 . 2]" 1
1120 1 19 MET QG 1 98 THR HA . . 5.250 4.655 4.021 5.259 0.009 12 0 "[ . 1 . 2]" 1
1121 1 43 SER H 1 43 SER HB2 . . 4.160 3.041 2.213 3.755 . 0 0 "[ . 1 . 2]" 1
1122 1 43 SER HB2 1 44 VAL H . . 4.770 4.221 3.692 4.538 . 0 0 "[ . 1 . 2]" 1
1123 1 43 SER HB3 1 44 VAL H . . 4.770 3.967 2.686 4.655 . 0 0 "[ . 1 . 2]" 1
1124 1 15 LEU QB 1 16 SER QB . . 5.390 4.418 3.234 5.298 . 0 0 "[ . 1 . 2]" 1
1125 1 16 SER QB 1 17 THR H . . 4.210 3.166 2.163 4.061 . 0 0 "[ . 1 . 2]" 1
1126 1 16 SER QB 1 17 THR MG . . 4.410 3.860 2.833 4.408 . 0 0 "[ . 1 . 2]" 1
1127 1 117 ALA MB 1 118 SER HB2 . . 5.170 4.332 3.349 5.038 . 0 0 "[ . 1 . 2]" 1
1128 1 117 ALA MB 1 118 SER HB3 . . 5.170 4.517 3.301 5.154 . 0 0 "[ . 1 . 2]" 1
1129 1 90 MET HG2 1 113 THR HA . . 4.940 3.596 2.631 4.242 . 0 0 "[ . 1 . 2]" 1
1130 1 90 MET HG3 1 91 TYR H . . 4.020 3.072 2.385 3.868 . 0 0 "[ . 1 . 2]" 1
1131 1 90 MET HG3 1 112 ALA H . . 4.620 2.386 1.903 2.911 . 0 0 "[ . 1 . 2]" 1
1132 1 90 MET HG3 1 111 HIS HA . . 5.070 3.981 3.760 4.698 . 0 0 "[ . 1 . 2]" 1
1133 1 90 MET HG3 1 113 THR HA . . 4.400 2.982 2.550 3.407 . 0 0 "[ . 1 . 2]" 1
1134 1 90 MET HG3 1 111 HIS HB3 . . 4.160 3.454 2.909 3.927 . 0 0 "[ . 1 . 2]" 1
1135 1 90 MET ME 1 90 MET HG3 . . 3.400 2.950 2.393 3.400 . 0 0 "[ . 1 . 2]" 1
1136 1 90 MET HA 1 90 MET HG3 . . 3.760 3.061 2.597 3.579 . 0 0 "[ . 1 . 2]" 1
1137 1 52 GLU HB2 1 99 LYS QE . . 4.480 3.414 2.679 4.497 0.017 13 0 "[ . 1 . 2]" 1
1138 1 25 VAL HB 1 26 GLN H . . 4.660 4.261 4.075 4.454 . 0 0 "[ . 1 . 2]" 1
1139 1 52 GLU HB2 1 53 VAL H . . 4.390 4.191 3.118 4.419 0.029 20 0 "[ . 1 . 2]" 1
1140 1 16 SER HA 1 16 SER QB . . 2.690 2.360 2.186 2.490 . 0 0 "[ . 1 . 2]" 1
1141 1 66 ALA MB 1 67 SER HB2 . . 4.870 3.669 3.220 4.730 . 0 0 "[ . 1 . 2]" 1
1142 1 66 ALA MB 1 67 SER HB3 . . 4.870 4.242 3.239 4.870 . 0 0 "[ . 1 . 2]" 1
1143 1 62 THR MG 1 65 SER HB2 . . 4.230 3.542 3.232 3.893 . 0 0 "[ . 1 . 2]" 1
1144 1 65 SER H 1 65 SER HB3 . . 3.750 3.175 2.497 3.707 . 0 0 "[ . 1 . 2]" 1
1145 1 62 THR MG 1 65 SER HB3 . . 4.230 3.889 3.365 4.251 0.021 15 0 "[ . 1 . 2]" 1
1146 1 65 SER HB3 1 68 ALA MB . . 3.650 2.869 1.988 3.603 . 0 0 "[ . 1 . 2]" 1
1147 1 116 GLU HB3 1 117 ALA H . . 4.360 4.094 3.840 4.198 . 0 0 "[ . 1 . 2]" 1
1148 1 116 GLU H 1 116 GLU HB3 . . 3.350 2.885 2.859 2.939 . 0 0 "[ . 1 . 2]" 1
1149 1 115 TYR HA 1 116 GLU HB3 . . 5.180 5.117 5.031 5.180 . 0 0 "[ . 1 . 2]" 1
1150 1 116 GLU HB3 1 117 ALA MB . . 5.210 5.177 5.131 5.235 0.025 12 0 "[ . 1 . 2]" 1
1151 1 116 GLU HB2 1 117 ALA H . . 4.560 4.506 4.326 4.567 0.007 16 0 "[ . 1 . 2]" 1
1152 1 116 GLU H 1 116 GLU HB2 . . 3.230 2.227 2.186 2.267 . 0 0 "[ . 1 . 2]" 1
1153 1 25 VAL HB 1 39 TRP HB3 . . 5.230 4.666 4.359 4.940 . 0 0 "[ . 1 . 2]" 1
1154 1 115 TYR HB3 1 116 GLU HB2 . . 5.500 4.988 4.814 5.174 . 0 0 "[ . 1 . 2]" 1
1155 1 52 GLU HB3 1 53 VAL H . . 4.390 3.412 2.731 4.054 . 0 0 "[ . 1 . 2]" 1
1156 1 63 SER HB2 1 64 PHE QD . . 4.950 3.692 2.323 4.718 . 0 0 "[ . 1 . 2]" 1
1157 1 25 VAL HA 1 39 TRP HB3 . . 4.360 2.170 1.996 2.394 . 0 0 "[ . 1 . 2]" 1
1158 1 22 PRO HB3 1 39 TRP HB3 . . 5.500 5.369 4.584 5.508 0.008 10 0 "[ . 1 . 2]" 1
1159 1 32 HIS HB2 1 88 ASN H . . 4.780 4.062 3.861 4.328 . 0 0 "[ . 1 . 2]" 1
1160 1 32 HIS HB2 1 87 PRO QG . . 3.990 3.970 3.875 4.001 0.011 13 0 "[ . 1 . 2]" 1
1161 1 32 HIS HB2 1 114 THR HB . . 4.290 3.899 3.806 3.966 . 0 0 "[ . 1 . 2]" 1
1162 1 32 HIS HB3 1 115 TYR HB3 . . 4.820 4.411 3.823 4.793 . 0 0 "[ . 1 . 2]" 1
1163 1 32 HIS HB3 1 116 GLU H . . 5.440 5.137 4.780 5.448 0.008 19 0 "[ . 1 . 2]" 1
1164 1 32 HIS HB3 1 87 PRO QG . . 5.230 5.203 5.038 5.251 0.021 11 0 "[ . 1 . 2]" 1
1165 1 32 HIS HB3 1 117 ALA MB . . 4.180 3.464 3.247 3.713 . 0 0 "[ . 1 . 2]" 1
1166 1 32 HIS HB3 1 115 TYR H . . 4.830 4.212 3.763 4.478 . 0 0 "[ . 1 . 2]" 1
1167 1 32 HIS HB3 1 87 PRO HA . . 4.540 4.005 3.758 4.212 . 0 0 "[ . 1 . 2]" 1
1168 1 18 PRO HA 1 19 MET H . . 3.210 3.018 2.386 3.281 0.071 14 0 "[ . 1 . 2]" 1
1169 1 63 SER H 1 63 SER HB2 . . 3.950 2.685 2.195 3.678 . 0 0 "[ . 1 . 2]" 1
1170 1 53 VAL HA 1 53 VAL MG1 . . 3.350 2.802 2.267 3.197 . 0 0 "[ . 1 . 2]" 1
1171 1 21 PRO HB2 1 104 SER HG . . 5.100 4.580 4.195 4.904 . 0 0 "[ . 1 . 2]" 1
1172 1 53 VAL HA 1 54 ARG HA . . 5.070 4.467 4.365 4.607 . 0 0 "[ . 1 . 2]" 1
1173 1 21 PRO HB3 1 22 PRO HD2 . . 3.990 2.748 2.668 2.849 . 0 0 "[ . 1 . 2]" 1
1174 1 21 PRO HB3 1 104 SER HG . . 4.380 2.882 2.429 3.178 . 0 0 "[ . 1 . 2]" 1
1175 1 21 PRO HB2 1 108 MET H . . 5.500 5.168 4.919 5.456 . 0 0 "[ . 1 . 2]" 1
1176 1 21 PRO HB2 1 107 SER HA . . 3.640 3.163 2.787 3.549 . 0 0 "[ . 1 . 2]" 1
1177 1 21 PRO HB2 1 105 THR MG . . 4.420 3.634 3.249 3.947 . 0 0 "[ . 1 . 2]" 1
1178 1 96 MET H 1 96 MET HG2 . . 3.960 3.130 2.511 3.928 . 0 0 "[ . 1 . 2]" 1
1179 1 96 MET HG2 1 106 TRP HZ3 . . 4.800 3.067 2.543 3.780 . 0 0 "[ . 1 . 2]" 1
1180 1 57 THR HB 1 96 MET HG2 . . 3.450 2.706 2.273 3.161 . 0 0 "[ . 1 . 2]" 1
1181 1 96 MET HG3 1 106 TRP HH2 . . 4.740 3.953 3.191 4.455 . 0 0 "[ . 1 . 2]" 1
1182 1 95 VAL MG1 1 96 MET HG3 . . 4.990 4.216 3.868 4.575 . 0 0 "[ . 1 . 2]" 1
1183 1 96 MET HG3 1 97 VAL H . . 4.760 3.727 3.251 4.400 . 0 0 "[ . 1 . 2]" 1
1184 1 95 VAL HA 1 96 MET HG3 . . 4.840 4.251 3.536 4.859 0.019 18 0 "[ . 1 . 2]" 1
1185 1 99 LYS HA 1 99 LYS HD2 . . 5.030 4.443 3.708 4.769 . 0 0 "[ . 1 . 2]" 1
1186 1 96 MET HG2 1 106 TRP HB3 . . 5.490 5.017 4.571 5.352 . 0 0 "[ . 1 . 2]" 1
1187 1 99 LYS HA 1 99 LYS HD3 . . 5.030 4.404 3.868 4.970 . 0 0 "[ . 1 . 2]" 1
1188 1 62 THR HA 1 63 SER H . . 3.100 2.175 2.141 2.241 . 0 0 "[ . 1 . 2]" 1
1189 1 62 THR HA 1 62 THR MG . . 3.320 2.165 2.068 2.321 . 0 0 "[ . 1 . 2]" 1
1190 1 62 THR HA 1 89 THR MG . . 4.230 3.808 3.328 4.187 . 0 0 "[ . 1 . 2]" 1
1191 1 62 THR HA 1 91 TYR QE . . 5.020 3.892 3.414 4.729 . 0 0 "[ . 1 . 2]" 1
1192 1 86 LYS H 1 86 LYS QD . . 4.640 4.570 4.386 4.669 0.029 4 0 "[ . 1 . 2]" 1
1193 1 86 LYS QD 1 87 PRO HD2 . . 4.070 3.871 3.767 4.068 . 0 0 "[ . 1 . 2]" 1
1194 1 86 LYS QB 1 86 LYS QD . . 3.110 2.148 2.064 2.245 . 0 0 "[ . 1 . 2]" 1
1195 1 86 LYS QD 1 89 THR MG . . 3.990 2.779 1.915 3.847 . 0 0 "[ . 1 . 2]" 1
1196 1 86 LYS QD 1 89 THR HB . . 4.830 3.568 2.746 4.553 . 0 0 "[ . 1 . 2]" 1
1197 1 10 THR HA 1 10 THR MG . . 3.730 2.487 2.118 3.206 . 0 0 "[ . 1 . 2]" 1
1198 1 114 THR HA 1 115 TYR HB2 . . 5.200 4.868 4.746 4.987 . 0 0 "[ . 1 . 2]" 1
1199 1 86 LYS QD 1 89 THR HG1 . . 5.200 3.512 2.524 4.779 . 0 0 "[ . 1 . 2]" 1
1200 1 71 LYS HD2 1 85 LEU MD2 . . 5.220 4.801 4.129 5.226 0.006 3 0 "[ . 1 . 2]" 1
1201 1 114 THR HA 1 115 TYR H . . 3.120 2.340 2.250 2.465 . 0 0 "[ . 1 . 2]" 1
1202 1 114 THR HA 1 115 TYR HA . . 4.490 4.312 4.306 4.321 . 0 0 "[ . 1 . 2]" 1
1203 1 32 HIS HA 1 114 THR HA . . 4.220 3.881 3.777 3.963 . 0 0 "[ . 1 . 2]" 1
1204 1 85 LEU MD1 1 114 THR HA . . 5.450 5.206 4.949 5.380 . 0 0 "[ . 1 . 2]" 1
1205 1 60 TRP HE1 1 71 LYS HD2 . . 4.030 3.178 2.392 3.789 . 0 0 "[ . 1 . 2]" 1
1206 1 71 LYS HB3 1 71 LYS HD2 . . 3.850 3.093 2.505 3.590 . 0 0 "[ . 1 . 2]" 1
1207 1 71 LYS HB2 1 71 LYS HD2 . . 3.870 2.418 2.128 2.865 . 0 0 "[ . 1 . 2]" 1
1208 1 60 TRP HE1 1 71 LYS HD3 . . 4.030 2.864 1.939 3.991 . 0 0 "[ . 1 . 2]" 1
1209 1 60 TRP HZ2 1 71 LYS HD3 . . 4.090 2.143 1.990 2.644 . 0 0 "[ . 1 . 2]" 1
1210 1 71 LYS HB2 1 71 LYS HD3 . . 3.870 3.031 2.442 3.674 . 0 0 "[ . 1 . 2]" 1
1211 1 71 LYS HD3 1 85 LEU MD2 . . 5.220 4.500 3.809 5.231 0.011 6 0 "[ . 1 . 2]" 1
1212 1 50 THR HA 1 50 THR MG . . 3.500 2.400 2.026 3.201 . 0 0 "[ . 1 . 2]" 1
1213 1 104 SER HG 1 105 THR HA . . 4.880 4.158 3.847 4.622 . 0 0 "[ . 1 . 2]" 1
1214 1 105 THR HA 1 106 TRP HB2 . . 5.110 4.831 4.743 4.911 . 0 0 "[ . 1 . 2]" 1
1215 1 105 THR HA 1 105 THR MG . . 3.300 3.202 3.192 3.205 . 0 0 "[ . 1 . 2]" 1
1216 1 62 THR MG 1 63 SER HA . . 5.500 5.515 5.389 5.611 0.111 17 0 "[ . 1 . 2]" 1
1217 1 22 PRO HG2 1 23 VAL H . . 5.120 4.201 3.961 4.392 . 0 0 "[ . 1 . 2]" 1
1218 1 22 PRO HG3 1 23 VAL H . . 5.120 4.881 4.666 5.059 . 0 0 "[ . 1 . 2]" 1
1219 1 56 TYR QE 1 78 LEU HG . . 5.280 5.187 4.883 5.293 0.013 11 0 "[ . 1 . 2]" 1
1220 1 22 PRO HG3 1 95 VAL MG1 . . 3.830 1.953 1.860 2.290 . 0 0 "[ . 1 . 2]" 1
1221 1 22 PRO HG3 1 39 TRP HD1 . . 4.950 3.949 3.534 4.201 . 0 0 "[ . 1 . 2]" 1
1222 1 39 TRP HE1 1 78 LEU HG . . 4.540 4.394 4.254 4.535 . 0 0 "[ . 1 . 2]" 1
1223 1 87 PRO QG 1 117 ALA H . . 4.420 3.756 3.499 3.992 . 0 0 "[ . 1 . 2]" 1
1224 1 87 PRO QG 1 88 ASN H . . 4.630 4.417 4.288 4.581 . 0 0 "[ . 1 . 2]" 1
1225 1 78 LEU HA 1 78 LEU HG . . 3.550 2.978 2.873 3.077 . 0 0 "[ . 1 . 2]" 1
1226 1 28 VAL HA 1 29 ALA MB . . 4.000 3.951 3.920 3.977 . 0 0 "[ . 1 . 2]" 1
1227 1 27 ALA MB 1 28 VAL HA . . 4.500 4.319 4.288 4.356 . 0 0 "[ . 1 . 2]" 1
1228 1 28 VAL HA 1 35 VAL MG2 . . 5.330 5.251 5.143 5.308 . 0 0 "[ . 1 . 2]" 1
1229 1 28 VAL HA 1 35 VAL MG1 . . 4.700 4.343 4.248 4.459 . 0 0 "[ . 1 . 2]" 1
1230 1 44 VAL HA 1 45 PRO HD2 . . 2.940 1.992 1.913 2.243 . 0 0 "[ . 1 . 2]" 1
1231 1 31 THR H 1 35 VAL HA . . 4.530 3.980 3.902 4.039 . 0 0 "[ . 1 . 2]" 1
1232 1 30 LEU HG 1 35 VAL HA . . 4.030 2.808 2.636 2.948 . 0 0 "[ . 1 . 2]" 1
1233 1 30 LEU H 1 35 VAL HA . . 3.630 2.090 2.030 2.138 . 0 0 "[ . 1 . 2]" 1
1234 1 34 ALA HA 1 35 VAL HA . . 5.130 4.435 4.407 4.485 . 0 0 "[ . 1 . 2]" 1
1235 1 35 VAL HA 1 35 VAL MG1 . . 3.600 2.562 2.523 2.618 . 0 0 "[ . 1 . 2]" 1
1236 1 17 THR MG 1 18 PRO HG2 . . 5.140 4.907 4.455 5.085 . 0 0 "[ . 1 . 2]" 1
1237 1 102 ARG HA 1 102 ARG HG2 . . 3.890 3.906 3.846 3.941 0.051 12 0 "[ . 1 . 2]" 1
1238 1 19 MET QG 1 102 ARG HG2 . . 4.500 3.667 3.395 4.042 . 0 0 "[ . 1 . 2]" 1
1239 1 102 ARG HA 1 102 ARG HG3 . . 3.890 3.587 3.512 3.633 . 0 0 "[ . 1 . 2]" 1
1240 1 19 MET QG 1 102 ARG HG3 . . 4.500 2.867 2.529 3.146 . 0 0 "[ . 1 . 2]" 1
1241 1 36 ARG HA 1 36 ARG HG2 . . 3.970 3.869 3.811 3.935 . 0 0 "[ . 1 . 2]" 1
1242 1 36 ARG HA 1 36 ARG HG3 . . 3.970 3.155 3.050 3.280 . 0 0 "[ . 1 . 2]" 1
1243 1 17 THR HB 1 18 PRO HG2 . . 4.140 3.855 3.720 3.978 . 0 0 "[ . 1 . 2]" 1
1244 1 21 PRO QG 1 108 MET H . . 5.500 5.208 4.991 5.428 . 0 0 "[ . 1 . 2]" 1
1245 1 20 LEU HA 1 21 PRO QG . . 3.830 3.771 3.765 3.794 . 0 0 "[ . 1 . 2]" 1
1246 1 21 PRO QG 1 105 THR H . . 4.650 4.232 3.991 4.434 . 0 0 "[ . 1 . 2]" 1
1247 1 21 PRO QG 1 107 SER HA . . 3.740 3.469 3.163 3.752 0.012 11 0 "[ . 1 . 2]" 1
1248 1 21 PRO QG 1 22 PRO HD2 . . 4.290 3.971 3.848 4.119 . 0 0 "[ . 1 . 2]" 1
1249 1 20 LEU MD1 1 21 PRO QG . . 4.050 3.015 2.772 3.310 . 0 0 "[ . 1 . 2]" 1
1250 1 20 LEU HA 1 20 LEU HG . . 3.900 3.685 3.649 3.733 . 0 0 "[ . 1 . 2]" 1
1251 1 20 LEU HG 1 21 PRO HD2 . . 4.710 4.467 4.080 4.717 0.007 3 0 "[ . 1 . 2]" 1
1252 1 20 LEU HG 1 43 SER HA . . 4.460 3.812 2.723 4.479 0.019 2 0 "[ . 1 . 2]" 1
1253 1 15 LEU H 1 15 LEU HG . . 4.340 3.182 1.934 4.274 . 0 0 "[ . 1 . 2]" 1
1254 1 36 ARG H 1 36 ARG HG2 . . 4.910 4.600 4.543 4.654 . 0 0 "[ . 1 . 2]" 1
1255 1 36 ARG HG3 1 79 SER HB2 . . 4.770 3.772 3.274 4.164 . 0 0 "[ . 1 . 2]" 1
1256 1 36 ARG H 1 36 ARG HG3 . . 4.910 4.262 4.121 4.343 . 0 0 "[ . 1 . 2]" 1
1257 1 21 PRO QG 1 104 SER HG . . 5.080 4.182 3.513 4.541 . 0 0 "[ . 1 . 2]" 1
1258 1 55 LEU HG 1 75 THR H . . 5.290 3.879 3.669 4.703 . 0 0 "[ . 1 . 2]" 1
1259 1 55 LEU HG 1 98 THR H . . 5.500 4.666 3.762 5.509 0.009 3 0 "[ . 1 . 2]" 1
1260 1 55 LEU H 1 55 LEU HG . . 5.100 4.395 4.133 5.065 . 0 0 "[ . 1 . 2]" 1
1261 1 55 LEU HG 1 57 THR HA . . 5.500 4.451 4.195 5.500 . 3 0 "[ . 1 . 2]" 1
1262 1 55 LEU HG 1 76 THR HA . . 5.500 5.274 5.041 5.532 0.032 15 0 "[ . 1 . 2]" 1
1263 1 55 LEU HA 1 55 LEU HG . . 4.020 3.082 2.887 3.846 . 0 0 "[ . 1 . 2]" 1
1264 1 55 LEU HG 1 98 THR HB . . 4.740 4.487 3.460 4.745 0.005 10 0 "[ . 1 . 2]" 1
1265 1 55 LEU HG 1 74 ASP QB . . 3.640 3.488 2.901 3.646 0.006 18 0 "[ . 1 . 2]" 1
1266 1 30 LEU HG 1 31 THR H . . 4.590 3.991 3.860 4.089 . 0 0 "[ . 1 . 2]" 1
1267 1 29 ALA MB 1 30 LEU HG . . 5.420 4.906 4.816 4.969 . 0 0 "[ . 1 . 2]" 1
1268 1 30 LEU HG 1 34 ALA MB . . 4.400 3.662 3.506 3.822 . 0 0 "[ . 1 . 2]" 1
1269 1 34 ALA HA 1 85 LEU HG . . 4.680 3.723 3.432 3.967 . 0 0 "[ . 1 . 2]" 1
1270 1 83 THR HA 1 85 LEU HG . . 5.030 3.237 3.120 3.419 . 0 0 "[ . 1 . 2]" 1
1271 1 30 LEU MD1 1 36 ARG H . . 3.710 2.940 2.693 3.107 . 0 0 "[ . 1 . 2]" 1
1272 1 30 LEU H 1 30 LEU MD1 . . 3.570 3.396 3.169 3.530 . 0 0 "[ . 1 . 2]" 1
1273 1 30 LEU MD1 1 36 ARG HA . . 3.260 2.996 2.767 3.165 . 0 0 "[ . 1 . 2]" 1
1274 1 30 LEU MD1 1 35 VAL HA . . 3.680 3.517 3.235 3.680 0.000 4 0 "[ . 1 . 2]" 1
1275 1 30 LEU MD1 1 36 ARG QD . . 3.780 3.544 3.069 3.766 . 0 0 "[ . 1 . 2]" 1
1276 1 30 LEU QB 1 30 LEU MD1 . . 2.570 2.033 1.972 2.097 . 0 0 "[ . 1 . 2]" 1
1277 1 30 LEU MD1 1 35 VAL MG1 . . 4.660 4.551 4.409 4.625 . 0 0 "[ . 1 . 2]" 1
1278 1 80 TYR HA 1 80 TYR QD . . 3.980 2.988 2.789 3.169 . 0 0 "[ . 1 . 2]" 1
1279 1 80 TYR HA 1 80 TYR QE . . 4.840 4.761 4.629 4.859 0.019 14 0 "[ . 1 . 2]" 1
1280 1 20 LEU MD1 1 43 SER HA . . 4.400 3.779 3.018 4.378 . 0 0 "[ . 1 . 2]" 1
1281 1 61 ARG HB3 1 70 TYR HA . . 4.570 3.432 1.907 4.610 0.040 14 0 "[ . 1 . 2]" 1
1282 1 35 VAL MG2 1 85 LEU HG . . 5.070 4.619 4.464 4.822 . 0 0 "[ . 1 . 2]" 1
1283 1 85 LEU MD1 1 86 LYS H . . 4.440 4.245 4.110 4.531 0.091 12 0 "[ . 1 . 2]" 1
1284 1 82 ALA H 1 85 LEU MD1 . . 4.730 4.157 3.944 4.372 . 0 0 "[ . 1 . 2]" 1
1285 1 84 GLY H 1 85 LEU MD1 . . 5.200 4.404 4.315 4.533 . 0 0 "[ . 1 . 2]" 1
1286 1 85 LEU H 1 85 LEU MD1 . . 3.590 3.522 3.407 3.609 0.019 20 0 "[ . 1 . 2]" 1
1287 1 85 LEU MD1 1 91 TYR QE . . 3.770 2.200 1.933 2.569 . 0 0 "[ . 1 . 2]" 1
1288 1 85 LEU MD1 1 93 PHE QE . . 4.400 3.664 3.410 3.911 . 0 0 "[ . 1 . 2]" 1
1289 1 85 LEU MD1 1 93 PHE HZ . . 3.680 2.985 2.619 3.242 . 0 0 "[ . 1 . 2]" 1
1290 1 34 ALA HA 1 85 LEU MD1 . . 3.690 2.606 2.410 2.887 . 0 0 "[ . 1 . 2]" 1
1291 1 83 THR HA 1 85 LEU MD1 . . 4.490 3.599 3.316 3.879 . 0 0 "[ . 1 . 2]" 1
1292 1 33 ASP HA 1 85 LEU MD1 . . 4.020 3.158 2.881 3.441 . 0 0 "[ . 1 . 2]" 1
1293 1 35 VAL HA 1 85 LEU MD1 . . 4.510 4.077 3.931 4.235 . 0 0 "[ . 1 . 2]" 1
1294 1 22 PRO HD3 1 106 TRP HA . . 5.390 5.319 4.997 5.455 0.065 19 0 "[ . 1 . 2]" 1
1295 1 22 PRO HD2 1 106 TRP HA . . 4.820 4.012 3.782 4.176 . 0 0 "[ . 1 . 2]" 1
1296 1 22 PRO HD2 1 107 SER HA . . 5.270 4.437 4.106 4.965 . 0 0 "[ . 1 . 2]" 1
1297 1 21 PRO HB3 1 106 TRP HA . . 4.180 3.754 3.302 4.162 . 0 0 "[ . 1 . 2]" 1
1298 1 21 PRO HB3 1 107 SER HA . . 4.650 4.221 3.785 4.542 . 0 0 "[ . 1 . 2]" 1
1299 1 41 ASP H 1 78 LEU MD1 . . 3.970 3.290 2.794 3.793 . 0 0 "[ . 1 . 2]" 1
1300 1 78 LEU H 1 78 LEU MD1 . . 3.930 3.558 3.385 3.873 . 0 0 "[ . 1 . 2]" 1
1301 1 39 TRP H 1 78 LEU MD1 . . 5.070 4.971 4.756 5.081 0.011 20 0 "[ . 1 . 2]" 1
1302 1 40 ALA MB 1 78 LEU MD1 . . 4.910 4.362 4.203 4.599 . 0 0 "[ . 1 . 2]" 1
1303 1 40 ALA HA 1 78 LEU MD1 . . 3.750 3.265 3.032 3.626 . 0 0 "[ . 1 . 2]" 1
1304 1 77 SER QB 1 78 LEU MD1 . . 5.500 5.176 4.994 5.456 . 0 0 "[ . 1 . 2]" 1
1305 1 41 ASP HB2 1 78 LEU MD1 . . 4.310 3.786 2.623 4.317 0.007 6 0 "[ . 1 . 2]" 1
1306 1 25 VAL MG2 1 94 SER HA . . 4.430 3.690 3.375 3.996 . 0 0 "[ . 1 . 2]" 1
1307 1 25 VAL MG1 1 94 SER HA . . 4.430 2.651 2.258 3.209 . 0 0 "[ . 1 . 2]" 1
1308 1 95 VAL H 1 106 TRP HA . . 4.690 4.151 3.757 4.652 . 0 0 "[ . 1 . 2]" 1
1309 1 105 THR MG 1 106 TRP HA . . 4.970 4.019 3.821 4.158 . 0 0 "[ . 1 . 2]" 1
1310 1 105 THR MG 1 107 SER HA . . 5.340 4.021 3.854 4.410 . 0 0 "[ . 1 . 2]" 1
1311 1 96 MET HB2 1 106 TRP HA . . 4.140 3.635 3.253 4.127 . 0 0 "[ . 1 . 2]" 1
1312 1 117 ALA HA 1 118 SER HA . . 5.490 4.539 4.299 4.890 . 0 0 "[ . 1 . 2]" 1
1313 1 118 SER HA 1 119 GLY HA2 . . 5.500 4.504 4.304 4.913 . 0 0 "[ . 1 . 2]" 1
1314 1 118 SER HA 1 119 GLY HA3 . . 5.500 4.527 4.299 5.361 . 0 0 "[ . 1 . 2]" 1
1315 1 63 SER HA 1 64 PHE HA . . 4.640 4.371 4.359 4.399 . 0 0 "[ . 1 . 2]" 1
1316 1 96 MET HB3 1 106 TRP HA . . 3.890 2.238 1.995 2.574 . 0 0 "[ . 1 . 2]" 1
1317 1 71 LYS H 1 71 LYS HG2 . . 4.930 4.612 4.443 4.682 . 0 0 "[ . 1 . 2]" 1
1318 1 71 LYS HG2 1 72 SER H . . 3.940 2.339 2.031 3.043 . 0 0 "[ . 1 . 2]" 1
1319 1 71 LYS HA 1 71 LYS HG2 . . 3.630 3.018 2.373 3.284 . 0 0 "[ . 1 . 2]" 1
1320 1 71 LYS H 1 71 LYS HG3 . . 4.930 4.303 3.442 4.547 . 0 0 "[ . 1 . 2]" 1
1321 1 71 LYS QE 1 71 LYS HG3 . . 3.560 2.485 2.066 2.961 . 0 0 "[ . 1 . 2]" 1
1322 1 20 LEU H 1 20 LEU MD1 . . 5.080 4.232 4.154 4.298 . 0 0 "[ . 1 . 2]" 1
1323 1 20 LEU HA 1 20 LEU MD1 . . 3.670 2.621 2.439 2.814 . 0 0 "[ . 1 . 2]" 1
1324 1 20 LEU MD1 1 21 PRO HD2 . . 3.810 2.248 1.978 2.576 . 0 0 "[ . 1 . 2]" 1
1325 1 20 LEU MD1 1 42 ASN HB3 . . 4.780 4.154 2.098 4.785 0.005 19 0 "[ . 1 . 2]" 1
1326 1 20 LEU MD1 1 21 PRO HB3 . . 4.830 4.687 4.496 4.860 0.030 17 0 "[ . 1 . 2]" 1
1327 1 55 LEU MD1 1 75 THR H . . 4.370 2.934 2.303 3.655 . 0 0 "[ . 1 . 2]" 1
1328 1 55 LEU MD1 1 56 TYR H . . 4.250 2.740 1.967 3.130 . 0 0 "[ . 1 . 2]" 1
1329 1 55 LEU MD1 1 74 ASP HA . . 4.590 3.189 2.490 3.717 . 0 0 "[ . 1 . 2]" 1
1330 1 55 LEU HA 1 55 LEU MD1 . . 4.010 2.685 2.332 3.397 . 0 0 "[ . 1 . 2]" 1
1331 1 55 LEU MD1 1 98 THR HB . . 5.250 4.903 2.654 5.268 0.018 8 0 "[ . 1 . 2]" 1
1332 1 55 LEU MD1 1 74 ASP QB . . 3.150 2.062 1.765 3.153 0.003 3 0 "[ . 1 . 2]" 1
1333 1 55 LEU HB3 1 55 LEU MD1 . . 3.270 3.017 2.136 3.184 . 0 0 "[ . 1 . 2]" 1
1334 1 55 LEU H 1 55 LEU MD1 . . 4.590 4.461 3.627 4.647 0.057 20 0 "[ . 1 . 2]" 1
1335 1 115 TYR HA 1 116 GLU HB2 . . 4.550 4.286 4.263 4.318 . 0 0 "[ . 1 . 2]" 1
1336 1 67 SER HA 1 68 ALA MB . . 5.040 4.257 3.862 4.626 . 0 0 "[ . 1 . 2]" 1
1337 1 86 LYS HG3 1 87 PRO HD3 . . 4.260 3.692 3.392 4.077 . 0 0 "[ . 1 . 2]" 1
1338 1 86 LYS HG3 1 89 THR HB . . 4.930 4.811 4.546 4.942 0.012 11 0 "[ . 1 . 2]" 1
1339 1 86 LYS QE 1 86 LYS HG3 . . 3.850 2.754 2.150 3.440 . 0 0 "[ . 1 . 2]" 1
1340 1 86 LYS HG3 1 89 THR MG . . 5.150 4.783 4.495 5.020 . 0 0 "[ . 1 . 2]" 1
1341 1 86 LYS HG2 1 89 THR HA . . 5.500 5.427 5.089 5.513 0.013 1 0 "[ . 1 . 2]" 1
1342 1 86 LYS H 1 86 LYS HG2 . . 4.780 4.527 4.417 4.650 . 0 0 "[ . 1 . 2]" 1
1343 1 86 LYS HG2 1 87 PRO HD3 . . 4.170 3.887 3.643 4.184 0.014 5 0 "[ . 1 . 2]" 1
1344 1 86 LYS HG2 1 89 THR HB . . 5.070 3.553 3.250 3.821 . 0 0 "[ . 1 . 2]" 1
1345 1 86 LYS HG2 1 87 PRO HD2 . . 4.210 2.335 2.111 2.655 . 0 0 "[ . 1 . 2]" 1
1346 1 86 LYS QE 1 86 LYS HG2 . . 3.850 2.825 2.067 3.463 . 0 0 "[ . 1 . 2]" 1
1347 1 86 LYS HG2 1 89 THR MG . . 4.640 3.901 3.551 4.030 . 0 0 "[ . 1 . 2]" 1
1348 1 86 LYS H 1 114 THR MG . . 4.850 4.327 4.069 4.800 . 0 0 "[ . 1 . 2]" 1
1349 1 114 THR H 1 114 THR MG . . 3.340 2.683 2.459 2.767 . 0 0 "[ . 1 . 2]" 1
1350 1 89 THR H 1 114 THR MG . . 3.860 3.788 3.507 3.880 0.020 20 0 "[ . 1 . 2]" 1
1351 1 88 ASN H 1 114 THR MG . . 4.620 4.484 4.082 4.655 0.035 11 0 "[ . 1 . 2]" 1
1352 1 34 ALA H 1 114 THR MG . . 3.590 3.053 2.767 3.393 . 0 0 "[ . 1 . 2]" 1
1353 1 91 TYR QE 1 114 THR MG . . 3.770 3.118 2.905 3.388 . 0 0 "[ . 1 . 2]" 1
1354 1 114 THR HG1 1 114 THR MG . . 3.140 2.558 2.267 3.042 . 0 0 "[ . 1 . 2]" 1
1355 1 32 HIS HA 1 114 THR MG . . 4.000 3.465 3.345 3.551 . 0 0 "[ . 1 . 2]" 1
1356 1 33 ASP HA 1 114 THR MG . . 3.700 3.255 2.991 3.593 . 0 0 "[ . 1 . 2]" 1
1357 1 114 THR HA 1 114 THR MG . . 3.160 2.211 2.159 2.286 . 0 0 "[ . 1 . 2]" 1
1358 1 32 HIS HB3 1 114 THR MG . . 5.500 5.382 5.274 5.472 . 0 0 "[ . 1 . 2]" 1
1359 1 87 PRO HB3 1 114 THR MG . . 5.500 5.501 5.385 5.533 0.033 17 0 "[ . 1 . 2]" 1
1360 1 85 LEU MD1 1 114 THR MG . . 2.990 2.475 2.206 2.698 . 0 0 "[ . 1 . 2]" 1
1361 1 15 LEU HA 1 15 LEU MD1 . . 4.170 3.519 2.752 3.960 . 0 0 "[ . 1 . 2]" 1
1362 1 15 LEU QB 1 15 LEU MD1 . . 3.050 2.098 1.935 2.437 . 0 0 "[ . 1 . 2]" 1
1363 1 101 ARG HA 1 101 ARG QD . . 4.360 3.612 1.915 4.444 0.084 14 0 "[ . 1 . 2]" 1
1364 1 101 ARG HA 1 101 ARG QG . . 3.430 2.731 2.272 3.392 . 0 0 "[ . 1 . 2]" 1
1365 1 98 THR MG 1 101 ARG HA . . 3.850 3.710 3.110 3.855 0.005 11 0 "[ . 1 . 2]" 1
1366 1 49 LYS HA 1 49 LYS HG2 . . 3.910 3.042 2.190 3.669 . 0 0 "[ . 1 . 2]" 1
1367 1 46 LYS HG2 1 47 ASN QB . . 5.060 3.770 2.332 5.034 . 0 0 "[ . 1 . 2]" 1
1368 1 46 LYS HG2 1 47 ASN H . . 5.480 2.938 2.046 4.874 . 0 0 "[ . 1 . 2]" 1
1369 1 46 LYS HG3 1 47 ASN H . . 5.480 2.904 1.866 4.112 . 0 0 "[ . 1 . 2]" 1
1370 1 69 LYS H 1 69 LYS HG3 . . 4.280 2.865 1.894 4.194 . 0 0 "[ . 1 . 2]" 1
1371 1 46 LYS HG3 1 47 ASN QB . . 5.060 3.657 2.395 4.831 . 0 0 "[ . 1 . 2]" 1
1372 1 45 PRO HB2 1 46 LYS HA . . 5.060 4.655 4.366 4.968 . 0 0 "[ . 1 . 2]" 1
1373 1 99 LYS HA 1 99 LYS HG3 . . 4.100 2.649 2.258 3.666 . 0 0 "[ . 1 . 2]" 1
1374 1 99 LYS HA 1 99 LYS HG2 . . 4.100 2.919 2.533 3.691 . 0 0 "[ . 1 . 2]" 1
1375 1 116 GLU HA 1 117 ALA MB . . 4.020 3.947 3.907 4.003 . 0 0 "[ . 1 . 2]" 1
1376 1 87 PRO HA 1 116 GLU HA . . 4.660 4.540 4.306 4.671 0.011 12 0 "[ . 1 . 2]" 1
1377 1 49 LYS HA 1 49 LYS HG3 . . 3.910 3.055 2.169 4.181 0.271 14 0 "[ . 1 . 2]" 1
1378 1 55 LEU MD2 1 75 THR H . . 4.370 4.144 2.112 4.395 0.025 8 0 "[ . 1 . 2]" 1
1379 1 55 LEU MD2 1 56 TYR H . . 4.250 3.878 1.712 4.296 0.046 13 0 "[ . 1 . 2]" 1
1380 1 55 LEU H 1 55 LEU MD2 . . 4.590 4.247 4.103 4.394 . 0 0 "[ . 1 . 2]" 1
1381 1 55 LEU MD2 1 74 ASP HA . . 4.590 3.490 2.708 3.863 . 0 0 "[ . 1 . 2]" 1
1382 1 55 LEU HA 1 55 LEU MD2 . . 4.010 3.789 1.952 4.016 0.006 6 0 "[ . 1 . 2]" 1
1383 1 55 LEU MD2 1 98 THR HB . . 5.250 3.083 2.504 5.135 . 0 0 "[ . 1 . 2]" 1
1384 1 55 LEU MD2 1 74 ASP QB . . 3.150 2.438 1.938 2.800 . 0 0 "[ . 1 . 2]" 1
1385 1 55 LEU HB3 1 55 LEU MD2 . . 3.270 2.270 2.136 3.181 . 0 0 "[ . 1 . 2]" 1
1386 1 39 TRP HE3 1 79 SER HA . . 4.770 3.711 3.272 3.867 . 0 0 "[ . 1 . 2]" 1
1387 1 39 TRP HZ3 1 79 SER HA . . 4.290 2.892 2.356 3.055 . 0 0 "[ . 1 . 2]" 1
1388 1 37 VAL H 1 79 SER HA . . 5.070 4.816 4.579 4.949 . 0 0 "[ . 1 . 2]" 1
1389 1 91 TYR H 1 112 ALA MB . . 4.910 4.572 4.320 4.771 . 0 0 "[ . 1 . 2]" 1
1390 1 112 ALA H 1 112 ALA MB . . 3.110 2.782 2.657 2.887 . 0 0 "[ . 1 . 2]" 1
1391 1 112 ALA MB 1 113 THR H . . 3.480 3.329 3.229 3.446 . 0 0 "[ . 1 . 2]" 1
1392 1 93 PHE QD 1 112 ALA MB . . 4.220 3.903 3.570 4.148 . 0 0 "[ . 1 . 2]" 1
1393 1 93 PHE QE 1 112 ALA MB . . 3.990 3.670 3.139 3.991 0.001 1 0 "[ . 1 . 2]" 1
1394 1 93 PHE HZ 1 112 ALA MB . . 5.020 4.819 4.227 5.031 0.011 16 0 "[ . 1 . 2]" 1
1395 1 111 HIS HA 1 112 ALA MB . . 4.340 3.869 3.766 3.965 . 0 0 "[ . 1 . 2]" 1
1396 1 27 ALA HA 1 112 ALA MB . . 4.220 3.824 3.608 4.076 . 0 0 "[ . 1 . 2]" 1
1397 1 28 VAL HA 1 112 ALA MB . . 3.800 3.666 3.543 3.808 0.008 12 0 "[ . 1 . 2]" 1
1398 1 29 ALA HA 1 112 ALA MB . . 4.380 3.988 3.747 4.196 . 0 0 "[ . 1 . 2]" 1
1399 1 112 ALA MB 1 114 THR HA . . 5.210 5.157 5.034 5.233 0.023 14 0 "[ . 1 . 2]" 1
1400 1 90 MET HG2 1 112 ALA MB . . 5.290 4.565 3.824 5.260 . 0 0 "[ . 1 . 2]" 1
1401 1 27 ALA MB 1 112 ALA MB . . 2.660 1.790 1.693 2.056 . 0 0 "[ . 1 . 2]" 1
1402 1 35 VAL MG2 1 112 ALA MB . . 3.250 2.935 2.658 3.165 . 0 0 "[ . 1 . 2]" 1
1403 1 37 VAL MG2 1 112 ALA MB . . 4.600 4.253 3.904 4.605 0.005 12 0 "[ . 1 . 2]" 1
1404 1 111 HIS H 1 112 ALA MB . . 4.780 4.583 4.343 4.747 . 0 0 "[ . 1 . 2]" 1
1405 1 41 ASP H 1 78 LEU MD2 . . 3.970 3.556 2.904 3.982 0.012 2 0 "[ . 1 . 2]" 1
1406 1 40 ALA HA 1 78 LEU MD2 . . 3.750 3.547 2.762 3.757 0.007 18 0 "[ . 1 . 2]" 1
1407 1 77 SER QB 1 78 LEU MD2 . . 5.500 5.198 5.013 5.356 . 0 0 "[ . 1 . 2]" 1
1408 1 78 LEU HA 1 78 LEU MD2 . . 4.020 2.154 1.988 2.307 . 0 0 "[ . 1 . 2]" 1
1409 1 41 ASP HB2 1 78 LEU MD2 . . 4.310 3.245 1.863 3.969 . 0 0 "[ . 1 . 2]" 1
1410 1 41 ASP HB3 1 78 LEU MD2 . . 4.310 2.633 2.023 3.607 . 0 0 "[ . 1 . 2]" 1
1411 1 40 ALA MB 1 78 LEU MD2 . . 4.910 4.621 4.090 4.804 . 0 0 "[ . 1 . 2]" 1
1412 1 52 GLU HA 1 53 VAL HA . . 4.590 4.365 4.304 4.424 . 0 0 "[ . 1 . 2]" 1
1413 1 93 PHE H 1 109 THR MG . . 3.720 2.215 1.896 2.582 . 0 0 "[ . 1 . 2]" 1
1414 1 109 THR MG 1 110 ALA H . . 3.340 2.211 1.872 2.616 . 0 0 "[ . 1 . 2]" 1
1415 1 109 THR H 1 109 THR MG . . 3.780 3.748 3.683 3.795 0.015 4 0 "[ . 1 . 2]" 1
1416 1 94 SER HG 1 109 THR MG . . 5.490 4.531 3.642 5.524 0.034 12 0 "[ . 1 . 2]" 1
1417 1 109 THR HA 1 109 THR MG . . 3.110 2.423 2.233 2.568 . 0 0 "[ . 1 . 2]" 1
1418 1 94 SER HA 1 109 THR MG . . 4.710 4.221 3.288 4.746 0.036 18 0 "[ . 1 . 2]" 1
1419 1 92 GLU HG2 1 109 THR MG . . 3.940 2.799 1.890 3.344 . 0 0 "[ . 1 . 2]" 1
1420 1 92 GLU HB2 1 109 THR MG . . 3.770 2.471 1.756 3.716 . 0 0 "[ . 1 . 2]" 1
1421 1 92 GLU HB3 1 109 THR MG . . 3.770 3.208 1.943 3.773 0.003 6 0 "[ . 1 . 2]" 1
1422 1 15 LEU HA 1 15 LEU MD2 . . 4.170 2.969 2.113 4.113 . 0 0 "[ . 1 . 2]" 1
1423 1 97 VAL MG1 1 98 THR H . . 4.220 3.864 3.675 4.104 . 0 0 "[ . 1 . 2]" 1
1424 1 56 TYR QE 1 97 VAL MG1 . . 4.500 4.259 3.865 4.521 0.021 13 0 "[ . 1 . 2]" 1
1425 1 97 VAL HA 1 97 VAL MG1 . . 3.700 3.191 3.160 3.201 . 0 0 "[ . 1 . 2]" 1
1426 1 52 GLU HA 1 52 GLU QG . . 3.430 2.524 2.194 3.434 0.004 19 0 "[ . 1 . 2]" 1
1427 1 58 VAL MG2 1 59 ARG H . . 4.340 4.159 4.026 4.256 . 0 0 "[ . 1 . 2]" 1
1428 1 39 TRP HZ2 1 58 VAL MG2 . . 4.140 3.832 3.666 4.140 0.000 13 0 "[ . 1 . 2]" 1
1429 1 58 VAL MG2 1 80 TYR HB3 . . 3.440 2.671 2.283 2.896 . 0 0 "[ . 1 . 2]" 1
1430 1 58 VAL H 1 58 VAL MG2 . . 3.440 2.761 2.581 2.966 . 0 0 "[ . 1 . 2]" 1
1431 1 58 VAL MG2 1 93 PHE QD . . 5.500 5.254 4.868 5.511 0.011 8 0 "[ . 1 . 2]" 1
1432 1 58 VAL MG2 1 80 TYR QD . . 3.810 3.451 3.087 3.702 . 0 0 "[ . 1 . 2]" 1
1433 1 39 TRP HZ3 1 58 VAL MG2 . . 3.550 2.924 2.482 3.302 . 0 0 "[ . 1 . 2]" 1
1434 1 39 TRP HH2 1 58 VAL MG2 . . 3.670 2.533 2.373 2.746 . 0 0 "[ . 1 . 2]" 1
1435 1 58 VAL MG2 1 95 VAL HA . . 4.470 3.431 3.103 4.064 . 0 0 "[ . 1 . 2]" 1
1436 1 57 THR HA 1 58 VAL MG2 . . 4.390 3.316 3.118 3.577 . 0 0 "[ . 1 . 2]" 1
1437 1 58 VAL MG2 1 80 TYR HB2 . . 3.480 2.551 2.158 2.793 . 0 0 "[ . 1 . 2]" 1
1438 1 37 VAL HB 1 58 VAL MG2 . . 4.310 4.002 3.669 4.249 . 0 0 "[ . 1 . 2]" 1
1439 1 37 VAL MG2 1 110 ALA MB . . 4.460 4.200 3.819 4.463 0.003 20 0 "[ . 1 . 2]" 1
1440 1 110 ALA H 1 110 ALA MB . . 3.200 2.400 2.259 2.526 . 0 0 "[ . 1 . 2]" 1
1441 1 110 ALA MB 1 111 HIS H . . 3.410 2.985 2.238 3.327 . 0 0 "[ . 1 . 2]" 1
1442 1 27 ALA H 1 110 ALA MB . . 3.200 2.511 2.059 3.008 . 0 0 "[ . 1 . 2]" 1
1443 1 93 PHE QD 1 110 ALA MB . . 4.370 4.122 3.719 4.374 0.004 9 0 "[ . 1 . 2]" 1
1444 1 110 ALA MB 1 111 HIS HA . . 4.760 4.213 3.954 4.343 . 0 0 "[ . 1 . 2]" 1
1445 1 26 GLN HA 1 110 ALA MB . . 3.180 2.716 2.248 3.182 0.002 8 0 "[ . 1 . 2]" 1
1446 1 93 PHE HB2 1 110 ALA MB . . 3.740 2.784 2.302 3.267 . 0 0 "[ . 1 . 2]" 1
1447 1 25 VAL HB 1 110 ALA MB . . 3.420 2.966 2.522 3.303 . 0 0 "[ . 1 . 2]" 1
1448 1 27 ALA MB 1 110 ALA MB . . 2.840 2.065 1.868 2.332 . 0 0 "[ . 1 . 2]" 1
1449 1 35 VAL MG1 1 110 ALA MB . . 5.350 5.193 4.994 5.375 0.025 20 0 "[ . 1 . 2]" 1
1450 1 31 THR MG 1 33 ASP H . . 3.890 1.823 1.743 1.987 . 0 0 "[ . 1 . 2]" 1
1451 1 31 THR MG 1 115 TYR QD . . 4.700 4.463 4.291 4.594 . 0 0 "[ . 1 . 2]" 1
1452 1 31 THR MG 1 34 ALA H . . 4.030 2.249 2.191 2.388 . 0 0 "[ . 1 . 2]" 1
1453 1 31 THR MG 1 32 HIS HA . . 4.080 4.115 4.036 4.192 0.112 20 0 "[ . 1 . 2]" 1
1454 1 31 THR MG 1 35 VAL HA . . 5.500 5.482 5.416 5.524 0.024 2 0 "[ . 1 . 2]" 1
1455 1 20 LEU H 1 20 LEU MD2 . . 4.320 4.076 3.862 4.287 . 0 0 "[ . 1 . 2]" 1
1456 1 20 LEU HA 1 20 LEU MD2 . . 2.810 2.026 1.938 2.172 . 0 0 "[ . 1 . 2]" 1
1457 1 20 LEU MD2 1 21 PRO HD2 . . 3.060 2.299 1.973 2.791 . 0 0 "[ . 1 . 2]" 1
1458 1 20 LEU MD2 1 21 PRO QG . . 4.110 3.743 3.446 4.104 . 0 0 "[ . 1 . 2]" 1
1459 1 15 LEU HA 1 15 LEU HG . . 3.430 2.721 2.271 3.661 0.231 15 0 "[ . 1 . 2]" 1
1460 1 57 THR MG 1 58 VAL H . . 3.370 2.027 1.878 2.230 . 0 0 "[ . 1 . 2]" 1
1461 1 57 THR MG 1 106 TRP HH2 . . 3.240 2.132 1.917 2.401 . 0 0 "[ . 1 . 2]" 1
1462 1 57 THR MG 1 59 ARG HA . . 4.750 4.405 4.187 4.632 . 0 0 "[ . 1 . 2]" 1
1463 1 57 THR HA 1 57 THR MG . . 3.360 2.331 2.197 2.446 . 0 0 "[ . 1 . 2]" 1
1464 1 62 THR H 1 62 THR MG . . 2.950 2.469 2.200 2.721 . 0 0 "[ . 1 . 2]" 1
1465 1 62 THR HG1 1 62 THR MG . . 3.370 2.430 2.016 3.032 . 0 0 "[ . 1 . 2]" 1
1466 1 62 THR MG 1 91 TYR QE . . 3.880 3.032 2.568 3.741 . 0 0 "[ . 1 . 2]" 1
1467 1 61 ARG HA 1 62 THR MG . . 4.430 4.185 3.939 4.404 . 0 0 "[ . 1 . 2]" 1
1468 1 62 THR MG 1 86 LYS QE . . 4.700 3.337 3.105 3.868 . 0 0 "[ . 1 . 2]" 1
1469 1 62 THR MG 1 86 LYS QD . . 3.960 3.774 2.941 3.967 0.007 8 0 "[ . 1 . 2]" 1
1470 1 62 THR MG 1 68 ALA MB . . 3.920 3.406 2.939 3.794 . 0 0 "[ . 1 . 2]" 1
1471 1 37 VAL H 1 37 VAL MG2 . . 3.380 2.479 2.237 2.616 . 0 0 "[ . 1 . 2]" 1
1472 1 37 VAL MG2 1 38 SER H . . 4.290 4.177 4.131 4.233 . 0 0 "[ . 1 . 2]" 1
1473 1 36 ARG H 1 37 VAL MG2 . . 5.080 4.417 4.222 4.510 . 0 0 "[ . 1 . 2]" 1
1474 1 28 VAL H 1 37 VAL MG2 . . 4.260 3.599 3.356 3.843 . 0 0 "[ . 1 . 2]" 1
1475 1 37 VAL MG2 1 82 ALA H . . 4.500 3.803 3.541 3.947 . 0 0 "[ . 1 . 2]" 1
1476 1 37 VAL MG2 1 93 PHE QD . . 3.430 2.045 1.839 2.594 . 0 0 "[ . 1 . 2]" 1
1477 1 37 VAL MG2 1 80 TYR QD . . 3.750 3.357 3.115 3.670 . 0 0 "[ . 1 . 2]" 1
1478 1 37 VAL MG2 1 93 PHE QE . . 3.690 2.872 2.605 3.338 . 0 0 "[ . 1 . 2]" 1
1479 1 37 VAL HA 1 37 VAL MG2 . . 3.390 2.362 2.291 2.466 . 0 0 "[ . 1 . 2]" 1
1480 1 36 ARG HA 1 37 VAL MG2 . . 4.050 3.858 3.690 4.055 0.005 13 0 "[ . 1 . 2]" 1
1481 1 37 VAL MG2 1 93 PHE HB3 . . 3.850 2.533 2.325 2.937 . 0 0 "[ . 1 . 2]" 1
1482 1 27 ALA MB 1 37 VAL MG2 . . 3.220 2.728 2.345 3.064 . 0 0 "[ . 1 . 2]" 1
1483 1 35 VAL MG1 1 37 VAL MG2 . . 3.030 1.916 1.808 2.075 . 0 0 "[ . 1 . 2]" 1
1484 1 68 ALA MB 1 69 LYS HA . . 4.700 4.142 3.919 4.488 . 0 0 "[ . 1 . 2]" 1
1485 1 56 TYR H 1 76 THR MG . . 4.130 3.909 3.550 4.136 0.006 20 0 "[ . 1 . 2]" 1
1486 1 76 THR H 1 76 THR MG . . 3.280 2.703 2.162 2.891 . 0 0 "[ . 1 . 2]" 1
1487 1 76 THR HA 1 76 THR MG . . 2.960 2.215 2.110 2.527 . 0 0 "[ . 1 . 2]" 1
1488 1 55 LEU HA 1 76 THR MG . . 3.900 3.371 2.829 3.689 . 0 0 "[ . 1 . 2]" 1
1489 1 57 THR MG 1 73 GLU H . . 3.530 2.768 2.408 3.170 . 0 0 "[ . 1 . 2]" 1
1490 1 57 THR MG 1 106 TRP HZ3 . . 4.060 3.412 2.790 3.931 . 0 0 "[ . 1 . 2]" 1
1491 1 57 THR MG 1 72 SER HB2 . . 3.950 2.857 2.271 3.904 . 0 0 "[ . 1 . 2]" 1
1492 1 57 THR MG 1 74 ASP QB . . 4.440 4.091 3.598 4.422 . 0 0 "[ . 1 . 2]" 1
1493 1 57 THR MG 1 58 VAL HB . . 4.620 4.358 4.240 4.561 . 0 0 "[ . 1 . 2]" 1
1494 1 57 THR MG 1 96 MET HG2 . . 4.080 3.883 3.664 4.083 0.003 4 0 "[ . 1 . 2]" 1
1495 1 34 ALA MB 1 35 VAL H . . 3.190 2.942 2.700 3.131 . 0 0 "[ . 1 . 2]" 1
1496 1 33 ASP H 1 34 ALA MB . . 3.950 3.674 3.601 3.755 . 0 0 "[ . 1 . 2]" 1
1497 1 31 THR H 1 34 ALA MB . . 3.890 1.940 1.880 2.053 . 0 0 "[ . 1 . 2]" 1
1498 1 34 ALA H 1 34 ALA MB . . 3.210 2.746 2.722 2.782 . 0 0 "[ . 1 . 2]" 1
1499 1 34 ALA MB 1 83 THR HA . . 3.850 3.485 3.208 3.717 . 0 0 "[ . 1 . 2]" 1
1500 1 34 ALA MB 1 83 THR HB . . 4.970 4.424 4.136 4.640 . 0 0 "[ . 1 . 2]" 1
1501 1 34 ALA MB 1 35 VAL HA . . 4.250 3.976 3.890 4.038 . 0 0 "[ . 1 . 2]" 1
1502 1 34 ALA MB 1 81 THR HB . . 5.500 5.418 5.285 5.517 0.017 20 0 "[ . 1 . 2]" 1
1503 1 30 LEU QB 1 34 ALA MB . . 3.160 1.908 1.856 1.960 . 0 0 "[ . 1 . 2]" 1
1504 1 34 ALA MB 1 81 THR MG . . 3.040 2.931 2.735 3.024 . 0 0 "[ . 1 . 2]" 1
1505 1 34 ALA MB 1 82 ALA MB . . 5.200 4.950 4.813 5.080 . 0 0 "[ . 1 . 2]" 1
1506 1 34 ALA MB 1 85 LEU MD1 . . 4.130 3.833 3.698 4.002 . 0 0 "[ . 1 . 2]" 1
1507 1 30 LEU HA 1 34 ALA MB . . 4.480 4.324 4.279 4.376 . 0 0 "[ . 1 . 2]" 1
1508 1 62 THR MG 1 86 LYS QB . . 4.180 3.737 3.493 4.016 . 0 0 "[ . 1 . 2]" 1
1509 1 100 ASN HA 1 101 ARG HA . . 5.110 4.812 4.726 4.861 . 0 0 "[ . 1 . 2]" 1
1510 1 100 ASN HA 1 102 ARG H . . 4.870 4.474 4.339 4.810 . 0 0 "[ . 1 . 2]" 1
1511 1 100 ASN HA 1 101 ARG QB . . 4.600 4.058 3.837 4.239 . 0 0 "[ . 1 . 2]" 1
1512 1 71 LYS HA 1 72 SER HA . . 4.950 4.519 4.475 4.579 . 0 0 "[ . 1 . 2]" 1
1513 1 71 LYS HA 1 71 LYS HG3 . . 3.630 2.304 2.169 2.812 . 0 0 "[ . 1 . 2]" 1
1514 1 40 ALA H 1 40 ALA MB . . 3.040 2.414 2.287 2.535 . 0 0 "[ . 1 . 2]" 1
1515 1 40 ALA MB 1 41 ASP H . . 2.970 2.624 2.306 3.003 0.033 20 0 "[ . 1 . 2]" 1
1516 1 23 VAL H 1 40 ALA MB . . 4.140 3.893 3.692 4.118 . 0 0 "[ . 1 . 2]" 1
1517 1 39 TRP HB2 1 40 ALA MB . . 4.450 4.166 4.045 4.307 . 0 0 "[ . 1 . 2]" 1
1518 1 23 VAL HB 1 40 ALA MB . . 5.020 4.734 4.256 5.020 0.000 1 0 "[ . 1 . 2]" 1
1519 1 30 LEU MD2 1 31 THR H . . 4.890 4.637 4.604 4.683 . 0 0 "[ . 1 . 2]" 1
1520 1 35 VAL MG2 1 36 ARG H . . 3.880 3.833 3.773 3.889 0.009 9 0 "[ . 1 . 2]" 1
1521 1 30 LEU H 1 35 VAL MG2 . . 3.490 3.068 2.923 3.185 . 0 0 "[ . 1 . 2]" 1
1522 1 35 VAL H 1 35 VAL MG2 . . 3.710 3.409 3.324 3.461 . 0 0 "[ . 1 . 2]" 1
1523 1 34 ALA H 1 35 VAL MG2 . . 4.710 3.575 3.484 3.695 . 0 0 "[ . 1 . 2]" 1
1524 1 35 VAL MG2 1 91 TYR QE . . 4.920 3.634 3.242 3.990 . 0 0 "[ . 1 . 2]" 1
1525 1 35 VAL MG2 1 114 THR HG1 . . 5.500 5.282 5.061 5.559 0.059 20 0 "[ . 1 . 2]" 1
1526 1 35 VAL MG2 1 115 TYR QE . . 5.500 5.217 4.891 5.497 . 0 0 "[ . 1 . 2]" 1
1527 1 35 VAL MG2 1 93 PHE QE . . 4.090 3.581 3.370 3.820 . 0 0 "[ . 1 . 2]" 1
1528 1 35 VAL MG2 1 93 PHE HZ . . 3.510 3.168 2.781 3.497 . 0 0 "[ . 1 . 2]" 1
1529 1 34 ALA HA 1 35 VAL MG2 . . 4.380 4.090 3.955 4.216 . 0 0 "[ . 1 . 2]" 1
1530 1 27 ALA HA 1 35 VAL MG2 . . 5.500 5.520 5.496 5.566 0.066 20 0 "[ . 1 . 2]" 1
1531 1 35 VAL MG2 1 114 THR HB . . 4.470 4.436 4.306 4.490 0.020 17 0 "[ . 1 . 2]" 1
1532 1 29 ALA HA 1 35 VAL MG2 . . 3.060 2.015 1.969 2.140 . 0 0 "[ . 1 . 2]" 1
1533 1 35 VAL HA 1 35 VAL MG2 . . 3.300 2.101 2.054 2.140 . 0 0 "[ . 1 . 2]" 1
1534 1 35 VAL MG2 1 114 THR HA . . 4.120 3.722 3.617 3.864 . 0 0 "[ . 1 . 2]" 1
1535 1 30 LEU QB 1 35 VAL MG2 . . 5.040 4.681 4.534 4.796 . 0 0 "[ . 1 . 2]" 1
1536 1 30 LEU HG 1 35 VAL MG2 . . 5.340 4.436 4.292 4.576 . 0 0 "[ . 1 . 2]" 1
1537 1 29 ALA MB 1 35 VAL MG2 . . 3.070 2.604 2.440 2.732 . 0 0 "[ . 1 . 2]" 1
1538 1 35 VAL MG2 1 114 THR MG . . 2.890 2.226 2.110 2.374 . 0 0 "[ . 1 . 2]" 1
1539 1 27 ALA MB 1 35 VAL MG2 . . 4.140 4.012 3.915 4.085 . 0 0 "[ . 1 . 2]" 1
1540 1 35 VAL MG2 1 85 LEU MD1 . . 2.950 2.149 2.018 2.265 . 0 0 "[ . 1 . 2]" 1
1541 1 35 VAL MG2 1 93 PHE QD . . 5.500 4.935 4.769 5.163 . 0 0 "[ . 1 . 2]" 1
1542 1 35 VAL MG2 1 115 TYR QD . . 5.500 5.373 5.157 5.510 0.010 11 0 "[ . 1 . 2]" 1
1543 1 35 VAL MG1 1 37 VAL H . . 4.640 3.383 3.097 3.693 . 0 0 "[ . 1 . 2]" 1
1544 1 35 VAL MG1 1 36 ARG H . . 3.290 2.907 2.658 3.011 . 0 0 "[ . 1 . 2]" 1
1545 1 35 VAL H 1 35 VAL MG1 . . 4.140 3.764 3.706 3.836 . 0 0 "[ . 1 . 2]" 1
1546 1 35 VAL MG1 1 93 PHE QD . . 4.060 3.554 3.377 3.851 . 0 0 "[ . 1 . 2]" 1
1547 1 35 VAL MG1 1 80 TYR QD . . 5.500 4.846 4.607 5.056 . 0 0 "[ . 1 . 2]" 1
1548 1 35 VAL MG1 1 91 TYR QE . . 5.500 5.106 4.672 5.400 . 0 0 "[ . 1 . 2]" 1
1549 1 35 VAL MG1 1 93 PHE QE . . 3.900 2.855 2.498 3.163 . 0 0 "[ . 1 . 2]" 1
1550 1 27 ALA HA 1 35 VAL MG1 . . 3.720 3.453 3.391 3.560 . 0 0 "[ . 1 . 2]" 1
1551 1 35 VAL MG1 1 36 ARG HA . . 4.200 3.747 3.676 3.846 . 0 0 "[ . 1 . 2]" 1
1552 1 29 ALA HA 1 35 VAL MG1 . . 3.560 3.111 3.026 3.251 . 0 0 "[ . 1 . 2]" 1
1553 1 35 VAL MG1 1 37 VAL HB . . 4.940 4.207 3.934 4.364 . 0 0 "[ . 1 . 2]" 1
1554 1 30 LEU HG 1 35 VAL MG1 . . 4.610 4.455 4.353 4.545 . 0 0 "[ . 1 . 2]" 1
1555 1 35 VAL MG1 1 112 ALA MB . . 3.170 2.885 2.488 3.112 . 0 0 "[ . 1 . 2]" 1
1556 1 27 ALA MB 1 35 VAL MG1 . . 2.870 2.725 2.621 2.862 . 0 0 "[ . 1 . 2]" 1
1557 1 39 TRP HH2 1 78 LEU HA . . 5.110 3.875 3.597 4.053 . 0 0 "[ . 1 . 2]" 1
1558 1 39 TRP HD1 1 78 LEU HA . . 4.970 4.517 4.348 4.765 . 0 0 "[ . 1 . 2]" 1
1559 1 37 VAL H 1 37 VAL MG1 . . 3.820 3.801 3.777 3.826 0.006 6 0 "[ . 1 . 2]" 1
1560 1 37 VAL MG1 1 38 SER H . . 3.130 3.003 2.810 3.096 . 0 0 "[ . 1 . 2]" 1
1561 1 27 ALA H 1 37 VAL MG1 . . 4.770 4.532 4.227 4.731 . 0 0 "[ . 1 . 2]" 1
1562 1 28 VAL H 1 37 VAL MG1 . . 5.050 4.352 4.136 4.529 . 0 0 "[ . 1 . 2]" 1
1563 1 37 VAL MG1 1 39 TRP H . . 4.740 4.501 4.219 4.786 0.046 19 0 "[ . 1 . 2]" 1
1564 1 37 VAL MG1 1 93 PHE QD . . 3.940 3.315 2.931 3.736 . 0 0 "[ . 1 . 2]" 1
1565 1 37 VAL MG1 1 39 TRP HE3 . . 2.940 2.308 2.047 2.592 . 0 0 "[ . 1 . 2]" 1
1566 1 37 VAL MG1 1 39 TRP HZ3 . . 3.200 2.857 2.449 3.059 . 0 0 "[ . 1 . 2]" 1
1567 1 37 VAL HA 1 37 VAL MG1 . . 3.110 2.396 2.227 2.460 . 0 0 "[ . 1 . 2]" 1
1568 1 25 VAL HA 1 37 VAL MG1 . . 4.840 4.285 4.102 4.453 . 0 0 "[ . 1 . 2]" 1
1569 1 26 GLN HA 1 37 VAL MG1 . . 5.390 4.808 4.594 5.073 . 0 0 "[ . 1 . 2]" 1
1570 1 37 VAL MG1 1 79 SER HA . . 4.710 4.439 4.270 4.669 . 0 0 "[ . 1 . 2]" 1
1571 1 37 VAL MG1 1 39 TRP HB3 . . 3.970 3.814 3.605 3.989 0.019 5 0 "[ . 1 . 2]" 1
1572 1 37 VAL MG1 1 93 PHE HB3 . . 3.740 2.617 2.190 2.912 . 0 0 "[ . 1 . 2]" 1
1573 1 37 VAL MG1 1 80 TYR HB3 . . 4.340 4.132 3.902 4.287 . 0 0 "[ . 1 . 2]" 1
1574 1 37 VAL MG1 1 110 ALA MB . . 3.700 3.447 3.097 3.693 . 0 0 "[ . 1 . 2]" 1
1575 1 27 ALA MB 1 37 VAL MG1 . . 3.330 3.017 2.605 3.279 . 0 0 "[ . 1 . 2]" 1
1576 1 37 VAL MG1 1 95 VAL MG2 . . 3.200 2.738 2.538 2.949 . 0 0 "[ . 1 . 2]" 1
1577 1 35 VAL MG1 1 37 VAL MG1 . . 4.310 4.072 3.959 4.145 . 0 0 "[ . 1 . 2]" 1
1578 1 37 VAL MG1 1 95 VAL MG1 . . 4.910 4.638 4.363 4.837 . 0 0 "[ . 1 . 2]" 1
1579 1 83 THR MG 1 84 GLY H . . 3.870 3.824 3.702 3.876 0.006 6 0 "[ . 1 . 2]" 1
1580 1 35 VAL H 1 83 THR MG . . 4.350 4.045 3.812 4.259 . 0 0 "[ . 1 . 2]" 1
1581 1 83 THR H 1 83 THR MG . . 3.350 2.505 2.342 2.641 . 0 0 "[ . 1 . 2]" 1
1582 1 34 ALA HA 1 83 THR MG . . 3.920 3.370 3.031 3.598 . 0 0 "[ . 1 . 2]" 1
1583 1 83 THR HA 1 83 THR MG . . 3.000 2.399 2.273 2.490 . 0 0 "[ . 1 . 2]" 1
1584 1 81 THR HB 1 83 THR MG . . 3.970 3.104 2.948 3.314 . 0 0 "[ . 1 . 2]" 1
1585 1 81 THR MG 1 83 THR MG . . 2.830 2.152 1.906 2.324 . 0 0 "[ . 1 . 2]" 1
1586 1 36 ARG H 1 81 THR MG . . 4.860 4.199 3.985 4.327 . 0 0 "[ . 1 . 2]" 1
1587 1 35 VAL H 1 81 THR MG . . 3.830 3.021 2.651 3.263 . 0 0 "[ . 1 . 2]" 1
1588 1 81 THR MG 1 83 THR HA . . 4.480 4.087 3.901 4.211 . 0 0 "[ . 1 . 2]" 1
1589 1 81 THR HA 1 81 THR MG . . 3.030 2.181 2.122 2.388 . 0 0 "[ . 1 . 2]" 1
1590 1 81 THR MG 1 82 ALA HA . . 4.760 4.374 4.174 4.492 . 0 0 "[ . 1 . 2]" 1
1591 1 30 LEU QB 1 81 THR MG . . 4.040 3.807 3.685 3.924 . 0 0 "[ . 1 . 2]" 1
1592 1 30 LEU HG 1 81 THR MG . . 4.400 3.849 3.636 3.964 . 0 0 "[ . 1 . 2]" 1
1593 1 80 TYR QD 1 81 THR MG . . 5.190 5.111 4.916 5.217 0.027 13 0 "[ . 1 . 2]" 1
1594 1 35 VAL HA 1 81 THR MG . . 4.820 4.540 4.284 4.717 . 0 0 "[ . 1 . 2]" 1
1595 1 95 VAL H 1 96 MET HA . . 5.150 4.907 4.809 5.088 . 0 0 "[ . 1 . 2]" 1
1596 1 96 MET HA 1 107 SER H . . 4.850 3.902 3.366 4.408 . 0 0 "[ . 1 . 2]" 1
1597 1 96 MET HA 1 104 SER HG . . 4.080 3.901 3.480 4.117 0.037 16 0 "[ . 1 . 2]" 1
1598 1 22 PRO HD3 1 96 MET HA . . 4.470 2.737 2.317 3.013 . 0 0 "[ . 1 . 2]" 1
1599 1 22 PRO HD2 1 96 MET HA . . 4.210 2.568 2.276 2.869 . 0 0 "[ . 1 . 2]" 1
1600 1 78 LEU HA 1 78 LEU MD1 . . 4.020 3.918 3.863 3.963 . 0 0 "[ . 1 . 2]" 1
1601 1 25 VAL MG2 1 39 TRP HE3 . . 5.040 4.771 4.596 5.032 . 0 0 "[ . 1 . 2]" 1
1602 1 25 VAL MG2 1 26 GLN H . . 4.340 4.228 4.163 4.321 . 0 0 "[ . 1 . 2]" 1
1603 1 25 VAL MG2 1 107 SER HG . . 4.300 1.950 1.803 2.204 . 0 0 "[ . 1 . 2]" 1
1604 1 25 VAL MG2 1 39 TRP HA . . 4.380 4.169 3.845 4.349 . 0 0 "[ . 1 . 2]" 1
1605 1 25 VAL HA 1 25 VAL MG2 . . 3.200 2.462 2.289 2.551 . 0 0 "[ . 1 . 2]" 1
1606 1 25 VAL MG2 1 39 TRP HB3 . . 4.010 2.931 2.646 3.139 . 0 0 "[ . 1 . 2]" 1
1607 1 25 VAL MG2 1 95 VAL MG1 . . 4.820 4.090 3.642 4.391 . 0 0 "[ . 1 . 2]" 1
1608 1 81 THR MG 1 82 ALA H . . 3.350 3.010 2.713 3.283 . 0 0 "[ . 1 . 2]" 1
1609 1 34 ALA HA 1 81 THR MG . . 4.180 3.729 3.376 3.939 . 0 0 "[ . 1 . 2]" 1
1610 1 81 THR MG 1 82 ALA MB . . 4.450 4.241 4.127 4.342 . 0 0 "[ . 1 . 2]" 1
1611 1 30 LEU H 1 81 THR MG . . 5.060 5.021 4.801 5.067 0.007 2 0 "[ . 1 . 2]" 1
1612 1 59 ARG H 1 95 VAL MG2 . . 4.800 4.635 4.214 4.818 0.018 19 0 "[ . 1 . 2]" 1
1613 1 26 GLN H 1 95 VAL MG2 . . 5.500 4.985 4.528 5.218 . 0 0 "[ . 1 . 2]" 1
1614 1 95 VAL MG2 1 107 SER H . . 5.500 5.030 4.726 5.389 . 0 0 "[ . 1 . 2]" 1
1615 1 95 VAL H 1 95 VAL MG2 . . 3.620 2.825 2.488 3.061 . 0 0 "[ . 1 . 2]" 1
1616 1 94 SER H 1 95 VAL MG2 . . 4.300 3.913 3.691 4.119 . 0 0 "[ . 1 . 2]" 1
1617 1 57 THR H 1 95 VAL MG2 . . 5.500 5.469 5.267 5.523 0.023 20 0 "[ . 1 . 2]" 1
1618 1 39 TRP HE3 1 95 VAL MG2 . . 3.610 2.602 2.237 2.769 . 0 0 "[ . 1 . 2]" 1
1619 1 39 TRP HZ3 1 95 VAL MG2 . . 4.390 3.195 2.900 3.332 . 0 0 "[ . 1 . 2]" 1
1620 1 39 TRP HH2 1 95 VAL MG2 . . 4.990 3.767 3.420 4.034 . 0 0 "[ . 1 . 2]" 1
1621 1 95 VAL HA 1 95 VAL MG2 . . 3.530 2.453 2.342 2.527 . 0 0 "[ . 1 . 2]" 1
1622 1 94 SER HA 1 95 VAL MG2 . . 3.760 3.206 3.031 3.373 . 0 0 "[ . 1 . 2]" 1
1623 1 39 TRP HB3 1 95 VAL MG2 . . 4.100 2.790 2.335 3.157 . 0 0 "[ . 1 . 2]" 1
1624 1 39 TRP HB2 1 95 VAL MG2 . . 4.870 3.779 3.445 4.157 . 0 0 "[ . 1 . 2]" 1
1625 1 56 TYR HB3 1 95 VAL MG2 . . 4.740 4.597 4.316 4.777 0.037 2 0 "[ . 1 . 2]" 1
1626 1 58 VAL HB 1 95 VAL MG2 . . 5.050 4.881 4.499 5.078 0.028 13 0 "[ . 1 . 2]" 1
1627 1 22 PRO HG2 1 95 VAL MG2 . . 4.270 3.899 3.584 4.265 . 0 0 "[ . 1 . 2]" 1
1628 1 22 PRO HG3 1 95 VAL MG2 . . 4.270 3.716 3.456 3.975 . 0 0 "[ . 1 . 2]" 1
1629 1 25 VAL MG2 1 95 VAL MG2 . . 3.400 2.928 2.639 3.242 . 0 0 "[ . 1 . 2]" 1
1630 1 105 THR H 1 105 THR MG . . 2.980 2.150 2.021 2.677 . 0 0 "[ . 1 . 2]" 1
1631 1 104 SER HG 1 105 THR MG . . 4.440 3.228 2.859 3.579 . 0 0 "[ . 1 . 2]" 1
1632 1 21 PRO HD3 1 105 THR MG . . 3.720 2.547 2.168 2.959 . 0 0 "[ . 1 . 2]" 1
1633 1 22 PRO HD2 1 105 THR MG . . 5.260 4.934 4.384 5.257 . 0 0 "[ . 1 . 2]" 1
1634 1 105 THR MG 1 106 TRP HB3 . . 5.500 5.467 5.322 5.519 0.019 10 0 "[ . 1 . 2]" 1
1635 1 105 THR MG 1 106 TRP HB2 . . 5.150 4.840 4.697 4.943 . 0 0 "[ . 1 . 2]" 1
1636 1 21 PRO HB3 1 105 THR MG . . 3.860 2.729 2.179 3.170 . 0 0 "[ . 1 . 2]" 1
1637 1 21 PRO QG 1 105 THR MG . . 3.340 1.994 1.766 2.209 . 0 0 "[ . 1 . 2]" 1
1638 1 25 VAL MG1 1 39 TRP HE3 . . 5.040 3.509 2.936 3.992 . 0 0 "[ . 1 . 2]" 1
1639 1 25 VAL MG1 1 107 SER HG . . 4.300 3.878 3.261 4.322 0.022 8 0 "[ . 1 . 2]" 1
1640 1 25 VAL MG1 1 39 TRP HA . . 4.380 4.126 3.644 4.381 0.001 13 0 "[ . 1 . 2]" 1
1641 1 25 VAL HA 1 25 VAL MG1 . . 3.200 2.234 2.090 2.372 . 0 0 "[ . 1 . 2]" 1
1642 1 25 VAL MG1 1 39 TRP HB3 . . 4.010 2.666 2.073 3.041 . 0 0 "[ . 1 . 2]" 1
1643 1 25 VAL MG1 1 95 VAL MG2 . . 3.400 2.316 2.024 2.607 . 0 0 "[ . 1 . 2]" 1
1644 1 25 VAL MG1 1 95 VAL MG1 . . 4.820 4.370 4.063 4.714 . 0 0 "[ . 1 . 2]" 1
1645 1 29 ALA HA 1 30 LEU MD1 . . 5.310 4.880 4.655 4.988 . 0 0 "[ . 1 . 2]" 1
1646 1 29 ALA HA 1 30 LEU MD2 . . 5.500 4.663 4.490 4.795 . 0 0 "[ . 1 . 2]" 1
1647 1 85 LEU HA 1 91 TYR QE . . 4.440 4.199 4.107 4.477 0.037 12 0 "[ . 1 . 2]" 1
1648 1 28 VAL H 1 28 VAL QG . . 3.060 2.296 2.152 2.490 . 0 0 "[ . 1 . 2]" 1
1649 1 26 GLN HG3 1 28 VAL QG . . 4.000 3.168 2.105 3.903 . 0 0 "[ . 1 . 2]" 1
1650 1 88 ASN HA 1 114 THR HG1 . . 4.540 4.033 3.244 4.534 . 0 0 "[ . 1 . 2]" 1
1651 1 87 PRO HA 1 88 ASN HA . . 4.470 4.418 4.390 4.439 . 0 0 "[ . 1 . 2]" 1
1652 1 29 ALA HA 1 36 ARG H . . 4.100 3.295 3.126 3.476 . 0 0 "[ . 1 . 2]" 1
1653 1 29 ALA HA 1 30 LEU H . . 3.350 2.149 2.143 2.156 . 0 0 "[ . 1 . 2]" 1
1654 1 29 ALA HA 1 31 THR H . . 4.180 4.104 4.059 4.178 . 0 0 "[ . 1 . 2]" 1
1655 1 29 ALA HA 1 30 LEU HG . . 4.040 3.725 3.607 3.822 . 0 0 "[ . 1 . 2]" 1
1656 1 91 TYR H 1 113 THR MG . . 5.220 5.008 4.800 5.126 . 0 0 "[ . 1 . 2]" 1
1657 1 90 MET H 1 113 THR MG . . 3.880 2.883 2.667 3.076 . 0 0 "[ . 1 . 2]" 1
1658 1 89 THR H 1 113 THR MG . . 3.590 3.264 3.038 3.433 . 0 0 "[ . 1 . 2]" 1
1659 1 88 ASN H 1 113 THR MG . . 4.750 4.394 4.041 4.641 . 0 0 "[ . 1 . 2]" 1
1660 1 89 THR HG1 1 113 THR MG . . 5.500 5.066 4.809 5.371 . 0 0 "[ . 1 . 2]" 1
1661 1 91 TYR QE 1 113 THR MG . . 5.500 5.340 4.993 5.501 0.001 5 0 "[ . 1 . 2]" 1
1662 1 113 THR MG 1 114 THR HG1 . . 4.510 4.396 3.842 4.528 0.018 19 0 "[ . 1 . 2]" 1
1663 1 113 THR HA 1 113 THR MG . . 3.020 2.151 2.061 2.307 . 0 0 "[ . 1 . 2]" 1
1664 1 90 MET HA 1 113 THR MG . . 3.530 3.099 2.858 3.228 . 0 0 "[ . 1 . 2]" 1
1665 1 88 ASN HA 1 113 THR MG . . 3.350 3.106 2.973 3.296 . 0 0 "[ . 1 . 2]" 1
1666 1 88 ASN HB2 1 113 THR MG . . 5.340 4.837 4.330 5.323 . 0 0 "[ . 1 . 2]" 1
1667 1 90 MET HG2 1 113 THR MG . . 4.910 4.478 3.958 4.793 . 0 0 "[ . 1 . 2]" 1
1668 1 90 MET HG3 1 113 THR MG . . 4.200 3.982 3.660 4.134 . 0 0 "[ . 1 . 2]" 1
1669 1 88 ASN HB3 1 113 THR MG . . 5.340 5.106 4.842 5.353 0.013 2 0 "[ . 1 . 2]" 1
1670 1 90 MET HB2 1 113 THR MG . . 3.740 2.125 1.948 2.274 . 0 0 "[ . 1 . 2]" 1
1671 1 89 THR MG 1 114 THR H . . 5.500 5.306 5.060 5.471 . 0 0 "[ . 1 . 2]" 1
1672 1 89 THR MG 1 90 MET H . . 3.170 2.483 2.165 2.742 . 0 0 "[ . 1 . 2]" 1
1673 1 89 THR MG 1 91 TYR QE . . 3.420 1.925 1.884 2.022 . 0 0 "[ . 1 . 2]" 1
1674 1 89 THR HA 1 89 THR MG . . 3.060 2.297 2.186 2.418 . 0 0 "[ . 1 . 2]" 1
1675 1 86 LYS QE 1 89 THR MG . . 4.450 2.780 1.915 3.632 . 0 0 "[ . 1 . 2]" 1
1676 1 86 LYS QB 1 89 THR MG . . 3.450 2.837 2.674 3.099 . 0 0 "[ . 1 . 2]" 1
1677 1 62 THR MG 1 89 THR MG . . 2.820 2.716 2.361 2.864 0.044 20 0 "[ . 1 . 2]" 1
1678 1 98 THR MG 1 99 LYS H . . 3.200 3.138 2.739 3.239 0.039 9 0 "[ . 1 . 2]" 1
1679 1 98 THR H 1 98 THR MG . . 4.260 3.852 3.796 3.889 . 0 0 "[ . 1 . 2]" 1
1680 1 98 THR MG 1 103 SER H . . 4.490 3.574 3.435 3.819 . 0 0 "[ . 1 . 2]" 1
1681 1 98 THR HA 1 98 THR MG . . 3.180 2.405 2.332 2.454 . 0 0 "[ . 1 . 2]" 1
1682 1 85 LEU MD2 1 86 LYS H . . 3.970 3.861 3.649 4.011 0.041 12 0 "[ . 1 . 2]" 1
1683 1 35 VAL MG2 1 85 LEU MD2 . . 4.200 4.055 3.847 4.223 0.023 20 0 "[ . 1 . 2]" 1
1684 1 85 LEU MD2 1 91 TYR QE . . 3.490 2.645 2.293 3.011 . 0 0 "[ . 1 . 2]" 1
1685 1 60 TRP HD1 1 85 LEU MD2 . . 3.460 3.094 2.611 3.454 . 0 0 "[ . 1 . 2]" 1
1686 1 85 LEU MD2 1 93 PHE HZ . . 4.500 3.323 2.893 3.728 . 0 0 "[ . 1 . 2]" 1
1687 1 33 ASP HA 1 85 LEU MD2 . . 4.850 4.711 4.560 4.854 0.004 11 0 "[ . 1 . 2]" 1
1688 1 85 LEU HA 1 85 LEU MD2 . . 2.880 2.479 2.299 2.735 . 0 0 "[ . 1 . 2]" 1
1689 1 85 LEU MD2 1 86 LYS QB . . 5.360 5.214 5.007 5.365 0.005 12 0 "[ . 1 . 2]" 1
1690 1 85 LEU HB2 1 85 LEU MD2 . . 3.310 3.156 3.126 3.174 . 0 0 "[ . 1 . 2]" 1
1691 1 85 LEU HB3 1 85 LEU MD2 . . 3.310 2.194 2.054 2.301 . 0 0 "[ . 1 . 2]" 1
1692 1 61 ARG HE 1 68 ALA MB . . 5.060 3.698 1.694 4.957 . 0 0 "[ . 1 . 2]" 1
1693 1 68 ALA MB 1 70 TYR QE . . 5.420 4.841 2.854 5.436 0.016 5 0 "[ . 1 . 2]" 1
1694 1 32 HIS HD2 1 117 ALA HA . . 4.740 4.575 4.215 4.739 . 0 0 "[ . 1 . 2]" 1
1695 1 32 HIS HA 1 117 ALA HA . . 5.220 5.070 4.905 5.225 0.005 14 0 "[ . 1 . 2]" 1
1696 1 32 HIS HB2 1 117 ALA HA . . 3.620 3.479 3.249 3.622 0.002 2 0 "[ . 1 . 2]" 1
1697 1 32 HIS HB3 1 117 ALA HA . . 3.440 2.800 2.622 3.072 . 0 0 "[ . 1 . 2]" 1
1698 1 115 TYR HB2 1 117 ALA HA . . 5.260 5.078 4.906 5.266 0.006 2 0 "[ . 1 . 2]" 1
1699 1 87 PRO HB3 1 117 ALA HA . . 4.030 3.777 3.532 4.050 0.020 2 0 "[ . 1 . 2]" 1
1700 1 62 THR H 1 68 ALA MB . . 3.680 3.341 2.918 3.731 0.051 6 0 "[ . 1 . 2]" 1
1701 1 62 THR HB 1 68 ALA MB . . 4.130 3.972 3.326 4.265 0.135 15 0 "[ . 1 . 2]" 1
1702 1 65 SER HB2 1 68 ALA MB . . 3.650 3.368 2.671 3.623 . 0 0 "[ . 1 . 2]" 1
1703 1 75 THR H 1 75 THR MG . . 3.210 2.257 2.139 2.435 . 0 0 "[ . 1 . 2]" 1
1704 1 56 TYR H 1 75 THR MG . . 4.420 3.912 3.618 4.199 . 0 0 "[ . 1 . 2]" 1
1705 1 39 TRP HZ2 1 75 THR MG . . 3.210 3.082 2.887 3.211 0.001 12 0 "[ . 1 . 2]" 1
1706 1 75 THR MG 1 80 TYR QD . . 3.380 3.026 2.240 3.332 . 0 0 "[ . 1 . 2]" 1
1707 1 39 TRP HH2 1 75 THR MG . . 3.100 2.385 2.097 2.603 . 0 0 "[ . 1 . 2]" 1
1708 1 74 ASP HA 1 75 THR MG . . 4.170 3.811 3.484 4.028 . 0 0 "[ . 1 . 2]" 1
1709 1 75 THR HA 1 75 THR MG . . 3.700 3.191 3.181 3.203 . 0 0 "[ . 1 . 2]" 1
1710 1 75 THR MG 1 77 SER QB . . 4.110 3.621 3.257 4.027 . 0 0 "[ . 1 . 2]" 1
1711 1 75 THR MG 1 80 TYR HB2 . . 3.280 2.479 2.316 2.703 . 0 0 "[ . 1 . 2]" 1
1712 1 56 TYR HB2 1 75 THR MG . . 3.360 2.952 2.723 3.167 . 0 0 "[ . 1 . 2]" 1
1713 1 56 TYR HB3 1 75 THR MG . . 3.450 3.239 3.081 3.480 0.030 15 0 "[ . 1 . 2]" 1
1714 1 58 VAL MG2 1 75 THR MG . . 3.270 2.212 1.909 2.537 . 0 0 "[ . 1 . 2]" 1
1715 1 75 THR MG 1 95 VAL MG1 . . 4.480 4.175 3.935 4.489 0.009 20 0 "[ . 1 . 2]" 1
1716 1 117 ALA H 1 117 ALA MB . . 2.780 2.115 2.031 2.255 . 0 0 "[ . 1 . 2]" 1
1717 1 88 ASN H 1 117 ALA MB . . 4.880 4.591 4.358 4.820 . 0 0 "[ . 1 . 2]" 1
1718 1 87 PRO HA 1 117 ALA MB . . 4.220 4.051 3.959 4.174 . 0 0 "[ . 1 . 2]" 1
1719 1 32 HIS HA 1 117 ALA MB . . 5.140 4.994 4.778 5.149 0.009 14 0 "[ . 1 . 2]" 1
1720 1 87 PRO HD2 1 117 ALA MB . . 5.060 4.688 4.475 4.949 . 0 0 "[ . 1 . 2]" 1
1721 1 32 HIS HB2 1 117 ALA MB . . 3.550 3.017 2.733 3.211 . 0 0 "[ . 1 . 2]" 1
1722 1 87 PRO HB2 1 117 ALA MB . . 3.220 2.222 1.998 2.491 . 0 0 "[ . 1 . 2]" 1
1723 1 32 HIS HD2 1 117 ALA MB . . 3.610 3.400 2.994 3.615 0.005 11 0 "[ . 1 . 2]" 1
1724 1 29 ALA H 1 29 ALA MB . . 2.800 2.317 2.204 2.370 . 0 0 "[ . 1 . 2]" 1
1725 1 29 ALA MB 1 30 LEU H . . 3.500 3.334 3.278 3.387 . 0 0 "[ . 1 . 2]" 1
1726 1 29 ALA MB 1 31 THR H . . 4.200 4.045 3.938 4.157 . 0 0 "[ . 1 . 2]" 1
1727 1 29 ALA MB 1 115 TYR QD . . 3.810 3.539 3.231 3.704 . 0 0 "[ . 1 . 2]" 1
1728 1 29 ALA MB 1 114 THR HB . . 4.660 4.480 4.289 4.662 0.002 3 0 "[ . 1 . 2]" 1
1729 1 29 ALA MB 1 114 THR HA . . 3.020 2.635 2.461 2.815 . 0 0 "[ . 1 . 2]" 1
1730 1 27 ALA MB 1 29 ALA MB . . 5.400 4.814 4.688 4.944 . 0 0 "[ . 1 . 2]" 1
1731 1 29 ALA MB 1 30 LEU MD2 . . 5.500 5.093 4.966 5.212 . 0 0 "[ . 1 . 2]" 1
1732 1 29 ALA MB 1 35 VAL MG1 . . 3.910 3.832 3.710 3.914 0.004 6 0 "[ . 1 . 2]" 1
1733 1 33 ASP HA 1 85 LEU H . . 4.410 2.584 2.295 2.849 . 0 0 "[ . 1 . 2]" 1
1734 1 33 ASP HA 1 85 LEU HG . . 4.550 3.482 3.238 3.741 . 0 0 "[ . 1 . 2]" 1
1735 1 65 SER HA 1 66 ALA MB . . 4.530 3.945 3.776 4.181 . 0 0 "[ . 1 . 2]" 1
1736 1 66 ALA MB 1 67 SER HA . . 4.530 4.154 3.703 4.548 0.018 8 0 "[ . 1 . 2]" 1
1737 1 44 VAL H 1 45 PRO HD2 . . 4.970 4.630 4.243 4.806 . 0 0 "[ . 1 . 2]" 1
1738 1 45 PRO HD2 1 48 GLN QG . . 4.800 3.069 2.095 3.702 . 0 0 "[ . 1 . 2]" 1
1739 1 44 VAL HA 1 45 PRO HD3 . . 2.940 2.396 2.256 2.748 . 0 0 "[ . 1 . 2]" 1
1740 1 45 PRO HD3 1 48 GLN QG . . 4.800 4.326 3.634 4.804 0.004 4 0 "[ . 1 . 2]" 1
1741 1 97 VAL MG2 1 98 THR H . . 4.220 2.121 1.887 2.389 . 0 0 "[ . 1 . 2]" 1
1742 1 97 VAL HA 1 97 VAL MG2 . . 3.700 2.375 2.247 2.532 . 0 0 "[ . 1 . 2]" 1
1743 1 23 VAL MG2 1 24 GLY H . . 4.090 2.871 1.865 3.115 . 0 0 "[ . 1 . 2]" 1
1744 1 23 VAL H 1 23 VAL MG2 . . 3.490 2.345 1.941 2.556 . 0 0 "[ . 1 . 2]" 1
1745 1 23 VAL MG2 1 42 ASN HD21 . . 4.900 2.502 1.832 4.171 . 0 0 "[ . 1 . 2]" 1
1746 1 23 VAL MG2 1 42 ASN HB3 . . 4.880 3.651 3.040 4.187 . 0 0 "[ . 1 . 2]" 1
1747 1 23 VAL MG2 1 42 ASN HB2 . . 4.630 2.372 1.959 2.827 . 0 0 "[ . 1 . 2]" 1
1748 1 86 LYS H 1 87 PRO HD3 . . 5.100 4.848 4.790 4.899 . 0 0 "[ . 1 . 2]" 1
1749 1 86 LYS QB 1 87 PRO HD3 . . 4.380 4.260 4.197 4.310 . 0 0 "[ . 1 . 2]" 1
1750 1 87 PRO HD3 1 117 ALA MB . . 5.000 4.089 3.906 4.326 . 0 0 "[ . 1 . 2]" 1
1751 1 17 THR HA 1 18 PRO HD2 . . 2.850 2.333 2.267 2.425 . 0 0 "[ . 1 . 2]" 1
1752 1 17 THR MG 1 18 PRO HD2 . . 3.980 3.054 2.612 3.267 . 0 0 "[ . 1 . 2]" 1
1753 1 12 VAL HA 1 13 PRO HD2 . . 2.930 2.142 1.944 2.342 . 0 0 "[ . 1 . 2]" 1
1754 1 17 THR HA 1 18 PRO HD3 . . 2.850 2.279 2.262 2.310 . 0 0 "[ . 1 . 2]" 1
1755 1 12 VAL HA 1 13 PRO HD3 . . 2.930 2.330 2.253 3.205 0.275 18 0 "[ . 1 . 2]" 1
1756 1 17 THR MG 1 18 PRO HD3 . . 3.980 3.828 3.517 3.983 0.003 17 0 "[ . 1 . 2]" 1
1757 1 17 THR HB 1 18 PRO HD3 . . 3.660 3.558 3.457 3.659 . 0 0 "[ . 1 . 2]" 1
1758 1 86 LYS QE 1 87 PRO HD2 . . 4.950 4.430 4.178 4.709 . 0 0 "[ . 1 . 2]" 1
1759 1 86 LYS HG3 1 87 PRO HD2 . . 4.230 2.184 1.990 2.566 . 0 0 "[ . 1 . 2]" 1
1760 1 86 LYS H 1 87 PRO HD2 . . 5.090 4.836 4.819 4.844 . 0 0 "[ . 1 . 2]" 1
1761 1 82 ALA H 1 82 ALA MB . . 3.070 2.223 2.051 2.323 . 0 0 "[ . 1 . 2]" 1
1762 1 35 VAL H 1 82 ALA MB . . 3.690 3.024 2.759 3.227 . 0 0 "[ . 1 . 2]" 1
1763 1 60 TRP HZ2 1 82 ALA MB . . 4.250 3.683 3.359 4.035 . 0 0 "[ . 1 . 2]" 1
1764 1 60 TRP HE3 1 82 ALA MB . . 5.100 4.355 4.077 4.626 . 0 0 "[ . 1 . 2]" 1
1765 1 82 ALA MB 1 93 PHE QD . . 4.060 3.804 3.465 4.064 0.004 17 0 "[ . 1 . 2]" 1
1766 1 80 TYR QD 1 82 ALA MB . . 3.510 3.030 2.834 3.261 . 0 0 "[ . 1 . 2]" 1
1767 1 80 TYR QE 1 82 ALA MB . . 3.080 2.505 2.122 2.784 . 0 0 "[ . 1 . 2]" 1
1768 1 82 ALA MB 1 93 PHE HZ . . 3.790 3.245 2.870 3.583 . 0 0 "[ . 1 . 2]" 1
1769 1 34 ALA HA 1 82 ALA MB . . 4.360 4.057 3.894 4.190 . 0 0 "[ . 1 . 2]" 1
1770 1 81 THR HA 1 82 ALA MB . . 4.140 4.014 3.946 4.072 . 0 0 "[ . 1 . 2]" 1
1771 1 35 VAL HA 1 82 ALA MB . . 4.640 4.504 4.270 4.667 0.027 11 0 "[ . 1 . 2]" 1
1772 1 60 TRP HB3 1 82 ALA MB . . 4.910 4.447 3.979 4.818 . 0 0 "[ . 1 . 2]" 1
1773 1 35 VAL HB 1 82 ALA MB . . 3.440 2.229 1.955 2.536 . 0 0 "[ . 1 . 2]" 1
1774 1 82 ALA MB 1 85 LEU HG . . 3.690 3.521 3.208 3.701 0.011 12 0 "[ . 1 . 2]" 1
1775 1 35 VAL MG2 1 82 ALA MB . . 3.750 3.558 3.299 3.720 . 0 0 "[ . 1 . 2]" 1
1776 1 82 ALA MB 1 85 LEU MD1 . . 3.060 2.030 1.919 2.334 . 0 0 "[ . 1 . 2]" 1
1777 1 82 ALA MB 1 83 THR HA . . 4.790 4.247 4.172 4.296 . 0 0 "[ . 1 . 2]" 1
1778 1 60 TRP HZ2 1 82 ALA HA . . 4.960 4.003 3.657 4.338 . 0 0 "[ . 1 . 2]" 1
1779 1 81 THR H 1 82 ALA HA . . 5.500 4.921 4.681 5.103 . 0 0 "[ . 1 . 2]" 1
1780 1 82 ALA HA 1 83 THR HA . . 4.720 4.425 4.411 4.446 . 0 0 "[ . 1 . 2]" 1
1781 1 60 TRP HH2 1 82 ALA HA . . 4.820 4.337 4.053 4.726 . 0 0 "[ . 1 . 2]" 1
1782 1 80 TYR QD 1 82 ALA HA . . 4.180 3.668 3.557 3.777 . 0 0 "[ . 1 . 2]" 1
1783 1 82 ALA HA 1 83 THR MG . . 4.070 3.882 3.677 4.069 . 0 0 "[ . 1 . 2]" 1
1784 1 21 PRO HD2 1 105 THR H . . 5.500 5.492 5.283 5.626 0.126 19 0 "[ . 1 . 2]" 1
1785 1 21 PRO HB3 1 22 PRO HD3 . . 4.670 3.799 3.703 3.915 . 0 0 "[ . 1 . 2]" 1
1786 1 22 PRO HD2 1 97 VAL H . . 4.740 4.600 4.357 4.769 0.029 20 0 "[ . 1 . 2]" 1
1787 1 22 PRO HD2 1 104 SER HG . . 5.050 4.721 4.205 5.069 0.019 19 0 "[ . 1 . 2]" 1
1788 1 21 PRO HB2 1 22 PRO HD2 . . 3.790 2.123 1.956 2.327 . 0 0 "[ . 1 . 2]" 1
1789 1 22 PRO HD2 1 95 VAL MG1 . . 4.650 3.851 3.514 4.377 . 0 0 "[ . 1 . 2]" 1
1790 1 20 LEU H 1 21 PRO HD3 . . 4.740 4.234 3.953 4.586 . 0 0 "[ . 1 . 2]" 1
1791 1 21 PRO HD3 1 105 THR H . . 4.750 3.757 3.528 3.911 . 0 0 "[ . 1 . 2]" 1
1792 1 20 LEU HA 1 21 PRO HD3 . . 3.180 2.382 2.294 2.455 . 0 0 "[ . 1 . 2]" 1
1793 1 20 LEU MD2 1 21 PRO HD3 . . 3.930 3.543 3.271 3.936 0.006 14 0 "[ . 1 . 2]" 1
1794 1 20 LEU MD1 1 21 PRO HD3 . . 4.270 3.600 3.393 3.817 . 0 0 "[ . 1 . 2]" 1
1795 1 21 PRO HB2 1 22 PRO HD3 . . 3.710 3.553 3.412 3.723 0.013 8 0 "[ . 1 . 2]" 1
1796 1 20 LEU HA 1 21 PRO HD2 . . 3.170 1.943 1.913 2.016 . 0 0 "[ . 1 . 2]" 1
1797 1 24 GLY H 1 108 MET ME . . 5.000 4.418 4.153 5.051 0.051 20 0 "[ . 1 . 2]" 1
1798 1 108 MET H 1 108 MET ME . . 4.700 4.634 4.431 4.808 0.108 8 0 "[ . 1 . 2]" 1
1799 1 108 MET ME 1 109 THR H . . 4.590 4.290 3.900 4.486 . 0 0 "[ . 1 . 2]" 1
1800 1 25 VAL H 1 108 MET ME . . 4.030 2.873 2.237 3.605 . 0 0 "[ . 1 . 2]" 1
1801 1 108 MET ME 1 110 ALA HA . . 4.420 3.511 3.062 3.904 . 0 0 "[ . 1 . 2]" 1
1802 1 108 MET HA 1 108 MET ME . . 4.750 4.423 4.099 4.832 0.082 12 0 "[ . 1 . 2]" 1
1803 1 25 VAL MG1 1 108 MET ME . . 4.230 3.763 3.174 4.282 0.052 8 0 "[ . 1 . 2]" 1
1804 1 25 VAL MG2 1 108 MET ME . . 4.230 3.454 2.754 3.790 . 0 0 "[ . 1 . 2]" 1
1805 1 19 MET ME 1 99 LYS H . . 3.290 1.939 1.786 2.175 . 0 0 "[ . 1 . 2]" 1
1806 1 19 MET ME 1 98 THR H . . 4.160 3.941 3.437 4.178 0.018 1 0 "[ . 1 . 2]" 1
1807 1 19 MET ME 1 20 LEU H . . 3.750 3.168 2.774 3.635 . 0 0 "[ . 1 . 2]" 1
1808 1 19 MET ME 1 102 ARG H . . 5.180 5.103 4.870 5.233 0.053 20 0 "[ . 1 . 2]" 1
1809 1 19 MET ME 1 105 THR H . . 5.500 5.372 4.818 5.516 0.016 12 0 "[ . 1 . 2]" 1
1810 1 19 MET ME 1 56 TYR QE . . 5.500 5.463 5.247 5.516 0.016 11 0 "[ . 1 . 2]" 1
1811 1 19 MET ME 1 103 SER HA . . 4.360 4.229 3.985 4.396 0.036 11 0 "[ . 1 . 2]" 1
1812 1 19 MET ME 1 98 THR HA . . 3.500 3.150 2.691 3.420 . 0 0 "[ . 1 . 2]" 1
1813 1 19 MET ME 1 99 LYS HA . . 3.970 3.829 3.514 3.980 0.010 18 0 "[ . 1 . 2]" 1
1814 1 19 MET HA 1 19 MET ME . . 3.980 3.424 3.010 3.941 . 0 0 "[ . 1 . 2]" 1
1815 1 19 MET ME 1 104 SER HB2 . . 4.060 3.317 2.158 3.835 . 0 0 "[ . 1 . 2]" 1
1816 1 19 MET ME 1 104 SER HB3 . . 4.060 2.558 2.115 3.306 . 0 0 "[ . 1 . 2]" 1
1817 1 19 MET ME 1 99 LYS QE . . 3.660 3.451 2.991 3.700 0.040 13 0 "[ . 1 . 2]" 1
1818 1 19 MET ME 1 97 VAL MG1 . . 3.010 1.834 1.706 1.986 . 0 0 "[ . 1 . 2]" 1
1819 1 90 MET ME 1 91 TYR H . . 4.730 4.379 4.164 4.572 . 0 0 "[ . 1 . 2]" 1
1820 1 90 MET ME 1 112 ALA H . . 4.740 4.272 3.903 4.533 . 0 0 "[ . 1 . 2]" 1
1821 1 90 MET H 1 90 MET ME . . 4.110 4.058 3.943 4.131 0.021 10 0 "[ . 1 . 2]" 1
1822 1 64 PHE QE 1 90 MET ME . . 3.640 2.790 2.242 3.302 . 0 0 "[ . 1 . 2]" 1
1823 1 64 PHE HZ 1 90 MET ME . . 4.900 4.318 2.846 4.901 0.001 15 0 "[ . 1 . 2]" 1
1824 1 90 MET ME 1 111 HIS HD2 . . 4.230 3.978 3.478 4.246 0.016 20 0 "[ . 1 . 2]" 1
1825 1 90 MET ME 1 111 HIS HA . . 4.670 4.424 4.095 4.689 0.019 11 0 "[ . 1 . 2]" 1
1826 1 90 MET ME 1 113 THR HG1 . . 4.290 3.694 3.165 4.098 . 0 0 "[ . 1 . 2]" 1
1827 1 90 MET ME 1 113 THR HA . . 4.840 4.694 4.551 4.852 0.012 20 0 "[ . 1 . 2]" 1
1828 1 90 MET HA 1 90 MET ME . . 4.470 4.401 4.257 4.478 0.008 8 0 "[ . 1 . 2]" 1
1829 1 63 SER HA 1 90 MET ME . . 5.500 5.251 4.790 5.549 0.049 20 0 "[ . 1 . 2]" 1
1830 1 63 SER HB2 1 90 MET ME . . 3.840 3.308 2.780 3.836 . 0 0 "[ . 1 . 2]" 1
1831 1 63 SER HB3 1 90 MET ME . . 3.840 3.143 2.675 3.731 . 0 0 "[ . 1 . 2]" 1
1832 1 90 MET ME 1 111 HIS HB3 . . 4.000 3.084 2.522 3.463 . 0 0 "[ . 1 . 2]" 1
1833 1 89 THR MG 1 90 MET ME . . 5.500 5.238 5.105 5.406 . 0 0 "[ . 1 . 2]" 1
1834 1 96 MET ME 1 106 TRP HE1 . . 4.530 4.270 3.812 4.541 0.011 2 0 "[ . 1 . 2]" 1
1835 1 96 MET ME 1 104 SER H . . 3.540 2.411 1.866 2.968 . 0 0 "[ . 1 . 2]" 1
1836 1 96 MET ME 1 103 SER H . . 4.830 4.743 4.417 4.850 0.020 12 0 "[ . 1 . 2]" 1
1837 1 96 MET ME 1 97 VAL H . . 3.870 2.893 2.558 3.367 . 0 0 "[ . 1 . 2]" 1
1838 1 96 MET ME 1 106 TRP HZ2 . . 4.340 4.081 3.371 4.340 . 0 0 "[ . 1 . 2]" 1
1839 1 96 MET ME 1 106 TRP HH2 . . 5.000 4.782 4.219 5.033 0.033 18 0 "[ . 1 . 2]" 1
1840 1 96 MET ME 1 98 THR HG1 . . 3.730 2.291 1.918 3.045 . 0 0 "[ . 1 . 2]" 1
1841 1 96 MET ME 1 104 SER HG . . 4.280 3.986 3.324 4.300 0.020 2 0 "[ . 1 . 2]" 1
1842 1 96 MET ME 1 103 SER HA . . 3.770 2.975 2.320 3.213 . 0 0 "[ . 1 . 2]" 1
1843 1 96 MET ME 1 97 VAL HA . . 4.570 4.030 3.404 4.377 . 0 0 "[ . 1 . 2]" 1
1844 1 96 MET ME 1 98 THR HA . . 4.730 3.671 3.064 3.915 . 0 0 "[ . 1 . 2]" 1
1845 1 96 MET HA 1 96 MET ME . . 4.440 4.228 4.083 4.397 . 0 0 "[ . 1 . 2]" 1
1846 1 96 MET ME 1 105 THR HA . . 5.330 4.298 3.784 4.894 . 0 0 "[ . 1 . 2]" 1
1847 1 96 MET ME 1 106 TRP HA . . 5.500 4.865 4.561 5.150 . 0 0 "[ . 1 . 2]" 1
1848 1 96 MET ME 1 103 SER HB2 . . 3.320 2.149 1.778 3.374 0.054 2 0 "[ . 1 . 2]" 1
1849 1 96 MET ME 1 98 THR HB . . 4.460 4.270 3.957 4.459 . 0 0 "[ . 1 . 2]" 1
1850 1 96 MET HB3 1 96 MET ME . . 3.340 3.243 3.140 3.341 0.001 1 0 "[ . 1 . 2]" 1
1851 1 96 MET H 1 96 MET ME . . 5.000 4.777 4.440 4.993 . 0 0 "[ . 1 . 2]" 1
1852 1 14 ASP HA 1 15 LEU QB . . 5.090 4.442 4.004 4.855 . 0 0 "[ . 1 . 2]" 1
1853 1 14 ASP HA 1 15 LEU HG . . 5.500 4.827 3.553 5.539 0.039 20 0 "[ . 1 . 2]" 1
1854 1 19 MET HA 1 19 MET QG . . 3.330 2.610 2.251 2.847 . 0 0 "[ . 1 . 2]" 1
1855 1 19 MET ME 1 19 MET QG . . 3.060 2.332 2.126 2.435 . 0 0 "[ . 1 . 2]" 1
1856 1 19 MET HB3 1 19 MET ME . . 2.860 2.147 1.938 2.578 . 0 0 "[ . 1 . 2]" 1
1857 1 19 MET ME 1 99 LYS HB3 . . 3.200 2.141 1.983 2.727 . 0 0 "[ . 1 . 2]" 1
1858 1 19 MET HB2 1 19 MET ME . . 3.720 3.387 3.113 3.671 . 0 0 "[ . 1 . 2]" 1
1859 1 19 MET ME 1 99 LYS HB2 . . 3.200 2.382 1.992 3.203 0.003 18 0 "[ . 1 . 2]" 1
1860 1 19 MET ME 1 97 VAL MG2 . . 3.010 2.124 1.742 2.661 . 0 0 "[ . 1 . 2]" 1
1861 1 90 MET ME 1 90 MET HG2 . . 3.450 2.871 2.351 3.380 . 0 0 "[ . 1 . 2]" 1
1862 1 90 MET ME 1 113 THR MG . . 4.320 4.090 3.861 4.282 . 0 0 "[ . 1 . 2]" 1
1863 1 96 MET HB2 1 96 MET ME . . 3.000 2.070 1.957 2.267 . 0 0 "[ . 1 . 2]" 1
1864 1 108 MET HA 1 109 THR HB . . 4.670 4.606 4.453 4.794 0.124 11 0 "[ . 1 . 2]" 1
1865 1 108 MET ME 1 110 ALA MB . . 3.840 3.123 2.681 3.709 . 0 0 "[ . 1 . 2]" 1
1866 1 71 LYS HB3 1 71 LYS HD3 . . 3.850 2.905 2.223 3.676 . 0 0 "[ . 1 . 2]" 1
1867 1 15 LEU QB 1 15 LEU MD2 . . 3.050 2.084 1.935 2.252 . 0 0 "[ . 1 . 2]" 1
1868 1 30 LEU MD2 1 36 ARG H . . 3.680 3.116 2.844 3.338 . 0 0 "[ . 1 . 2]" 1
1869 1 30 LEU HA 1 30 LEU MD2 . . 2.630 2.389 2.179 2.609 . 0 0 "[ . 1 . 2]" 1
1870 1 30 LEU MD2 1 35 VAL HA . . 4.480 4.326 4.146 4.473 . 0 0 "[ . 1 . 2]" 1
1871 1 30 LEU MD2 1 36 ARG QD . . 4.280 4.030 3.708 4.183 . 0 0 "[ . 1 . 2]" 1
1872 1 30 LEU QB 1 30 LEU MD2 . . 2.780 2.130 2.016 2.272 . 0 0 "[ . 1 . 2]" 1
1873 1 82 ALA MB 1 85 LEU MD2 . . 3.110 1.990 1.852 2.163 . 0 0 "[ . 1 . 2]" 1
1874 1 27 ALA MB 1 93 PHE H . . 4.480 4.240 3.906 4.503 0.023 8 0 "[ . 1 . 2]" 1
1875 1 27 ALA MB 1 110 ALA H . . 4.420 4.250 3.906 4.414 . 0 0 "[ . 1 . 2]" 1
1876 1 27 ALA MB 1 112 ALA H . . 4.620 3.771 3.557 4.090 . 0 0 "[ . 1 . 2]" 1
1877 1 27 ALA H 1 27 ALA MB . . 2.900 2.367 2.237 2.605 . 0 0 "[ . 1 . 2]" 1
1878 1 27 ALA MB 1 93 PHE QD . . 3.460 3.167 2.948 3.390 . 0 0 "[ . 1 . 2]" 1
1879 1 27 ALA MB 1 93 PHE QE . . 4.300 3.926 3.724 4.243 . 0 0 "[ . 1 . 2]" 1
1880 1 27 ALA MB 1 93 PHE HB2 . . 4.060 2.622 2.429 2.862 . 0 0 "[ . 1 . 2]" 1
1881 1 30 LEU H 1 34 ALA MB . . 4.060 3.422 3.328 3.501 . 0 0 "[ . 1 . 2]" 1
1882 1 87 PRO QG 1 117 ALA MB . . 2.910 2.429 2.250 2.705 . 0 0 "[ . 1 . 2]" 1
1883 1 37 VAL H 1 81 THR HA . . 4.830 3.345 3.205 3.459 . 0 0 "[ . 1 . 2]" 1
1884 1 23 VAL H 1 23 VAL MG1 . . 3.490 3.004 2.798 3.303 . 0 0 "[ . 1 . 2]" 1
1885 1 28 VAL HA 1 28 VAL QG . . 2.820 2.102 2.061 2.170 . 0 0 "[ . 1 . 2]" 1
1886 1 28 VAL QG 1 35 VAL MG1 . . 4.290 4.184 4.106 4.259 . 0 0 "[ . 1 . 2]" 1
1887 1 28 VAL QG 1 29 ALA H . . 3.140 2.161 1.964 2.383 . 0 0 "[ . 1 . 2]" 1
1888 1 53 VAL HA 1 53 VAL MG2 . . 3.350 2.266 2.051 2.473 . 0 0 "[ . 1 . 2]" 1
1889 1 58 VAL MG2 1 95 VAL MG1 . . 3.260 2.833 2.444 3.159 . 0 0 "[ . 1 . 2]" 1
1890 1 58 VAL MG2 1 95 VAL MG2 . . 3.220 2.500 1.991 3.020 . 0 0 "[ . 1 . 2]" 1
1891 1 58 VAL MG1 1 59 ARG H . . 3.430 2.621 2.452 2.841 . 0 0 "[ . 1 . 2]" 1
1892 1 58 VAL H 1 58 VAL MG1 . . 3.960 3.926 3.870 3.970 0.010 10 0 "[ . 1 . 2]" 1
1893 1 58 VAL MG1 1 94 SER H . . 3.910 3.279 2.971 3.620 . 0 0 "[ . 1 . 2]" 1
1894 1 58 VAL MG1 1 60 TRP HE3 . . 3.260 2.311 1.984 2.699 . 0 0 "[ . 1 . 2]" 1
1895 1 58 VAL MG1 1 93 PHE QD . . 3.420 3.006 2.526 3.392 . 0 0 "[ . 1 . 2]" 1
1896 1 58 VAL MG1 1 60 TRP HZ3 . . 3.320 2.709 2.048 3.283 . 0 0 "[ . 1 . 2]" 1
1897 1 58 VAL MG1 1 80 TYR QD . . 3.690 2.917 2.252 3.361 . 0 0 "[ . 1 . 2]" 1
1898 1 39 TRP HZ3 1 58 VAL MG1 . . 3.790 3.650 3.326 3.801 0.011 5 0 "[ . 1 . 2]" 1
1899 1 58 VAL MG1 1 59 ARG HA . . 4.530 3.739 3.490 3.934 . 0 0 "[ . 1 . 2]" 1
1900 1 58 VAL MG1 1 80 TYR HB2 . . 4.090 3.879 3.428 4.091 0.001 9 0 "[ . 1 . 2]" 1
1901 1 58 VAL MG1 1 93 PHE HB3 . . 4.080 3.584 3.128 4.070 . 0 0 "[ . 1 . 2]" 1
1902 1 58 VAL MG1 1 80 TYR HB3 . . 4.050 2.889 2.588 3.212 . 0 0 "[ . 1 . 2]" 1
1903 1 37 VAL HB 1 58 VAL MG1 . . 3.950 3.167 2.886 3.336 . 0 0 "[ . 1 . 2]" 1
1904 1 37 VAL MG2 1 58 VAL MG1 . . 3.270 3.137 2.833 3.282 0.012 19 0 "[ . 1 . 2]" 1
1905 1 58 VAL MG1 1 95 VAL MG2 . . 3.270 2.845 2.627 3.138 . 0 0 "[ . 1 . 2]" 1
1906 1 58 VAL MG1 1 95 VAL MG1 . . 4.400 4.213 3.942 4.415 0.015 20 0 "[ . 1 . 2]" 1
1907 1 95 VAL H 1 95 VAL MG1 . . 4.190 3.927 3.864 3.984 . 0 0 "[ . 1 . 2]" 1
1908 1 95 VAL MG1 1 96 MET H . . 3.340 2.036 1.903 2.152 . 0 0 "[ . 1 . 2]" 1
1909 1 57 THR H 1 95 VAL MG1 . . 4.000 3.526 3.122 3.878 . 0 0 "[ . 1 . 2]" 1
1910 1 39 TRP HZ2 1 95 VAL MG1 . . 4.600 2.978 2.767 3.196 . 0 0 "[ . 1 . 2]" 1
1911 1 39 TRP HE3 1 95 VAL MG1 . . 4.650 4.176 3.759 4.376 . 0 0 "[ . 1 . 2]" 1
1912 1 56 TYR QE 1 95 VAL MG1 . . 4.200 3.352 3.050 3.595 . 0 0 "[ . 1 . 2]" 1
1913 1 39 TRP HZ3 1 95 VAL MG1 . . 5.160 4.323 4.118 4.503 . 0 0 "[ . 1 . 2]" 1
1914 1 39 TRP HH2 1 95 VAL MG1 . . 5.340 3.755 3.515 3.938 . 0 0 "[ . 1 . 2]" 1
1915 1 95 VAL HA 1 95 VAL MG1 . . 3.420 2.380 2.263 2.460 . 0 0 "[ . 1 . 2]" 1
1916 1 56 TYR HA 1 95 VAL MG1 . . 4.580 3.818 3.540 4.180 . 0 0 "[ . 1 . 2]" 1
1917 1 95 VAL MG1 1 96 MET HA . . 4.180 3.338 3.180 3.504 . 0 0 "[ . 1 . 2]" 1
1918 1 22 PRO HD3 1 95 VAL MG1 . . 4.740 3.381 3.091 3.786 . 0 0 "[ . 1 . 2]" 1
1919 1 39 TRP HB3 1 95 VAL MG1 . . 4.950 4.228 3.500 4.564 . 0 0 "[ . 1 . 2]" 1
1920 1 78 LEU HA 1 95 VAL MG1 . . 5.380 4.464 4.274 4.694 . 0 0 "[ . 1 . 2]" 1
1921 1 56 TYR HB2 1 95 VAL MG1 . . 4.560 4.117 3.839 4.392 . 0 0 "[ . 1 . 2]" 1
1922 1 56 TYR HB3 1 95 VAL MG1 . . 3.620 2.713 2.444 3.013 . 0 0 "[ . 1 . 2]" 1
1923 1 22 PRO HG2 1 95 VAL MG1 . . 3.830 3.168 2.971 3.575 . 0 0 "[ . 1 . 2]" 1
1924 1 22 PRO HB3 1 95 VAL MG1 . . 3.660 3.328 2.639 3.573 . 0 0 "[ . 1 . 2]" 1
1925 1 63 SER HB3 1 64 PHE QD . . 4.950 3.082 2.000 4.299 . 0 0 "[ . 1 . 2]" 1
1926 1 86 LYS HA 1 87 PRO HD3 . . 3.960 2.259 2.254 2.271 . 0 0 "[ . 1 . 2]" 1
1927 1 17 THR HA 1 18 PRO HG2 . . 4.550 4.459 4.405 4.534 . 0 0 "[ . 1 . 2]" 1
1928 1 17 THR HA 1 17 THR MG . . 3.700 2.305 2.176 2.410 . 0 0 "[ . 1 . 2]" 1
1929 1 117 ALA MB 1 118 SER HA . . 4.380 3.989 3.611 4.322 . 0 0 "[ . 1 . 2]" 1
1930 1 8 PHE HA 1 9 PRO HD2 . . 3.360 2.103 1.913 2.440 . 0 0 "[ . 1 . 2]" 1
1931 1 8 PHE HA 1 9 PRO HD3 . . 3.360 2.464 2.251 3.329 . 0 0 "[ . 1 . 2]" 1
1932 1 37 VAL HB 1 79 SER HA . . 4.930 4.598 4.423 4.937 0.007 11 0 "[ . 1 . 2]" 1
1933 1 87 PRO HB3 1 116 GLU HA . . 5.240 4.499 4.266 4.744 . 0 0 "[ . 1 . 2]" 1
1934 1 31 THR HB 1 33 ASP H . . 4.720 4.439 4.178 4.678 . 0 0 "[ . 1 . 2]" 1
1935 1 8 PHE HA 1 9 PRO QD . . 2.920 1.969 1.850 2.382 . 0 0 "[ . 1 . 2]" 1
1936 1 8 PHE QB 1 9 PRO QD . . 3.670 3.158 1.982 3.793 0.123 8 0 "[ . 1 . 2]" 1
1937 1 11 SER QB 1 12 VAL H . . 4.170 3.193 2.107 3.954 . 0 0 "[ . 1 . 2]" 1
1938 1 11 SER QB 1 12 VAL QG . . 4.620 3.732 2.372 4.613 . 0 0 "[ . 1 . 2]" 1
1939 1 12 VAL H 1 12 VAL QG . . 3.720 2.004 1.812 2.635 . 0 0 "[ . 1 . 2]" 1
1940 1 12 VAL HA 1 13 PRO QD . . 2.550 1.967 1.860 2.265 . 0 0 "[ . 1 . 2]" 1
1941 1 12 VAL HB 1 13 PRO QD . . 3.870 2.923 2.048 4.257 0.387 18 0 "[ . 1 . 2]" 1
1942 1 12 VAL QG 1 13 PRO QG . . 4.570 3.953 2.879 4.592 0.022 18 0 "[ . 1 . 2]" 1
1943 1 13 PRO HA 1 14 ASP QB . . 5.340 4.406 4.009 5.175 . 0 0 "[ . 1 . 2]" 1
1944 1 14 ASP QB 1 15 LEU H . . 4.180 3.300 2.141 4.065 . 0 0 "[ . 1 . 2]" 1
1945 1 14 ASP QB 1 15 LEU HA . . 5.340 4.491 4.074 5.294 . 0 0 "[ . 1 . 2]" 1
1946 1 15 LEU H 1 15 LEU QD . . 4.610 2.999 2.039 3.777 . 0 0 "[ . 1 . 2]" 1
1947 1 15 LEU HA 1 15 LEU QD . . 2.980 2.604 2.104 3.172 0.192 9 0 "[ . 1 . 2]" 1
1948 1 15 LEU QB 1 15 LEU QD . . 2.610 1.856 1.747 1.957 . 0 0 "[ . 1 . 2]" 1
1949 1 17 THR HB 1 18 PRO QD . . 2.950 2.106 1.993 2.220 . 0 0 "[ . 1 . 2]" 1
1950 1 17 THR MG 1 18 PRO QD . . 3.300 2.939 2.545 3.123 . 0 0 "[ . 1 . 2]" 1
1951 1 18 PRO QB 1 19 MET H . . 4.060 3.142 1.885 3.888 . 0 0 "[ . 1 . 2]" 1
1952 1 19 MET HB2 1 97 VAL QG . . 4.550 4.162 3.730 4.470 . 0 0 "[ . 1 . 2]" 1
1953 1 19 MET HB2 1 104 SER QB . . 3.900 2.105 1.848 2.778 . 0 0 "[ . 1 . 2]" 1
1954 1 19 MET HB3 1 97 VAL QG . . 3.800 2.990 2.613 3.255 . 0 0 "[ . 1 . 2]" 1
1955 1 19 MET HB3 1 104 SER QB . . 3.750 1.976 1.841 2.057 . 0 0 "[ . 1 . 2]" 1
1956 1 19 MET QG 1 97 VAL QG . . 4.240 3.818 3.389 4.247 0.007 8 0 "[ . 1 . 2]" 1
1957 1 19 MET QG 1 102 ARG QD . . 4.390 2.303 1.872 2.840 . 0 0 "[ . 1 . 2]" 1
1958 1 19 MET QG 1 104 SER QB . . 3.890 2.575 2.034 3.197 . 0 0 "[ . 1 . 2]" 1
1959 1 19 MET ME 1 97 VAL QG . . 2.480 1.713 1.580 1.805 . 0 0 "[ . 1 . 2]" 1
1960 1 19 MET ME 1 99 LYS QB . . 2.770 1.944 1.807 2.121 . 0 0 "[ . 1 . 2]" 1
1961 1 19 MET ME 1 99 LYS QG . . 4.280 3.785 3.559 3.942 . 0 0 "[ . 1 . 2]" 1
1962 1 19 MET ME 1 99 LYS QD . . 4.370 3.419 3.071 3.944 . 0 0 "[ . 1 . 2]" 1
1963 1 19 MET ME 1 102 ARG QD . . 4.580 4.371 3.931 4.602 0.022 16 0 "[ . 1 . 2]" 1
1964 1 19 MET ME 1 104 SER QB . . 3.450 2.321 2.100 2.536 . 0 0 "[ . 1 . 2]" 1
1965 1 20 LEU H 1 20 LEU QB . . 2.770 2.584 2.343 2.828 0.058 16 0 "[ . 1 . 2]" 1
1966 1 20 LEU HA 1 97 VAL QG . . 5.430 4.701 4.187 5.088 . 0 0 "[ . 1 . 2]" 1
1967 1 20 LEU QB 1 21 PRO HD2 . . 3.900 3.812 3.627 3.916 0.016 3 0 "[ . 1 . 2]" 1
1968 1 20 LEU QB 1 43 SER QB . . 5.180 2.373 1.820 3.169 . 0 0 "[ . 1 . 2]" 1
1969 1 20 LEU MD1 1 43 SER QB . . 3.920 2.800 1.951 3.913 . 0 0 "[ . 1 . 2]" 1
1970 1 21 PRO HB2 1 107 SER QB . . 4.310 2.154 1.989 2.506 . 0 0 "[ . 1 . 2]" 1
1971 1 21 PRO HB3 1 97 VAL QG . . 4.940 3.966 3.420 4.679 . 0 0 "[ . 1 . 2]" 1
1972 1 22 PRO HB2 1 25 VAL QG . . 4.070 3.139 2.242 3.572 . 0 0 "[ . 1 . 2]" 1
1973 1 22 PRO HB3 1 23 VAL QG . . 5.270 4.496 4.393 4.591 . 0 0 "[ . 1 . 2]" 1
1974 1 22 PRO HB3 1 25 VAL QG . . 5.440 4.459 3.581 4.860 . 0 0 "[ . 1 . 2]" 1
1975 1 22 PRO QG 1 23 VAL H . . 4.470 3.969 3.757 4.139 . 0 0 "[ . 1 . 2]" 1
1976 1 22 PRO QG 1 39 TRP HB2 . . 5.350 4.183 3.658 4.383 . 0 0 "[ . 1 . 2]" 1
1977 1 22 PRO QG 1 39 TRP HB3 . . 5.350 4.634 4.206 4.770 . 0 0 "[ . 1 . 2]" 1
1978 1 22 PRO QG 1 39 TRP HD1 . . 4.270 3.712 3.344 3.937 . 0 0 "[ . 1 . 2]" 1
1979 1 22 PRO QG 1 39 TRP HE1 . . 4.370 3.967 3.564 4.378 0.008 10 0 "[ . 1 . 2]" 1
1980 1 22 PRO QG 1 56 TYR QE . . 4.550 3.474 3.122 4.101 . 0 0 "[ . 1 . 2]" 1
1981 1 22 PRO QG 1 95 VAL HB . . 3.510 2.020 1.799 2.291 . 0 0 "[ . 1 . 2]" 1
1982 1 22 PRO QG 1 95 VAL MG1 . . 3.260 1.935 1.842 2.264 . 0 0 "[ . 1 . 2]" 1
1983 1 22 PRO QG 1 96 MET HB3 . . 5.350 4.998 4.539 5.226 . 0 0 "[ . 1 . 2]" 1
1984 1 22 PRO QG 1 107 SER QB . . 4.530 2.309 1.891 2.837 . 0 0 "[ . 1 . 2]" 1
1985 1 22 PRO HD2 1 97 VAL QG . . 4.490 4.072 3.733 4.402 . 0 0 "[ . 1 . 2]" 1
1986 1 22 PRO HD2 1 107 SER QB . . 4.490 2.523 2.314 2.895 . 0 0 "[ . 1 . 2]" 1
1987 1 22 PRO HD3 1 97 VAL QG . . 3.640 3.129 2.748 3.588 . 0 0 "[ . 1 . 2]" 1
1988 1 23 VAL H 1 23 VAL QG . . 2.830 2.260 1.928 2.426 . 0 0 "[ . 1 . 2]" 1
1989 1 23 VAL HB 1 24 GLY QA . . 4.060 3.719 3.645 3.833 . 0 0 "[ . 1 . 2]" 1
1990 1 23 VAL QG 1 24 GLY H . . 3.270 2.751 1.861 2.942 . 0 0 "[ . 1 . 2]" 1
1991 1 23 VAL QG 1 24 GLY QA . . 3.440 3.102 2.905 3.223 . 0 0 "[ . 1 . 2]" 1
1992 1 23 VAL QG 1 25 VAL H . . 4.730 4.382 4.169 4.704 . 0 0 "[ . 1 . 2]" 1
1993 1 23 VAL QG 1 40 ALA H . . 3.950 3.551 2.973 3.906 . 0 0 "[ . 1 . 2]" 1
1994 1 23 VAL QG 1 40 ALA MB . . 2.750 2.511 2.135 2.765 0.015 20 0 "[ . 1 . 2]" 1
1995 1 23 VAL QG 1 41 ASP HA . . 4.250 3.665 2.880 4.225 . 0 0 "[ . 1 . 2]" 1
1996 1 23 VAL QG 1 42 ASN H . . 4.250 3.022 2.176 3.757 . 0 0 "[ . 1 . 2]" 1
1997 1 23 VAL QG 1 42 ASN HB2 . . 3.790 2.219 1.933 2.668 . 0 0 "[ . 1 . 2]" 1
1998 1 23 VAL QG 1 42 ASN HB3 . . 4.080 3.298 2.652 3.825 . 0 0 "[ . 1 . 2]" 1
1999 1 23 VAL QG 1 42 ASN QD . . 3.410 2.262 1.790 3.364 . 0 0 "[ . 1 . 2]" 1
2000 1 23 VAL QG 1 108 MET ME . . 5.440 5.382 4.914 5.472 0.032 12 0 "[ . 1 . 2]" 1
2001 1 24 GLY H 1 25 VAL QG . . 4.390 3.811 3.642 4.067 . 0 0 "[ . 1 . 2]" 1
2002 1 24 GLY QA 1 25 VAL QG . . 4.070 3.880 3.748 4.056 . 0 0 "[ . 1 . 2]" 1
2003 1 24 GLY QA 1 40 ALA MB . . 3.650 2.970 2.559 3.313 . 0 0 "[ . 1 . 2]" 1
2004 1 24 GLY QA 1 108 MET ME . . 4.880 3.557 3.230 4.094 . 0 0 "[ . 1 . 2]" 1
2005 1 25 VAL H 1 25 VAL QG . . 2.840 2.017 1.833 2.366 . 0 0 "[ . 1 . 2]" 1
2006 1 25 VAL HA 1 25 VAL QG . . 2.790 2.070 2.000 2.159 . 0 0 "[ . 1 . 2]" 1
2007 1 25 VAL HB 1 108 MET QG . . 3.500 2.625 2.195 3.414 . 0 0 "[ . 1 . 2]" 1
2008 1 25 VAL QG 1 26 GLN H . . 3.170 2.845 2.576 3.172 0.002 20 0 "[ . 1 . 2]" 1
2009 1 25 VAL QG 1 39 TRP H . . 5.440 4.756 4.360 5.047 . 0 0 "[ . 1 . 2]" 1
2010 1 25 VAL QG 1 39 TRP HB2 . . 3.520 2.792 2.545 3.116 . 0 0 "[ . 1 . 2]" 1
2011 1 25 VAL QG 1 39 TRP HB3 . . 3.220 2.451 2.033 2.662 . 0 0 "[ . 1 . 2]" 1
2012 1 25 VAL QG 1 39 TRP HD1 . . 4.780 4.329 4.068 4.694 . 0 0 "[ . 1 . 2]" 1
2013 1 25 VAL QG 1 39 TRP HE3 . . 3.940 3.418 2.906 3.804 . 0 0 "[ . 1 . 2]" 1
2014 1 25 VAL QG 1 40 ALA H . . 4.150 3.921 3.667 4.159 0.009 11 0 "[ . 1 . 2]" 1
2015 1 25 VAL QG 1 94 SER H . . 5.170 4.267 3.989 4.473 . 0 0 "[ . 1 . 2]" 1
2016 1 25 VAL QG 1 94 SER HA . . 3.880 2.590 2.225 3.078 . 0 0 "[ . 1 . 2]" 1
2017 1 25 VAL QG 1 95 VAL H . . 4.170 2.974 2.619 3.347 . 0 0 "[ . 1 . 2]" 1
2018 1 25 VAL QG 1 95 VAL HA . . 5.440 4.381 4.097 4.588 . 0 0 "[ . 1 . 2]" 1
2019 1 25 VAL QG 1 95 VAL MG1 . . 4.050 3.748 3.421 4.038 . 0 0 "[ . 1 . 2]" 1
2020 1 25 VAL QG 1 95 VAL MG2 . . 2.890 2.228 1.979 2.434 . 0 0 "[ . 1 . 2]" 1
2021 1 25 VAL QG 1 107 SER H . . 4.880 3.966 3.663 4.274 . 0 0 "[ . 1 . 2]" 1
2022 1 25 VAL QG 1 107 SER HA . . 4.400 4.357 4.254 4.453 0.053 8 0 "[ . 1 . 2]" 1
2023 1 25 VAL QG 1 107 SER QB . . 3.950 2.386 2.065 2.772 . 0 0 "[ . 1 . 2]" 1
2024 1 25 VAL QG 1 107 SER HG . . 3.330 1.943 1.796 2.173 . 0 0 "[ . 1 . 2]" 1
2025 1 25 VAL QG 1 108 MET H . . 4.000 3.393 3.030 3.669 . 0 0 "[ . 1 . 2]" 1
2026 1 25 VAL QG 1 108 MET HA . . 4.790 4.580 4.161 4.806 0.016 12 0 "[ . 1 . 2]" 1
2027 1 25 VAL QG 1 108 MET HB2 . . 4.700 4.358 3.927 4.672 . 0 0 "[ . 1 . 2]" 1
2028 1 25 VAL QG 1 108 MET HB3 . . 4.920 4.529 4.077 4.826 . 0 0 "[ . 1 . 2]" 1
2029 1 25 VAL QG 1 108 MET QG . . 3.260 2.250 1.884 2.640 . 0 0 "[ . 1 . 2]" 1
2030 1 25 VAL QG 1 108 MET ME . . 3.530 3.183 2.612 3.546 0.016 18 0 "[ . 1 . 2]" 1
2031 1 25 VAL QG 1 110 ALA HA . . 4.580 4.302 3.839 4.602 0.022 12 0 "[ . 1 . 2]" 1
2032 1 25 VAL QG 1 110 ALA MB . . 2.620 2.203 1.833 2.579 . 0 0 "[ . 1 . 2]" 1
2033 1 26 GLN H 1 26 GLN QG . . 4.160 4.010 3.951 4.091 . 0 0 "[ . 1 . 2]" 1
2034 1 26 GLN HA 1 26 GLN QG . . 3.430 2.595 2.389 3.035 . 0 0 "[ . 1 . 2]" 1
2035 1 26 GLN QG 1 27 ALA H . . 3.910 2.509 1.995 2.882 . 0 0 "[ . 1 . 2]" 1
2036 1 26 GLN QG 1 28 VAL QG . . 3.400 2.182 1.923 2.504 . 0 0 "[ . 1 . 2]" 1
2037 1 28 VAL H 1 36 ARG QG . . 4.440 4.076 3.823 4.312 . 0 0 "[ . 1 . 2]" 1
2038 1 28 VAL HB 1 36 ARG QG . . 3.820 3.095 2.796 3.261 . 0 0 "[ . 1 . 2]" 1
2039 1 30 LEU HG 1 36 ARG QG . . 5.340 4.541 4.387 4.715 . 0 0 "[ . 1 . 2]" 1
2040 1 30 LEU MD2 1 36 ARG QG . . 4.030 3.115 2.992 3.352 . 0 0 "[ . 1 . 2]" 1
2041 1 33 ASP HA 1 85 LEU QB . . 3.820 2.438 2.213 2.636 . 0 0 "[ . 1 . 2]" 1
2042 1 33 ASP QB 1 84 GLY H . . 3.920 2.548 2.171 2.825 . 0 0 "[ . 1 . 2]" 1
2043 1 33 ASP QB 1 84 GLY QA . . 4.370 2.735 2.381 3.029 . 0 0 "[ . 1 . 2]" 1
2044 1 33 ASP QB 1 85 LEU H . . 3.370 2.005 1.881 2.219 . 0 0 "[ . 1 . 2]" 1
2045 1 33 ASP QB 1 85 LEU HG . . 4.140 3.805 3.536 4.120 . 0 0 "[ . 1 . 2]" 1
2046 1 33 ASP QB 1 114 THR MG . . 5.340 4.833 4.657 5.239 . 0 0 "[ . 1 . 2]" 1
2047 1 36 ARG H 1 36 ARG QG . . 4.290 3.928 3.828 3.987 . 0 0 "[ . 1 . 2]" 1
2048 1 36 ARG HA 1 36 ARG QG . . 3.470 3.022 2.942 3.114 . 0 0 "[ . 1 . 2]" 1
2049 1 36 ARG QG 1 37 VAL H . . 3.930 3.583 3.336 3.838 . 0 0 "[ . 1 . 2]" 1
2050 1 36 ARG QG 1 38 SER QB . . 4.680 2.988 2.793 3.733 . 0 0 "[ . 1 . 2]" 1
2051 1 36 ARG QG 1 79 SER HB2 . . 3.950 3.550 3.140 3.844 . 0 0 "[ . 1 . 2]" 1
2052 1 36 ARG QG 1 79 SER HB3 . . 5.040 4.633 4.362 4.917 . 0 0 "[ . 1 . 2]" 1
2053 1 36 ARG QG 1 80 TYR H . . 5.340 4.479 4.218 4.775 . 0 0 "[ . 1 . 2]" 1
2054 1 36 ARG QD 1 38 SER QB . . 4.390 3.521 2.964 4.145 . 0 0 "[ . 1 . 2]" 1
2055 1 38 SER QB 1 39 TRP H . . 3.260 3.129 2.912 3.333 0.073 11 0 "[ . 1 . 2]" 1
2056 1 38 SER QB 1 79 SER HB2 . . 3.940 3.212 2.650 3.742 . 0 0 "[ . 1 . 2]" 1
2057 1 38 SER QB 1 79 SER HB3 . . 3.820 2.956 2.204 3.502 . 0 0 "[ . 1 . 2]" 1
2058 1 39 TRP H 1 78 LEU QB . . 4.020 3.126 2.851 3.350 . 0 0 "[ . 1 . 2]" 1
2059 1 39 TRP H 1 78 LEU QD . . 4.300 4.126 3.947 4.296 . 0 0 "[ . 1 . 2]" 1
2060 1 39 TRP HD1 1 41 ASP QB . . 4.560 4.151 3.826 4.396 . 0 0 "[ . 1 . 2]" 1
2061 1 39 TRP HD1 1 78 LEU QD . . 3.320 2.727 2.522 2.893 . 0 0 "[ . 1 . 2]" 1
2062 1 39 TRP HE1 1 41 ASP QB . . 4.670 4.482 4.194 4.662 . 0 0 "[ . 1 . 2]" 1
2063 1 39 TRP HE1 1 78 LEU QB . . 5.020 3.768 3.428 4.097 . 0 0 "[ . 1 . 2]" 1
2064 1 39 TRP HE1 1 78 LEU QD . . 3.070 1.899 1.793 2.156 . 0 0 "[ . 1 . 2]" 1
2065 1 39 TRP HZ2 1 78 LEU QD . . 4.010 3.371 3.060 3.728 . 0 0 "[ . 1 . 2]" 1
2066 1 39 TRP HH2 1 78 LEU QD . . 5.440 5.095 4.870 5.285 . 0 0 "[ . 1 . 2]" 1
2067 1 40 ALA HA 1 78 LEU QD . . 3.200 2.996 2.632 3.199 . 0 0 "[ . 1 . 2]" 1
2068 1 40 ALA MB 1 42 ASN QD . . 4.460 3.843 2.015 4.461 0.001 20 0 "[ . 1 . 2]" 1
2069 1 40 ALA MB 1 78 LEU QD . . 4.260 3.983 3.701 4.136 . 0 0 "[ . 1 . 2]" 1
2070 1 41 ASP H 1 41 ASP QB . . 3.430 2.771 2.321 3.061 . 0 0 "[ . 1 . 2]" 1
2071 1 41 ASP H 1 78 LEU QD . . 3.440 3.014 2.631 3.444 0.004 14 0 "[ . 1 . 2]" 1
2072 1 41 ASP HA 1 78 LEU QD . . 4.410 3.577 3.151 4.023 . 0 0 "[ . 1 . 2]" 1
2073 1 41 ASP QB 1 44 VAL QG . . 3.420 2.780 2.254 3.318 . 0 0 "[ . 1 . 2]" 1
2074 1 41 ASP QB 1 56 TYR QE . . 4.380 3.747 3.108 4.218 . 0 0 "[ . 1 . 2]" 1
2075 1 41 ASP QB 1 78 LEU QD . . 3.030 2.158 1.806 2.514 . 0 0 "[ . 1 . 2]" 1
2076 1 42 ASN HB2 1 42 ASN QD . . 3.340 2.477 2.132 3.341 0.001 10 0 "[ . 1 . 2]" 1
2077 1 43 SER H 1 43 SER QB . . 3.530 2.473 2.157 2.926 . 0 0 "[ . 1 . 2]" 1
2078 1 43 SER H 1 44 VAL QG . . 5.410 3.693 3.076 4.456 . 0 0 "[ . 1 . 2]" 1
2079 1 43 SER QB 1 44 VAL H . . 4.170 3.578 2.633 4.055 . 0 0 "[ . 1 . 2]" 1
2080 1 43 SER QB 1 44 VAL QG . . 4.790 3.944 2.723 4.795 0.005 9 0 "[ . 1 . 2]" 1
2081 1 44 VAL H 1 44 VAL QG . . 3.170 2.289 1.824 3.030 . 0 0 "[ . 1 . 2]" 1
2082 1 44 VAL H 1 45 PRO QD . . 4.360 3.958 3.406 4.348 . 0 0 "[ . 1 . 2]" 1
2083 1 44 VAL HA 1 45 PRO QD . . 2.570 1.890 1.851 2.005 . 0 0 "[ . 1 . 2]" 1
2084 1 44 VAL HB 1 45 PRO QD . . 4.480 3.792 2.254 4.391 . 0 0 "[ . 1 . 2]" 1
2085 1 44 VAL QG 1 45 PRO HA . . 4.470 4.036 3.769 4.586 0.116 10 0 "[ . 1 . 2]" 1
2086 1 44 VAL QG 1 45 PRO QD . . 3.060 2.414 1.880 3.027 . 0 0 "[ . 1 . 2]" 1
2087 1 44 VAL QG 1 46 LYS HA . . 4.940 4.354 3.657 4.931 . 0 0 "[ . 1 . 2]" 1
2088 1 44 VAL QG 1 48 GLN QB . . 3.870 3.203 2.016 3.881 0.011 6 0 "[ . 1 . 2]" 1
2089 1 44 VAL QG 1 48 GLN QG . . 4.160 3.182 1.956 4.166 0.006 3 0 "[ . 1 . 2]" 1
2090 1 44 VAL QG 1 48 GLN QE . . 5.250 3.889 1.848 5.174 . 0 0 "[ . 1 . 2]" 1
2091 1 45 PRO QD 1 48 GLN QB . . 4.860 3.438 1.985 4.670 . 0 0 "[ . 1 . 2]" 1
2092 1 45 PRO QD 1 48 GLN QG . . 4.230 2.999 2.083 3.581 . 0 0 "[ . 1 . 2]" 1
2093 1 46 LYS H 1 46 LYS QG . . 4.340 3.163 1.869 4.384 0.044 10 0 "[ . 1 . 2]" 1
2094 1 46 LYS HA 1 46 LYS QG . . 3.670 2.883 2.280 3.370 . 0 0 "[ . 1 . 2]" 1
2095 1 46 LYS QG 1 47 ASN H . . 4.660 2.457 1.801 3.806 . 0 0 "[ . 1 . 2]" 1
2096 1 47 ASN H 1 47 ASN QD . . 4.680 4.038 2.302 4.672 . 0 0 "[ . 1 . 2]" 1
2097 1 48 GLN QB 1 48 GLN QG . . 2.380 2.024 1.973 2.085 . 0 0 "[ . 1 . 2]" 1
2098 1 49 LYS H 1 49 LYS QB . . 3.500 2.349 2.116 2.647 . 0 0 "[ . 1 . 2]" 1
2099 1 49 LYS HA 1 49 LYS QG . . 3.350 2.493 2.136 3.366 0.016 14 0 "[ . 1 . 2]" 1
2100 1 49 LYS HA 1 49 LYS QD . . 3.890 2.923 1.989 3.968 0.078 8 0 "[ . 1 . 2]" 1
2101 1 49 LYS HA 1 49 LYS QE . . 4.430 3.880 2.307 4.439 0.009 17 0 "[ . 1 . 2]" 1
2102 1 49 LYS QD 1 49 LYS QG . . 2.350 2.056 2.019 2.092 . 0 0 "[ . 1 . 2]" 1
2103 1 49 LYS QE 1 49 LYS QG . . 2.780 2.232 2.047 2.451 . 0 0 "[ . 1 . 2]" 1
2104 1 52 GLU H 1 52 GLU QB . . 3.410 2.367 2.167 2.720 . 0 0 "[ . 1 . 2]" 1
2105 1 52 GLU HA 1 53 VAL QG . . 3.990 3.776 3.454 4.016 0.026 16 0 "[ . 1 . 2]" 1
2106 1 52 GLU QB 1 53 VAL HA . . 4.890 4.612 4.094 4.892 0.002 8 0 "[ . 1 . 2]" 1
2107 1 52 GLU QB 1 99 LYS QG . . 4.750 3.078 2.440 4.143 . 0 0 "[ . 1 . 2]" 1
2108 1 52 GLU QB 1 99 LYS QD . . 3.610 2.568 1.836 3.540 . 0 0 "[ . 1 . 2]" 1
2109 1 52 GLU QB 1 99 LYS QE . . 3.750 2.877 2.399 3.304 . 0 0 "[ . 1 . 2]" 1
2110 1 52 GLU QG 1 99 LYS QD . . 5.140 3.745 2.651 4.626 . 0 0 "[ . 1 . 2]" 1
2111 1 53 VAL H 1 53 VAL QG . . 3.260 2.242 1.852 2.606 . 0 0 "[ . 1 . 2]" 1
2112 1 53 VAL HA 1 53 VAL QG . . 2.820 2.117 2.027 2.287 . 0 0 "[ . 1 . 2]" 1
2113 1 53 VAL HA 1 54 ARG QG . . 4.140 3.421 2.916 4.165 0.025 2 0 "[ . 1 . 2]" 1
2114 1 53 VAL HA 1 99 LYS QG . . 5.340 5.187 4.654 5.368 0.028 13 0 "[ . 1 . 2]" 1
2115 1 53 VAL QG 1 54 ARG H . . 3.290 2.042 1.755 2.637 . 0 0 "[ . 1 . 2]" 1
2116 1 53 VAL QG 1 54 ARG QD . . 4.280 3.878 3.219 4.446 0.166 12 0 "[ . 1 . 2]" 1
2117 1 54 ARG H 1 54 ARG QB . . 3.490 3.120 2.784 3.407 . 0 0 "[ . 1 . 2]" 1
2118 1 54 ARG H 1 54 ARG QG . . 3.100 2.517 1.893 3.050 . 0 0 "[ . 1 . 2]" 1
2119 1 54 ARG H 1 99 LYS QG . . 5.280 4.921 4.516 5.284 0.004 1 0 "[ . 1 . 2]" 1
2120 1 54 ARG HA 1 54 ARG QG . . 3.630 3.184 2.592 3.464 . 0 0 "[ . 1 . 2]" 1
2121 1 54 ARG HA 1 97 VAL QG . . 4.150 3.625 2.901 3.972 . 0 0 "[ . 1 . 2]" 1
2122 1 54 ARG HA 1 99 LYS QB . . 4.720 3.376 2.279 4.140 . 0 0 "[ . 1 . 2]" 1
2123 1 54 ARG HA 1 99 LYS QG . . 4.430 3.327 2.780 3.980 . 0 0 "[ . 1 . 2]" 1
2124 1 54 ARG QB 1 54 ARG QD . . 3.210 2.205 2.087 2.584 . 0 0 "[ . 1 . 2]" 1
2125 1 54 ARG QB 1 55 LEU H . . 3.360 2.571 2.009 3.266 . 0 0 "[ . 1 . 2]" 1
2126 1 54 ARG QB 1 56 TYR QE . . 4.130 2.908 2.350 3.443 . 0 0 "[ . 1 . 2]" 1
2127 1 54 ARG QB 1 97 VAL QG . . 2.990 2.151 1.720 2.402 . 0 0 "[ . 1 . 2]" 1
2128 1 54 ARG QB 1 98 THR H . . 4.540 3.935 3.221 4.542 0.002 18 0 "[ . 1 . 2]" 1
2129 1 54 ARG QB 1 99 LYS QB . . 3.990 2.732 2.033 3.408 . 0 0 "[ . 1 . 2]" 1
2130 1 54 ARG QG 1 55 LEU H . . 4.920 4.259 3.498 4.695 . 0 0 "[ . 1 . 2]" 1
2131 1 54 ARG QG 1 56 TYR QE . . 4.920 3.497 1.961 4.431 . 0 0 "[ . 1 . 2]" 1
2132 1 54 ARG QG 1 97 VAL QG . . 3.780 3.295 2.042 3.799 0.019 20 0 "[ . 1 . 2]" 1
2133 1 54 ARG QD 1 97 VAL QG . . 3.790 3.387 2.578 3.857 0.067 13 0 "[ . 1 . 2]" 1
2134 1 55 LEU H 1 55 LEU QD . . 4.000 3.856 3.437 4.003 0.003 17 0 "[ . 1 . 2]" 1
2135 1 55 LEU H 1 97 VAL QG . . 3.880 2.716 2.496 3.149 . 0 0 "[ . 1 . 2]" 1
2136 1 55 LEU HA 1 55 LEU QD . . 2.880 2.518 1.938 2.732 . 0 0 "[ . 1 . 2]" 1
2137 1 55 LEU HA 1 97 VAL QG . . 4.550 4.408 4.155 4.567 0.017 3 0 "[ . 1 . 2]" 1
2138 1 55 LEU HB3 1 55 LEU QD . . 2.800 2.130 2.100 2.214 . 0 0 "[ . 1 . 2]" 1
2139 1 55 LEU QD 1 56 TYR H . . 3.220 2.615 1.693 3.058 . 0 0 "[ . 1 . 2]" 1
2140 1 55 LEU QD 1 56 TYR HB2 . . 5.090 4.293 3.330 4.644 . 0 0 "[ . 1 . 2]" 1
2141 1 55 LEU QD 1 57 THR H . . 5.410 4.267 2.736 4.601 . 0 0 "[ . 1 . 2]" 1
2142 1 55 LEU QD 1 74 ASP HA . . 3.770 2.923 2.448 3.351 . 0 0 "[ . 1 . 2]" 1
2143 1 55 LEU QD 1 74 ASP QB . . 2.650 1.906 1.694 2.339 . 0 0 "[ . 1 . 2]" 1
2144 1 55 LEU QD 1 75 THR H . . 3.380 2.759 2.094 3.231 . 0 0 "[ . 1 . 2]" 1
2145 1 55 LEU QD 1 75 THR HA . . 4.730 3.925 3.471 4.433 . 0 0 "[ . 1 . 2]" 1
2146 1 55 LEU QD 1 76 THR H . . 4.470 4.192 3.573 4.453 . 0 0 "[ . 1 . 2]" 1
2147 1 55 LEU QD 1 76 THR HA . . 3.730 3.531 2.625 3.752 0.022 6 0 "[ . 1 . 2]" 1
2148 1 55 LEU QD 1 76 THR MG . . 2.900 2.581 2.306 2.819 . 0 0 "[ . 1 . 2]" 1
2149 1 55 LEU QD 1 77 SER H . . 5.440 5.218 4.179 5.459 0.019 13 0 "[ . 1 . 2]" 1
2150 1 55 LEU QD 1 97 VAL HA . . 4.770 4.685 3.518 4.842 0.072 19 0 "[ . 1 . 2]" 1
2151 1 55 LEU QD 1 98 THR H . . 4.330 3.924 2.993 4.238 . 0 0 "[ . 1 . 2]" 1
2152 1 55 LEU QD 1 98 THR HB . . 3.820 2.824 2.495 3.057 . 0 0 "[ . 1 . 2]" 1
2153 1 56 TYR HA 1 97 VAL QG . . 4.050 3.744 3.369 3.944 . 0 0 "[ . 1 . 2]" 1
2154 1 56 TYR HB3 1 97 VAL QG . . 5.440 5.241 4.894 5.458 0.018 19 0 "[ . 1 . 2]" 1
2155 1 56 TYR QE 1 78 LEU QD . . 3.330 2.784 2.483 3.136 . 0 0 "[ . 1 . 2]" 1
2156 1 56 TYR QE 1 97 VAL QG . . 3.280 2.692 2.201 3.270 . 0 0 "[ . 1 . 2]" 1
2157 1 57 THR H 1 97 VAL QG . . 5.440 4.875 4.643 5.105 . 0 0 "[ . 1 . 2]" 1
2158 1 57 THR MG 1 72 SER QB . . 3.100 2.610 2.242 3.113 0.013 11 0 "[ . 1 . 2]" 1
2159 1 59 ARG H 1 59 ARG QD . . 5.180 4.098 3.538 4.504 . 0 0 "[ . 1 . 2]" 1
2160 1 59 ARG HA 1 72 SER QB . . 4.030 3.685 1.990 4.036 0.006 10 0 "[ . 1 . 2]" 1
2161 1 59 ARG HB2 1 72 SER QB . . 4.900 3.604 2.383 4.251 . 0 0 "[ . 1 . 2]" 1
2162 1 59 ARG HB3 1 72 SER QB . . 3.770 3.213 1.977 3.781 0.011 5 0 "[ . 1 . 2]" 1
2163 1 59 ARG QD 1 70 TYR QE . . 4.360 3.538 2.545 4.389 0.029 4 0 "[ . 1 . 2]" 1
2164 1 59 ARG QD 1 106 TRP HE1 . . 4.630 3.991 3.364 4.445 . 0 0 "[ . 1 . 2]" 1
2165 1 59 ARG QD 1 106 TRP HZ2 . . 4.090 3.291 2.750 4.135 0.045 8 0 "[ . 1 . 2]" 1
2166 1 59 ARG QD 1 106 TRP HH2 . . 5.340 3.598 2.559 4.742 . 0 0 "[ . 1 . 2]" 1
2167 1 60 TRP H 1 72 SER QB . . 5.340 5.083 3.677 5.384 0.044 3 0 "[ . 1 . 2]" 1
2168 1 60 TRP HE1 1 71 LYS QG . . 4.470 4.355 3.840 4.536 0.066 15 0 "[ . 1 . 2]" 1
2169 1 60 TRP HE1 1 85 LEU QB . . 5.340 4.914 4.707 5.061 . 0 0 "[ . 1 . 2]" 1
2170 1 60 TRP HZ3 1 73 GLU QB . . 4.050 2.859 2.204 4.060 0.010 11 0 "[ . 1 . 2]" 1
2171 1 60 TRP HZ3 1 73 GLU QG . . 4.830 3.880 3.051 4.730 . 0 0 "[ . 1 . 2]" 1
2172 1 60 TRP HZ2 1 71 LYS QG . . 4.270 3.270 2.715 4.093 . 0 0 "[ . 1 . 2]" 1
2173 1 60 TRP HZ2 1 71 LYS QD . . 3.520 2.064 1.874 2.383 . 0 0 "[ . 1 . 2]" 1
2174 1 60 TRP HZ2 1 73 GLU QB . . 5.250 4.774 4.075 5.272 0.022 20 0 "[ . 1 . 2]" 1
2175 1 60 TRP HZ2 1 73 GLU QG . . 5.300 4.220 3.559 5.215 . 0 0 "[ . 1 . 2]" 1
2176 1 60 TRP HH2 1 71 LYS QG . . 5.340 3.661 3.069 5.049 . 0 0 "[ . 1 . 2]" 1
2177 1 60 TRP HH2 1 73 GLU QB . . 3.620 2.614 2.098 3.100 . 0 0 "[ . 1 . 2]" 1
2178 1 60 TRP HH2 1 73 GLU QG . . 3.690 2.572 1.916 3.577 . 0 0 "[ . 1 . 2]" 1
2179 1 61 ARG H 1 61 ARG QG . . 4.190 3.730 2.296 4.270 0.080 8 0 "[ . 1 . 2]" 1
2180 1 61 ARG H 1 92 GLU QG . . 4.540 3.899 2.500 4.637 0.097 8 0 "[ . 1 . 2]" 1
2181 1 61 ARG QB 1 61 ARG HE . . 4.490 3.163 1.848 4.151 . 0 0 "[ . 1 . 2]" 1
2182 1 61 ARG QB 1 62 THR H . . 3.530 3.264 2.603 3.591 0.061 16 0 "[ . 1 . 2]" 1
2183 1 61 ARG QB 1 70 TYR H . . 4.990 4.444 3.824 5.008 0.018 10 0 "[ . 1 . 2]" 1
2184 1 61 ARG QB 1 70 TYR HA . . 3.730 2.290 1.890 2.832 . 0 0 "[ . 1 . 2]" 1
2185 1 61 ARG QB 1 70 TYR QD . . 5.340 2.886 2.576 3.481 . 0 0 "[ . 1 . 2]" 1
2186 1 61 ARG QB 1 70 TYR QE . . 4.220 3.049 2.471 4.176 . 0 0 "[ . 1 . 2]" 1
2187 1 61 ARG QG 1 62 THR H . . 4.170 2.845 2.021 4.198 0.028 3 0 "[ . 1 . 2]" 1
2188 1 61 ARG QG 1 70 TYR H . . 5.340 4.198 3.382 5.128 . 0 0 "[ . 1 . 2]" 1
2189 1 61 ARG QG 1 70 TYR HB2 . . 5.150 4.390 3.830 5.057 . 0 0 "[ . 1 . 2]" 1
2190 1 61 ARG QG 1 70 TYR HB3 . . 5.340 4.628 4.055 5.363 0.023 7 0 "[ . 1 . 2]" 1
2191 1 61 ARG QG 1 70 TYR QD . . 4.480 2.848 2.086 3.453 . 0 0 "[ . 1 . 2]" 1
2192 1 61 ARG QG 1 70 TYR QE . . 3.480 2.931 2.229 3.548 0.068 14 0 "[ . 1 . 2]" 1
2193 1 61 ARG QD 1 62 THR H . . 4.240 2.965 2.070 4.283 0.043 14 0 "[ . 1 . 2]" 1
2194 1 61 ARG QD 1 68 ALA MB . . 3.460 2.200 1.759 2.975 . 0 0 "[ . 1 . 2]" 1
2195 1 61 ARG QD 1 70 TYR QE . . 4.200 3.380 1.988 4.215 0.015 6 0 "[ . 1 . 2]" 1
2196 1 62 THR H 1 65 SER QB . . 5.190 4.337 3.920 4.724 . 0 0 "[ . 1 . 2]" 1
2197 1 62 THR HB 1 63 SER QB . . 5.340 4.973 4.748 5.303 . 0 0 "[ . 1 . 2]" 1
2198 1 62 THR HB 1 65 SER QB . . 3.950 2.038 1.901 2.394 . 0 0 "[ . 1 . 2]" 1
2199 1 63 SER H 1 63 SER QB . . 3.450 2.324 2.174 2.685 . 0 0 "[ . 1 . 2]" 1
2200 1 63 SER H 1 65 SER QB . . 5.340 4.302 4.037 4.594 . 0 0 "[ . 1 . 2]" 1
2201 1 63 SER HA 1 92 GLU QB . . 4.150 4.090 3.597 4.225 0.075 8 0 "[ . 1 . 2]" 1
2202 1 63 SER QB 1 64 PHE H . . 3.950 3.424 2.945 3.880 . 0 0 "[ . 1 . 2]" 1
2203 1 63 SER QB 1 64 PHE QD . . 4.360 2.715 1.967 3.593 . 0 0 "[ . 1 . 2]" 1
2204 1 63 SER QB 1 64 PHE QE . . 4.580 3.237 2.523 4.034 . 0 0 "[ . 1 . 2]" 1
2205 1 63 SER QB 1 90 MET HB2 . . 5.340 5.179 4.800 5.360 0.020 18 0 "[ . 1 . 2]" 1
2206 1 63 SER QB 1 90 MET HB3 . . 4.060 3.757 3.313 4.055 . 0 0 "[ . 1 . 2]" 1
2207 1 63 SER QB 1 90 MET HG2 . . 5.000 3.946 3.082 4.950 . 0 0 "[ . 1 . 2]" 1
2208 1 63 SER QB 1 90 MET ME . . 3.350 2.834 2.535 3.243 . 0 0 "[ . 1 . 2]" 1
2209 1 63 SER QB 1 111 HIS HE1 . . 3.980 3.639 2.300 3.987 0.007 5 0 "[ . 1 . 2]" 1
2210 1 64 PHE QB 1 65 SER H . . 4.040 3.873 3.759 3.911 . 0 0 "[ . 1 . 2]" 1
2211 1 65 SER QB 1 66 ALA HA . . 5.340 4.508 3.919 5.243 . 0 0 "[ . 1 . 2]" 1
2212 1 65 SER QB 1 68 ALA HA . . 5.340 4.951 3.829 5.315 . 0 0 "[ . 1 . 2]" 1
2213 1 65 SER QB 1 68 ALA MB . . 3.010 2.650 1.978 3.008 . 0 0 "[ . 1 . 2]" 1
2214 1 66 ALA MB 1 67 SER QB . . 4.160 3.319 3.058 3.661 . 0 0 "[ . 1 . 2]" 1
2215 1 68 ALA HA 1 69 LYS QB . . 4.440 4.262 4.155 4.401 . 0 0 "[ . 1 . 2]" 1
2216 1 68 ALA HA 1 69 LYS QG . . 4.220 3.935 3.748 4.222 0.002 6 0 "[ . 1 . 2]" 1
2217 1 69 LYS H 1 69 LYS QB . . 3.190 2.626 2.223 3.048 . 0 0 "[ . 1 . 2]" 1
2218 1 69 LYS H 1 69 LYS QG . . 3.570 2.382 1.884 3.268 . 0 0 "[ . 1 . 2]" 1
2219 1 69 LYS H 1 69 LYS QD . . 4.800 3.852 3.337 4.464 . 0 0 "[ . 1 . 2]" 1
2220 1 69 LYS HA 1 69 LYS QG . . 3.520 3.069 2.496 3.453 . 0 0 "[ . 1 . 2]" 1
2221 1 69 LYS HA 1 69 LYS QD . . 3.730 2.996 2.044 3.767 0.037 7 0 "[ . 1 . 2]" 1
2222 1 69 LYS QB 1 69 LYS QG . . 2.290 2.017 2.012 2.020 . 0 0 "[ . 1 . 2]" 1
2223 1 69 LYS QB 1 70 TYR H . . 3.940 2.934 2.441 3.498 . 0 0 "[ . 1 . 2]" 1
2224 1 69 LYS QG 1 70 TYR H . . 4.800 4.348 4.073 4.604 . 0 0 "[ . 1 . 2]" 1
2225 1 69 LYS QD 1 70 TYR H . . 3.890 3.305 2.863 3.724 . 0 0 "[ . 1 . 2]" 1
2226 1 70 TYR QE 1 92 GLU QG . . 5.340 3.714 2.840 5.336 . 0 0 "[ . 1 . 2]" 1
2227 1 71 LYS H 1 71 LYS QG . . 4.090 3.948 3.331 4.065 . 0 0 "[ . 1 . 2]" 1
2228 1 71 LYS HA 1 71 LYS QG . . 3.180 2.209 2.134 2.303 . 0 0 "[ . 1 . 2]" 1
2229 1 71 LYS HA 1 71 LYS QD . . 4.230 3.864 3.686 4.092 . 0 0 "[ . 1 . 2]" 1
2230 1 71 LYS QD 1 72 SER H . . 4.760 4.173 3.687 4.484 . 0 0 "[ . 1 . 2]" 1
2231 1 71 LYS QD 1 85 LEU MD2 . . 4.410 4.056 3.638 4.354 . 0 0 "[ . 1 . 2]" 1
2232 1 72 SER H 1 72 SER QB . . 3.690 3.137 2.750 3.308 . 0 0 "[ . 1 . 2]" 1
2233 1 72 SER HA 1 73 GLU QB . . 4.810 4.064 3.945 4.280 . 0 0 "[ . 1 . 2]" 1
2234 1 72 SER QB 1 73 GLU H . . 3.390 3.067 2.470 3.402 0.012 14 0 "[ . 1 . 2]" 1
2235 1 72 SER QB 1 106 TRP HH2 . . 4.310 3.749 3.132 4.282 . 0 0 "[ . 1 . 2]" 1
2236 1 73 GLU H 1 73 GLU QG . . 4.560 3.773 2.802 4.376 . 0 0 "[ . 1 . 2]" 1
2237 1 73 GLU HA 1 73 GLU QG . . 3.280 2.816 2.309 3.288 0.008 11 0 "[ . 1 . 2]" 1
2238 1 73 GLU QB 1 74 ASP H . . 3.870 2.980 2.231 3.688 . 0 0 "[ . 1 . 2]" 1
2239 1 73 GLU QB 1 74 ASP HA . . 4.740 4.364 4.090 4.741 0.001 10 0 "[ . 1 . 2]" 1
2240 1 73 GLU QB 1 80 TYR QE . . 3.730 2.652 2.005 3.796 0.066 11 0 "[ . 1 . 2]" 1
2241 1 73 GLU QG 1 74 ASP H . . 4.110 3.773 2.766 4.168 0.058 20 0 "[ . 1 . 2]" 1
2242 1 73 GLU QG 1 80 TYR QE . . 3.740 2.382 1.974 2.831 . 0 0 "[ . 1 . 2]" 1
2243 1 77 SER QB 1 78 LEU QB . . 4.430 4.234 4.104 4.399 . 0 0 "[ . 1 . 2]" 1
2244 1 78 LEU H 1 78 LEU QB . . 3.180 2.432 2.313 2.523 . 0 0 "[ . 1 . 2]" 1
2245 1 78 LEU H 1 78 LEU QD . . 3.420 3.251 3.154 3.408 . 0 0 "[ . 1 . 2]" 1
2246 1 78 LEU HA 1 78 LEU QD . . 2.790 2.144 1.982 2.292 . 0 0 "[ . 1 . 2]" 1
2247 1 78 LEU QB 1 78 LEU QD . . 2.560 1.909 1.848 1.948 . 0 0 "[ . 1 . 2]" 1
2248 1 78 LEU QB 1 79 SER H . . 3.890 3.712 3.540 3.801 . 0 0 "[ . 1 . 2]" 1
2249 1 78 LEU QD 1 79 SER H . . 4.960 4.459 4.407 4.512 . 0 0 "[ . 1 . 2]" 1
2250 1 83 THR HB 1 84 GLY QA . . 3.990 3.877 3.783 3.926 . 0 0 "[ . 1 . 2]" 1
2251 1 84 GLY QA 1 85 LEU HG . . 4.210 3.927 3.843 4.005 . 0 0 "[ . 1 . 2]" 1
2252 1 85 LEU H 1 85 LEU QB . . 3.560 2.738 2.630 2.816 . 0 0 "[ . 1 . 2]" 1
2253 1 85 LEU QB 1 85 LEU MD1 . . 3.160 2.042 1.953 2.098 . 0 0 "[ . 1 . 2]" 1
2254 1 85 LEU QB 1 85 LEU MD2 . . 2.860 2.155 2.028 2.249 . 0 0 "[ . 1 . 2]" 1
2255 1 85 LEU QB 1 86 LYS QB . . 5.100 3.940 3.867 4.039 . 0 0 "[ . 1 . 2]" 1
2256 1 85 LEU QB 1 91 TYR QE . . 3.310 2.012 1.951 2.280 . 0 0 "[ . 1 . 2]" 1
2257 1 87 PRO HA 1 88 ASN QB . . 5.010 4.500 4.182 4.912 . 0 0 "[ . 1 . 2]" 1
2258 1 87 PRO HB2 1 88 ASN QD . . 4.960 3.679 2.242 4.982 0.022 5 0 "[ . 1 . 2]" 1
2259 1 88 ASN HA 1 88 ASN QD . . 4.350 3.478 2.454 4.182 . 0 0 "[ . 1 . 2]" 1
2260 1 88 ASN QB 1 88 ASN QD . . 2.830 2.170 2.066 2.318 . 0 0 "[ . 1 . 2]" 1
2261 1 88 ASN QB 1 116 GLU HA . . 3.640 2.313 1.989 2.677 . 0 0 "[ . 1 . 2]" 1
2262 1 88 ASN QB 1 116 GLU HB2 . . 4.770 3.618 2.975 4.252 . 0 0 "[ . 1 . 2]" 1
2263 1 88 ASN QB 1 116 GLU HG2 . . 3.940 3.280 2.558 3.774 . 0 0 "[ . 1 . 2]" 1
2264 1 88 ASN QB 1 116 GLU HG3 . . 4.370 2.204 1.968 2.611 . 0 0 "[ . 1 . 2]" 1
2265 1 88 ASN QB 1 117 ALA H . . 4.790 3.522 3.380 3.862 . 0 0 "[ . 1 . 2]" 1
2266 1 88 ASN QD 1 116 GLU HG2 . . 4.260 3.618 2.963 4.285 0.025 11 0 "[ . 1 . 2]" 1
2267 1 88 ASN QD 1 116 GLU HG3 . . 4.340 2.941 1.878 4.240 . 0 0 "[ . 1 . 2]" 1
2268 1 92 GLU H 1 92 GLU QG . . 3.660 3.341 2.564 3.968 0.308 7 0 "[ . 1 . 2]" 1
2269 1 92 GLU QB 1 93 PHE H . . 3.970 3.422 2.852 3.697 . 0 0 "[ . 1 . 2]" 1
2270 1 92 GLU QB 1 109 THR HB . . 4.990 4.416 3.422 4.943 . 0 0 "[ . 1 . 2]" 1
2271 1 92 GLU QB 1 109 THR MG . . 3.120 2.175 1.748 2.578 . 0 0 "[ . 1 . 2]" 1
2272 1 92 GLU QG 1 93 PHE H . . 4.420 3.180 2.718 3.821 . 0 0 "[ . 1 . 2]" 1
2273 1 92 GLU QG 1 109 THR HB . . 4.060 4.035 3.746 4.314 0.254 20 0 "[ . 1 . 2]" 1
2274 1 92 GLU QG 1 109 THR MG . . 3.260 1.855 1.759 2.001 . 0 0 "[ . 1 . 2]" 1
2275 1 92 GLU QG 1 111 HIS HE1 . . 4.740 3.788 1.778 4.750 0.010 2 0 "[ . 1 . 2]" 1
2276 1 93 PHE H 1 94 SER QB . . 5.340 4.819 4.434 5.399 0.059 2 0 "[ . 1 . 2]" 1
2277 1 94 SER QB 1 95 VAL H . . 3.520 2.815 2.094 3.435 . 0 0 "[ . 1 . 2]" 1
2278 1 94 SER QB 1 106 TRP HB2 . . 5.010 3.783 3.282 4.628 . 0 0 "[ . 1 . 2]" 1
2279 1 94 SER QB 1 106 TRP HE3 . . 4.000 2.356 1.986 3.270 . 0 0 "[ . 1 . 2]" 1
2280 1 94 SER QB 1 107 SER H . . 4.620 4.029 3.227 4.549 . 0 0 "[ . 1 . 2]" 1
2281 1 94 SER QB 1 109 THR HA . . 3.990 3.343 2.655 3.993 0.003 2 0 "[ . 1 . 2]" 1
2282 1 94 SER QB 1 109 THR MG . . 4.140 3.528 2.340 4.162 0.022 5 0 "[ . 1 . 2]" 1
2283 1 95 VAL H 1 107 SER QB . . 4.180 3.638 3.103 4.191 0.011 19 0 "[ . 1 . 2]" 1
2284 1 95 VAL HB 1 107 SER QB . . 4.560 3.757 3.363 4.317 . 0 0 "[ . 1 . 2]" 1
2285 1 95 VAL MG2 1 107 SER QB . . 5.340 4.638 4.249 5.084 . 0 0 "[ . 1 . 2]" 1
2286 1 96 MET HA 1 97 VAL QG . . 4.030 3.569 3.385 3.746 . 0 0 "[ . 1 . 2]" 1
2287 1 96 MET ME 1 103 SER QB . . 2.770 1.852 1.769 1.913 . 0 0 "[ . 1 . 2]" 1
2288 1 97 VAL H 1 97 VAL QG . . 3.130 2.255 1.940 2.401 . 0 0 "[ . 1 . 2]" 1
2289 1 97 VAL H 1 104 SER QB . . 4.250 3.358 1.992 4.135 . 0 0 "[ . 1 . 2]" 1
2290 1 97 VAL HA 1 97 VAL QG . . 3.050 2.313 2.205 2.435 . 0 0 "[ . 1 . 2]" 1
2291 1 97 VAL QG 1 98 THR H . . 3.190 2.111 1.882 2.374 . 0 0 "[ . 1 . 2]" 1
2292 1 97 VAL QG 1 98 THR HB . . 4.570 4.185 4.028 4.308 . 0 0 "[ . 1 . 2]" 1
2293 1 97 VAL QG 1 99 LYS H . . 4.780 3.156 2.860 3.648 . 0 0 "[ . 1 . 2]" 1
2294 1 97 VAL QG 1 99 LYS QD . . 4.430 3.871 3.172 4.462 0.032 18 0 "[ . 1 . 2]" 1
2295 1 97 VAL QG 1 99 LYS QE . . 4.810 4.022 3.145 4.816 0.006 11 0 "[ . 1 . 2]" 1
2296 1 97 VAL QG 1 104 SER H . . 3.750 3.453 3.148 3.589 . 0 0 "[ . 1 . 2]" 1
2297 1 97 VAL QG 1 104 SER HA . . 5.440 4.553 4.198 4.863 . 0 0 "[ . 1 . 2]" 1
2298 1 97 VAL QG 1 104 SER QB . . 2.970 2.407 1.885 2.890 . 0 0 "[ . 1 . 2]" 1
2299 1 97 VAL QG 1 104 SER HG . . 3.850 2.922 2.310 3.261 . 0 0 "[ . 1 . 2]" 1
2300 1 97 VAL QG 1 105 THR H . . 5.040 4.618 3.551 5.052 0.012 8 0 "[ . 1 . 2]" 1
2301 1 98 THR HA 1 103 SER QB . . 4.440 3.757 3.467 4.170 . 0 0 "[ . 1 . 2]" 1
2302 1 98 THR MG 1 100 ASN QB . . 5.340 5.340 5.233 5.392 0.052 17 0 "[ . 1 . 2]" 1
2303 1 98 THR MG 1 103 SER QB . . 3.870 2.805 2.242 3.583 . 0 0 "[ . 1 . 2]" 1
2304 1 99 LYS H 1 99 LYS QB . . 3.540 2.535 2.457 2.568 . 0 0 "[ . 1 . 2]" 1
2305 1 99 LYS H 1 102 ARG QG . . 4.050 3.312 2.869 3.446 . 0 0 "[ . 1 . 2]" 1
2306 1 99 LYS HA 1 99 LYS QD . . 4.430 3.916 3.370 4.271 . 0 0 "[ . 1 . 2]" 1
2307 1 99 LYS QB 1 99 LYS QE . . 3.440 2.374 2.112 2.851 . 0 0 "[ . 1 . 2]" 1
2308 1 99 LYS QG 1 100 ASN QB . . 3.970 3.303 2.443 3.833 . 0 0 "[ . 1 . 2]" 1
2309 1 100 ASN QB 1 101 ARG H . . 3.980 3.859 3.783 3.943 . 0 0 "[ . 1 . 2]" 1
2310 1 100 ASN QB 1 101 ARG HA . . 5.340 5.264 5.198 5.335 . 0 0 "[ . 1 . 2]" 1
2311 1 100 ASN QB 1 101 ARG QB . . 5.200 4.445 4.002 5.109 . 0 0 "[ . 1 . 2]" 1
2312 1 100 ASN QB 1 101 ARG QG . . 5.270 4.698 3.353 5.602 0.332 17 0 "[ . 1 . 2]" 1
2313 1 100 ASN QB 1 102 ARG H . . 4.370 3.706 3.479 4.088 . 0 0 "[ . 1 . 2]" 1
2314 1 100 ASN QB 1 102 ARG QG . . 4.680 2.301 1.970 3.220 . 0 0 "[ . 1 . 2]" 1
2315 1 102 ARG H 1 102 ARG QG . . 3.310 2.717 2.557 2.869 . 0 0 "[ . 1 . 2]" 1
2316 1 102 ARG HA 1 102 ARG QG . . 3.390 3.317 3.257 3.340 . 0 0 "[ . 1 . 2]" 1
2317 1 102 ARG HA 1 102 ARG QD . . 4.520 4.355 4.180 4.548 0.028 5 0 "[ . 1 . 2]" 1
2318 1 102 ARG QB 1 102 ARG QD . . 3.180 2.199 2.052 2.389 . 0 0 "[ . 1 . 2]" 1
2319 1 102 ARG QB 1 103 SER QB . . 5.340 4.965 4.587 5.198 . 0 0 "[ . 1 . 2]" 1
2320 1 102 ARG QG 1 103 SER H . . 3.780 3.504 3.047 3.786 0.006 12 0 "[ . 1 . 2]" 1
2321 1 102 ARG QG 1 104 SER H . . 5.340 4.665 4.212 5.041 . 0 0 "[ . 1 . 2]" 1
2322 1 103 SER H 1 103 SER QB . . 3.210 2.716 2.222 3.040 . 0 0 "[ . 1 . 2]" 1
2323 1 103 SER QB 1 104 SER H . . 3.470 2.900 2.629 3.146 . 0 0 "[ . 1 . 2]" 1
2324 1 103 SER QB 1 104 SER HA . . 5.190 4.524 4.229 4.832 . 0 0 "[ . 1 . 2]" 1
2325 1 104 SER H 1 104 SER QB . . 3.280 2.498 2.178 2.763 . 0 0 "[ . 1 . 2]" 1
2326 1 104 SER QB 1 105 THR H . . 3.230 2.471 2.061 3.073 . 0 0 "[ . 1 . 2]" 1
2327 1 104 SER QB 1 105 THR MG . . 5.340 3.580 3.026 4.248 . 0 0 "[ . 1 . 2]" 1
2328 1 107 SER H 1 107 SER QB . . 3.400 2.448 2.246 2.729 . 0 0 "[ . 1 . 2]" 1
2329 1 107 SER HA 1 108 MET QG . . 4.600 4.354 4.195 4.474 . 0 0 "[ . 1 . 2]" 1
2330 1 107 SER QB 1 108 MET H . . 3.610 2.630 1.949 3.196 . 0 0 "[ . 1 . 2]" 1
2331 1 107 SER QB 1 108 MET QG . . 4.210 3.273 2.756 3.745 . 0 0 "[ . 1 . 2]" 1
2332 1 107 SER HG 1 108 MET QG . . 4.730 2.707 2.003 3.487 . 0 0 "[ . 1 . 2]" 1
2333 1 108 MET H 1 108 MET QG . . 3.270 2.171 2.024 2.341 . 0 0 "[ . 1 . 2]" 1
2334 1 108 MET HA 1 108 MET QG . . 3.650 3.347 3.317 3.454 . 0 0 "[ . 1 . 2]" 1
2335 1 108 MET ME 1 108 MET QG . . 3.080 2.205 2.014 2.412 . 0 0 "[ . 1 . 2]" 1
2336 1 108 MET QG 1 109 THR H . . 4.350 4.223 4.039 4.387 0.037 11 0 "[ . 1 . 2]" 1
2337 1 108 MET QG 1 110 ALA MB . . 4.830 4.562 4.188 4.845 0.015 20 0 "[ . 1 . 2]" 1
2338 1 117 ALA MB 1 118 SER QB . . 4.390 3.847 3.167 4.395 0.005 19 0 "[ . 1 . 2]" 1
2339 1 119 GLY QA 1 120 PRO QG . . 4.290 3.703 3.641 3.965 . 0 0 "[ . 1 . 2]" 1
2340 1 119 GLY QA 1 120 PRO QD . . 2.720 1.926 1.844 2.166 . 0 0 "[ . 1 . 2]" 1
2341 1 120 PRO QB 1 121 SER H . . 4.070 3.145 2.201 3.850 . 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 1
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.021
_Distance_constraint_stats_list.Viol_max 0.001
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 63 SER 0.001 0.001 5 0 "[ . 1 . 2]"
1 64 PHE 0.001 0.001 5 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 63 SER HA 1 64 PHE H . . 2.200 2.158 2.137 2.201 0.001 5 0 "[ . 1 . 2]" 2
stop_
save_
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