NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424943 |
2ga5   |
6356 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ga5
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 1271
_Distance_constraint_stats_list.Viol_count 1842
_Distance_constraint_stats_list.Viol_total 753.810
_Distance_constraint_stats_list.Viol_max 0.609
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0205
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.159 0.040 11 0 "[ . 1 . 2]"
1 3 SER 0.079 0.040 11 0 "[ . 1 . 2]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 1.141 0.029 13 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.006 0.003 18 0 "[ . 1 . 2]"
1 11 PRO 0.184 0.184 13 0 "[ . 1 . 2]"
1 12 GLN 0.362 0.188 13 0 "[ . 1 . 2]"
1 13 GLU 0.362 0.188 13 0 "[ . 1 . 2]"
1 14 VAL 0.214 0.184 13 0 "[ . 1 . 2]"
1 15 LEU 0.054 0.025 13 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.005 0.003 6 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.005 0.003 6 0 "[ . 1 . 2]"
1 20 GLU 0.057 0.008 14 0 "[ . 1 . 2]"
1 21 LYS 0.062 0.006 8 0 "[ . 1 . 2]"
1 22 TYR 0.226 0.019 8 0 "[ . 1 . 2]"
1 23 HIS 0.088 0.019 8 0 "[ . 1 . 2]"
1 24 GLU 1.158 0.071 8 0 "[ . 1 . 2]"
1 25 GLU 0.175 0.029 8 0 "[ . 1 . 2]"
1 26 ALA 0.104 0.021 8 0 "[ . 1 . 2]"
1 27 ASP 0.782 0.040 18 0 "[ . 1 . 2]"
1 28 ASP 0.534 0.045 8 0 "[ . 1 . 2]"
1 29 TYR 0.994 0.128 19 0 "[ . 1 . 2]"
1 30 LEU 1.250 0.045 8 0 "[ . 1 . 2]"
1 31 ASP 0.323 0.035 1 0 "[ . 1 . 2]"
1 32 HIS 1.796 0.122 1 0 "[ . 1 . 2]"
1 33 LEU 3.449 0.084 16 0 "[ . 1 . 2]"
1 34 LEU 1.814 0.066 16 0 "[ . 1 . 2]"
1 35 ASP 6.470 0.122 1 0 "[ . 1 . 2]"
1 36 SER 2.736 0.081 20 0 "[ . 1 . 2]"
1 37 LEU 1.008 0.062 3 0 "[ . 1 . 2]"
1 38 GLU 0.150 0.036 3 0 "[ . 1 . 2]"
1 39 GLU 0.318 0.030 19 0 "[ . 1 . 2]"
1 40 LEU 1.362 0.074 9 0 "[ . 1 . 2]"
1 41 SER 0.099 0.020 20 0 "[ . 1 . 2]"
1 42 GLU 1.099 0.112 16 0 "[ . 1 . 2]"
1 43 ALA 0.477 0.065 14 0 "[ . 1 . 2]"
1 44 HIS 1.461 0.112 16 0 "[ . 1 . 2]"
1 45 PRO 1.002 0.083 10 0 "[ . 1 . 2]"
1 46 ASP 0.344 0.063 1 0 "[ . 1 . 2]"
1 47 CYS 0.117 0.055 4 0 "[ . 1 . 2]"
1 48 ILE 2.952 0.192 14 0 "[ . 1 . 2]"
1 49 PRO 4.671 0.192 14 0 "[ . 1 . 2]"
1 50 ASP 1.838 0.104 19 0 "[ . 1 . 2]"
1 51 VAL 0.359 0.036 3 0 "[ . 1 . 2]"
1 52 GLU 0.036 0.017 9 0 "[ . 1 . 2]"
1 53 LEU 0.244 0.018 8 0 "[ . 1 . 2]"
1 54 SER 0.532 0.067 20 0 "[ . 1 . 2]"
1 55 HIS 0.130 0.019 20 0 "[ . 1 . 2]"
1 56 GLY 0.386 0.048 12 0 "[ . 1 . 2]"
1 57 VAL 0.936 0.067 20 0 "[ . 1 . 2]"
1 58 MET 0.217 0.018 8 0 "[ . 1 . 2]"
1 59 THR 0.028 0.012 19 0 "[ . 1 . 2]"
1 60 LEU 0.155 0.014 3 0 "[ . 1 . 2]"
1 61 GLU 0.353 0.050 17 0 "[ . 1 . 2]"
1 62 ILE 0.243 0.027 17 0 "[ . 1 . 2]"
1 63 PRO 0.013 0.013 6 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 0.712 0.609 11 1 "[ . 1+ . 2]"
1 66 GLY 0.042 0.027 17 0 "[ . 1 . 2]"
1 67 THR 0.258 0.050 17 0 "[ . 1 . 2]"
1 68 TYR 0.345 0.048 1 0 "[ . 1 . 2]"
1 69 VAL 0.735 0.098 1 0 "[ . 1 . 2]"
1 70 ILE 0.382 0.039 15 0 "[ . 1 . 2]"
1 71 ASN 0.381 0.039 1 0 "[ . 1 . 2]"
1 72 LYS 0.146 0.021 10 0 "[ . 1 . 2]"
1 73 GLN 0.127 0.035 1 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 0.017 0.011 8 0 "[ . 1 . 2]"
1 77 LYS 0.380 0.059 17 0 "[ . 1 . 2]"
1 78 GLN 0.386 0.059 17 0 "[ . 1 . 2]"
1 79 ILE 0.496 0.086 18 0 "[ . 1 . 2]"
1 80 TRP 0.717 0.119 18 0 "[ . 1 . 2]"
1 81 LEU 0.107 0.012 17 0 "[ . 1 . 2]"
1 82 ALA 0.256 0.053 1 0 "[ . 1 . 2]"
1 83 SER 0.726 0.098 1 0 "[ . 1 . 2]"
1 84 PRO 0.119 0.055 11 0 "[ . 1 . 2]"
1 85 LEU 0.225 0.095 16 0 "[ . 1 . 2]"
1 86 SER 0.006 0.006 18 0 "[ . 1 . 2]"
1 87 GLY 0.266 0.058 1 0 "[ . 1 . 2]"
1 88 PRO 0.303 0.037 18 0 "[ . 1 . 2]"
1 89 ASN 0.359 0.037 18 0 "[ . 1 . 2]"
1 90 ARG 0.078 0.018 15 0 "[ . 1 . 2]"
1 91 PHE 0.214 0.026 17 0 "[ . 1 . 2]"
1 92 ASP 0.081 0.037 18 0 "[ . 1 . 2]"
1 93 LEU 0.041 0.027 18 0 "[ . 1 . 2]"
1 94 LEU 0.002 0.002 15 0 "[ . 1 . 2]"
1 95 ASN 0.118 0.043 1 0 "[ . 1 . 2]"
1 96 GLY 0.118 0.043 1 0 "[ . 1 . 2]"
1 97 GLU 0.008 0.004 20 0 "[ . 1 . 2]"
1 98 TRP 0.800 0.059 19 0 "[ . 1 . 2]"
1 99 VAL 0.003 0.002 17 0 "[ . 1 . 2]"
1 100 SER 0.024 0.018 14 0 "[ . 1 . 2]"
1 101 LEU 0.051 0.049 14 0 "[ . 1 . 2]"
1 102 ARG 0.103 0.050 12 0 "[ . 1 . 2]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.019 0.004 15 0 "[ . 1 . 2]"
1 105 THR 0.122 0.018 14 0 "[ . 1 . 2]"
1 106 LYS 0.002 0.002 17 0 "[ . 1 . 2]"
1 107 LEU 0.221 0.012 15 0 "[ . 1 . 2]"
1 108 THR 0.061 0.007 20 0 "[ . 1 . 2]"
1 109 ASP 1.820 0.061 16 0 "[ . 1 . 2]"
1 110 ILE 3.158 0.083 18 0 "[ . 1 . 2]"
1 111 LEU 3.013 0.085 18 0 "[ . 1 . 2]"
1 112 THR 0.568 0.046 19 0 "[ . 1 . 2]"
1 113 GLU 0.205 0.014 3 0 "[ . 1 . 2]"
1 114 GLU 1.821 0.060 19 0 "[ . 1 . 2]"
1 115 VAL 0.452 0.025 5 0 "[ . 1 . 2]"
1 116 GLU 0.790 0.038 9 0 "[ . 1 . 2]"
1 117 LYS 0.149 0.014 6 0 "[ . 1 . 2]"
1 118 ALA 0.748 0.038 9 0 "[ . 1 . 2]"
1 119 ILE 0.781 0.609 11 1 "[ . 1+ . 2]"
1 120 SER 0.087 0.006 6 0 "[ . 1 . 2]"
1 121 LYS 0.109 0.014 6 0 "[ . 1 . 2]"
1 122 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 GLN 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 1 MET H1 1 1 MET HA . . 2.710 2.434 2.275 2.708 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU H 1 2 GLU HA . . 2.770 2.695 2.293 2.770 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU H 1 2 GLU HB2 . . 4.040 3.900 3.577 4.040 0.000 5 0 "[ . 1 . 2]" 1
4 1 2 GLU H 1 2 GLU HB3 . . 4.140 3.378 2.554 3.775 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HA 1 2 GLU HB2 . . 2.590 2.578 2.497 2.630 0.040 11 0 "[ . 1 . 2]" 1
6 1 2 GLU HA 1 2 GLU HB3 . . 2.400 2.335 2.300 2.399 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU HB2 1 3 SER H . . 4.660 3.023 2.060 3.950 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU HB3 1 3 SER H . . 4.320 3.889 3.417 4.360 0.040 11 0 "[ . 1 . 2]" 1
9 1 2 GLU QG 1 3 SER H . . 5.730 4.172 2.389 4.622 . 0 0 "[ . 1 . 2]" 1
10 1 3 SER HA 1 4 SER H . . 3.170 2.328 2.141 2.814 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR HA 1 6 ASP H . . 3.080 2.430 2.142 2.790 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY H 1 8 GLN H . . 4.790 3.591 1.864 4.464 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLN HA 1 8 GLN HB2 . . 2.770 2.667 2.451 2.749 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLN HA 1 9 VAL H . . 2.400 2.271 2.146 2.400 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLN HB3 1 8 GLN HG2 . . 2.400 2.429 2.427 2.429 0.029 8 0 "[ . 1 . 2]" 1
16 1 8 GLN HB3 1 8 GLN HG3 . . 2.400 2.429 2.428 2.429 0.029 13 0 "[ . 1 . 2]" 1
17 1 9 VAL H 1 9 VAL HA . . 3.000 2.892 2.699 2.950 . 0 0 "[ . 1 . 2]" 1
18 1 9 VAL H 1 9 VAL HB . . 2.680 2.580 2.435 2.678 . 0 0 "[ . 1 . 2]" 1
19 1 9 VAL H 1 9 VAL MG2 . . 4.110 2.775 1.965 3.781 . 0 0 "[ . 1 . 2]" 1
20 1 9 VAL H 1 10 VAL H . . 5.000 3.594 1.994 4.631 . 0 0 "[ . 1 . 2]" 1
21 1 10 VAL HA 1 10 VAL HB . . 3.000 2.635 2.249 3.003 0.003 18 0 "[ . 1 . 2]" 1
22 1 11 PRO HA 1 12 GLN H . . 2.770 2.537 2.162 2.576 . 0 0 "[ . 1 . 2]" 1
23 1 11 PRO HA 1 14 VAL HB . . 3.980 3.963 3.855 4.164 0.184 13 0 "[ . 1 . 2]" 1
24 1 12 GLN H 1 13 GLU H . . 4.570 2.329 2.292 2.507 . 0 0 "[ . 1 . 2]" 1
25 1 12 GLN H 1 14 VAL H . . 5.500 4.064 3.790 4.187 . 0 0 "[ . 1 . 2]" 1
26 1 12 GLN HA 1 13 GLU H . . 3.330 3.348 3.338 3.518 0.188 13 0 "[ . 1 . 2]" 1
27 1 12 GLN QB 1 13 GLU H . . 4.520 3.240 2.786 3.475 . 0 0 "[ . 1 . 2]" 1
28 1 13 GLU H 1 13 GLU QB . . 3.800 2.457 2.142 2.821 . 0 0 "[ . 1 . 2]" 1
29 1 13 GLU H 1 14 VAL H . . 3.330 2.263 2.233 2.453 . 0 0 "[ . 1 . 2]" 1
30 1 13 GLU HA 1 14 VAL H . . 3.600 3.474 3.415 3.530 . 0 0 "[ . 1 . 2]" 1
31 1 13 GLU QB 1 14 VAL H . . 4.240 3.105 2.691 3.675 . 0 0 "[ . 1 . 2]" 1
32 1 14 VAL H 1 14 VAL HB . . 2.900 2.143 2.096 2.248 . 0 0 "[ . 1 . 2]" 1
33 1 14 VAL H 1 14 VAL MG1 . . 4.360 3.404 3.164 3.646 . 0 0 "[ . 1 . 2]" 1
34 1 14 VAL H 1 15 LEU H . . 2.770 2.615 2.264 2.795 0.025 13 0 "[ . 1 . 2]" 1
35 1 14 VAL HA 1 14 VAL HB . . 2.990 2.896 2.808 2.967 . 0 0 "[ . 1 . 2]" 1
36 1 14 VAL HA 1 14 VAL MG1 . . 3.430 2.849 2.682 2.997 . 0 0 "[ . 1 . 2]" 1
37 1 14 VAL HA 1 14 VAL MG2 . . 3.430 2.081 1.965 2.189 . 0 0 "[ . 1 . 2]" 1
38 1 14 VAL HA 1 15 LEU H . . 3.600 3.488 3.434 3.540 . 0 0 "[ . 1 . 2]" 1
39 1 14 VAL HB 1 15 LEU H . . 3.270 3.241 3.116 3.275 0.005 13 0 "[ . 1 . 2]" 1
40 1 15 LEU H 1 15 LEU HB2 . . 3.600 3.055 2.237 3.599 . 0 0 "[ . 1 . 2]" 1
41 1 15 LEU H 1 15 LEU HB3 . . 3.600 2.858 2.197 3.584 . 0 0 "[ . 1 . 2]" 1
42 1 15 LEU H 1 15 LEU HG . . 3.700 2.986 1.930 3.663 . 0 0 "[ . 1 . 2]" 1
43 1 15 LEU H 1 15 LEU MD1 . . 5.380 3.576 1.925 4.216 . 0 0 "[ . 1 . 2]" 1
44 1 15 LEU H 1 15 LEU MD2 . . 5.380 3.077 1.954 4.276 . 0 0 "[ . 1 . 2]" 1
45 1 15 LEU H 1 15 LEU QD . . 4.700 2.580 1.922 3.139 . 0 0 "[ . 1 . 2]" 1
46 1 15 LEU H 1 16 ASN H . . 3.270 2.547 2.256 2.805 . 0 0 "[ . 1 . 2]" 1
47 1 15 LEU HA 1 15 LEU HB3 . . 2.600 2.557 2.392 2.623 0.023 10 0 "[ . 1 . 2]" 1
48 1 15 LEU HA 1 16 ASN H . . 3.610 3.444 3.319 3.510 . 0 0 "[ . 1 . 2]" 1
49 1 15 LEU HB2 1 16 ASN H . . 4.660 3.695 2.844 4.422 . 0 0 "[ . 1 . 2]" 1
50 1 15 LEU HB3 1 15 LEU HG . . 2.700 2.639 2.286 2.700 0.000 6 0 "[ . 1 . 2]" 1
51 1 15 LEU HB3 1 16 ASN H . . 5.100 3.867 3.528 4.334 . 0 0 "[ . 1 . 2]" 1
52 1 16 ASN H 1 16 ASN HB2 . . 3.640 2.974 2.172 3.636 . 0 0 "[ . 1 . 2]" 1
53 1 16 ASN H 1 16 ASN HB3 . . 3.640 3.322 2.532 3.617 . 0 0 "[ . 1 . 2]" 1
54 1 16 ASN H 1 17 LEU H . . 4.450 3.627 2.088 4.378 . 0 0 "[ . 1 . 2]" 1
55 1 16 ASN HB2 1 17 LEU H . . 3.890 3.246 1.900 3.726 . 0 0 "[ . 1 . 2]" 1
56 1 16 ASN HB3 1 17 LEU H . . 4.170 2.479 1.900 4.028 . 0 0 "[ . 1 . 2]" 1
57 1 17 LEU HA 1 19 LEU QD . . 8.100 5.572 5.480 5.811 . 0 0 "[ . 1 . 2]" 1
58 1 17 LEU QB 1 19 LEU QD . . 8.970 4.338 4.113 4.705 . 0 0 "[ . 1 . 2]" 1
59 1 17 LEU HG 1 19 LEU HG . . 2.600 2.552 2.111 2.603 0.003 6 0 "[ . 1 . 2]" 1
60 1 17 LEU HG 1 19 LEU QD . . 8.100 3.168 2.769 3.392 . 0 0 "[ . 1 . 2]" 1
61 1 17 LEU MD1 1 19 LEU MD1 . . 7.590 4.219 3.892 4.789 . 0 0 "[ . 1 . 2]" 1
62 1 17 LEU MD1 1 19 LEU MD2 . . 7.590 3.319 2.620 3.683 . 0 0 "[ . 1 . 2]" 1
63 1 17 LEU MD1 1 22 TYR QD . . 5.380 3.956 3.615 4.050 . 0 0 "[ . 1 . 2]" 1
64 1 17 LEU MD2 1 19 LEU MD1 . . 7.590 4.117 3.521 4.376 . 0 0 "[ . 1 . 2]" 1
65 1 17 LEU MD2 1 19 LEU MD2 . . 7.590 3.211 2.045 3.715 . 0 0 "[ . 1 . 2]" 1
66 1 17 LEU MD2 1 22 TYR QD . . 5.380 5.036 4.401 5.230 . 0 0 "[ . 1 . 2]" 1
67 1 17 LEU QD 1 19 LEU HG . . 7.480 2.787 2.565 3.010 . 0 0 "[ . 1 . 2]" 1
68 1 17 LEU QD 1 19 LEU QD . . 5.820 2.762 1.964 3.040 . 0 0 "[ . 1 . 2]" 1
69 1 17 LEU QD 1 22 TYR QE . . 5.300 4.934 4.644 5.054 . 0 0 "[ . 1 . 2]" 1
70 1 17 LEU QD 1 22 TYR QD . . 4.580 3.818 3.457 3.911 . 0 0 "[ . 1 . 2]" 1
71 1 18 PRO HA 1 20 GLU H . . 4.820 3.650 3.527 3.688 . 0 0 "[ . 1 . 2]" 1
72 1 18 PRO HA 1 21 LYS QB . . 4.420 4.240 3.948 4.394 . 0 0 "[ . 1 . 2]" 1
73 1 18 PRO HA 1 22 TYR H . . 5.500 5.183 5.036 5.272 . 0 0 "[ . 1 . 2]" 1
74 1 18 PRO QB 1 21 LYS H . . 5.630 2.423 2.277 2.954 . 0 0 "[ . 1 . 2]" 1
75 1 18 PRO QB 1 21 LYS QB . . 7.250 1.953 1.810 2.043 . 0 0 "[ . 1 . 2]" 1
76 1 18 PRO QB 1 21 LYS QG . . 7.250 3.148 1.884 3.872 . 0 0 "[ . 1 . 2]" 1
77 1 18 PRO QG 1 21 LYS QB . . 4.710 2.208 1.948 3.132 . 0 0 "[ . 1 . 2]" 1
78 1 19 LEU H 1 19 LEU HB2 . . 3.670 2.440 2.141 2.526 . 0 0 "[ . 1 . 2]" 1
79 1 19 LEU H 1 19 LEU HB3 . . 3.890 3.583 3.462 3.605 . 0 0 "[ . 1 . 2]" 1
80 1 19 LEU H 1 19 LEU HG . . 5.500 2.500 2.364 3.103 . 0 0 "[ . 1 . 2]" 1
81 1 19 LEU H 1 20 GLU H . . 4.450 2.959 2.766 3.009 . 0 0 "[ . 1 . 2]" 1
82 1 19 LEU H 1 21 LYS H . . 5.500 4.414 4.232 4.501 . 0 0 "[ . 1 . 2]" 1
83 1 19 LEU HA 1 21 LYS H . . 4.800 4.474 4.303 4.610 . 0 0 "[ . 1 . 2]" 1
84 1 19 LEU HA 1 22 TYR H . . 5.500 3.357 3.247 3.474 . 0 0 "[ . 1 . 2]" 1
85 1 19 LEU HA 1 22 TYR HB2 . . 4.970 3.680 3.435 3.908 . 0 0 "[ . 1 . 2]" 1
86 1 19 LEU HA 1 22 TYR HB3 . . 4.320 2.408 2.199 2.605 . 0 0 "[ . 1 . 2]" 1
87 1 19 LEU HA 1 23 HIS H . . 5.500 4.163 3.946 4.296 . 0 0 "[ . 1 . 2]" 1
88 1 19 LEU HB2 1 20 GLU H . . 3.050 2.555 2.503 2.810 . 0 0 "[ . 1 . 2]" 1
89 1 19 LEU HB2 1 19 LEU HG . . 2.800 2.678 2.438 2.774 . 0 0 "[ . 1 . 2]" 1
90 1 19 LEU HB2 1 20 GLU QG . . 6.380 4.837 3.645 6.041 . 0 0 "[ . 1 . 2]" 1
91 1 19 LEU HB3 1 20 GLU H . . 3.420 3.361 3.041 3.420 0.000 6 0 "[ . 1 . 2]" 1
92 1 20 GLU H 1 20 GLU QB . . 3.900 2.149 2.044 2.384 . 0 0 "[ . 1 . 2]" 1
93 1 20 GLU H 1 21 LYS H . . 3.420 2.810 2.735 2.868 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLU H 1 22 TYR H . . 5.500 4.053 3.973 4.096 . 0 0 "[ . 1 . 2]" 1
95 1 20 GLU HA 1 22 TYR H . . 4.260 4.251 4.195 4.265 0.005 18 0 "[ . 1 . 2]" 1
96 1 20 GLU HA 1 23 HIS H . . 3.670 3.604 3.492 3.678 0.008 14 0 "[ . 1 . 2]" 1
97 1 20 GLU HA 1 23 HIS HB2 . . 4.200 3.370 2.904 3.826 . 0 0 "[ . 1 . 2]" 1
98 1 20 GLU HA 1 23 HIS HB3 . . 5.500 3.929 3.324 4.701 . 0 0 "[ . 1 . 2]" 1
99 1 20 GLU HA 1 24 GLU H . . 4.820 4.291 4.123 4.396 . 0 0 "[ . 1 . 2]" 1
100 1 20 GLU QB 1 23 HIS HB2 . . 6.380 5.329 4.654 5.809 . 0 0 "[ . 1 . 2]" 1
101 1 20 GLU QG 1 21 LYS H . . 6.380 4.233 3.510 4.440 . 0 0 "[ . 1 . 2]" 1
102 1 20 GLU QG 1 23 HIS HB2 . . 6.380 4.880 4.208 5.463 . 0 0 "[ . 1 . 2]" 1
103 1 20 GLU QG 1 23 HIS HB3 . . 6.380 5.010 4.294 5.908 . 0 0 "[ . 1 . 2]" 1
104 1 21 LYS H 1 21 LYS QB . . 3.830 2.265 2.109 2.445 . 0 0 "[ . 1 . 2]" 1
105 1 21 LYS H 1 21 LYS QE . . 6.380 4.746 3.174 5.896 . 0 0 "[ . 1 . 2]" 1
106 1 21 LYS H 1 22 TYR H . . 2.900 2.607 2.519 2.704 . 0 0 "[ . 1 . 2]" 1
107 1 21 LYS H 1 22 TYR HB2 . . 5.500 5.439 5.168 5.506 0.006 8 0 "[ . 1 . 2]" 1
108 1 21 LYS H 1 23 HIS H . . 4.350 4.339 4.230 4.355 0.005 18 0 "[ . 1 . 2]" 1
109 1 21 LYS HA 1 21 LYS QD . . 4.830 3.147 2.006 4.181 . 0 0 "[ . 1 . 2]" 1
110 1 21 LYS HA 1 21 LYS QE . . 4.390 3.525 2.139 4.376 . 0 0 "[ . 1 . 2]" 1
111 1 21 LYS HA 1 23 HIS H . . 5.130 4.557 4.439 4.745 . 0 0 "[ . 1 . 2]" 1
112 1 21 LYS HA 1 24 GLU H . . 3.620 3.433 3.333 3.601 . 0 0 "[ . 1 . 2]" 1
113 1 21 LYS HA 1 24 GLU HB2 . . 2.820 2.407 2.230 2.714 . 0 0 "[ . 1 . 2]" 1
114 1 21 LYS HA 1 24 GLU HB3 . . 4.320 3.822 3.579 4.107 . 0 0 "[ . 1 . 2]" 1
115 1 21 LYS HA 1 25 GLU H . . 5.500 4.023 3.798 4.166 . 0 0 "[ . 1 . 2]" 1
116 1 21 LYS QB 1 22 TYR H . . 4.890 2.738 2.670 2.831 . 0 0 "[ . 1 . 2]" 1
117 1 22 TYR H 1 22 TYR HA . . 2.930 2.831 2.819 2.851 . 0 0 "[ . 1 . 2]" 1
118 1 22 TYR H 1 22 TYR HB2 . . 3.830 2.971 2.765 3.140 . 0 0 "[ . 1 . 2]" 1
119 1 22 TYR H 1 22 TYR HB3 . . 3.390 2.186 2.109 2.324 . 0 0 "[ . 1 . 2]" 1
120 1 22 TYR H 1 23 HIS H . . 2.830 2.656 2.561 2.687 . 0 0 "[ . 1 . 2]" 1
121 1 22 TYR H 1 24 GLU H . . 5.310 3.861 3.755 3.954 . 0 0 "[ . 1 . 2]" 1
122 1 22 TYR HA 1 23 HIS H . . 4.400 3.550 3.538 3.559 . 0 0 "[ . 1 . 2]" 1
123 1 22 TYR HA 1 24 GLU H . . 4.210 4.217 4.215 4.222 0.012 1 0 "[ . 1 . 2]" 1
124 1 22 TYR HA 1 25 GLU H . . 4.450 3.615 3.432 3.789 . 0 0 "[ . 1 . 2]" 1
125 1 22 TYR HA 1 25 GLU QB . . 5.480 3.107 2.668 3.447 . 0 0 "[ . 1 . 2]" 1
126 1 22 TYR HA 1 25 GLU QG . . 6.380 3.757 2.623 4.718 . 0 0 "[ . 1 . 2]" 1
127 1 22 TYR HA 1 26 ALA H . . 4.510 3.813 3.517 3.974 . 0 0 "[ . 1 . 2]" 1
128 1 22 TYR HB2 1 23 HIS H . . 4.060 4.016 3.926 4.079 0.019 8 0 "[ . 1 . 2]" 1
129 1 22 TYR HB3 1 22 TYR QD . . 2.690 2.495 2.347 2.547 . 0 0 "[ . 1 . 2]" 1
130 1 22 TYR HB3 1 23 HIS H . . 3.080 2.740 2.552 2.848 . 0 0 "[ . 1 . 2]" 1
131 1 22 TYR QD 1 25 GLU QB . . 6.360 5.147 4.429 5.557 . 0 0 "[ . 1 . 2]" 1
132 1 22 TYR QD 1 26 ALA MB . . 5.530 3.727 3.292 4.043 . 0 0 "[ . 1 . 2]" 1
133 1 22 TYR QD 1 72 LYS QG . . 6.790 5.478 4.950 6.333 . 0 0 "[ . 1 . 2]" 1
134 1 22 TYR QE 1 26 ALA MB . . 4.920 3.481 2.986 3.826 . 0 0 "[ . 1 . 2]" 1
135 1 22 TYR QE 1 72 LYS QD . . 6.970 4.212 2.942 5.917 . 0 0 "[ . 1 . 2]" 1
136 1 22 TYR QE 1 78 GLN H . . 4.570 4.032 3.004 4.564 . 0 0 "[ . 1 . 2]" 1
137 1 22 TYR QE 1 79 ILE QG . . 6.500 5.656 4.510 6.367 . 0 0 "[ . 1 . 2]" 1
138 1 23 HIS H 1 23 HIS HB2 . . 3.420 2.199 2.076 2.376 . 0 0 "[ . 1 . 2]" 1
139 1 23 HIS H 1 24 GLU H . . 2.900 2.553 2.461 2.636 . 0 0 "[ . 1 . 2]" 1
140 1 23 HIS H 1 25 GLU H . . 4.480 4.283 4.107 4.452 . 0 0 "[ . 1 . 2]" 1
141 1 23 HIS HA 1 25 GLU H . . 5.500 4.526 4.377 4.725 . 0 0 "[ . 1 . 2]" 1
142 1 23 HIS HA 1 26 ALA H . . 5.500 3.815 3.695 3.971 . 0 0 "[ . 1 . 2]" 1
143 1 23 HIS HA 1 26 ALA MB . . 4.480 2.910 2.654 3.198 . 0 0 "[ . 1 . 2]" 1
144 1 23 HIS HA 1 27 ASP H . . 5.100 3.518 3.409 3.751 . 0 0 "[ . 1 . 2]" 1
145 1 23 HIS HB2 1 24 GLU H . . 3.920 3.476 2.875 3.836 . 0 0 "[ . 1 . 2]" 1
146 1 23 HIS HB3 1 24 GLU H . . 4.820 3.156 2.831 3.784 . 0 0 "[ . 1 . 2]" 1
147 1 24 GLU H 1 24 GLU HA . . 2.800 2.849 2.841 2.871 0.071 8 0 "[ . 1 . 2]" 1
148 1 24 GLU H 1 24 GLU HB2 . . 2.930 2.177 2.092 2.322 . 0 0 "[ . 1 . 2]" 1
149 1 24 GLU H 1 24 GLU HB3 . . 3.600 3.466 3.365 3.564 . 0 0 "[ . 1 . 2]" 1
150 1 24 GLU H 1 25 GLU H . . 3.050 2.582 2.456 2.679 . 0 0 "[ . 1 . 2]" 1
151 1 24 GLU H 1 26 ALA H . . 4.600 4.239 4.121 4.340 . 0 0 "[ . 1 . 2]" 1
152 1 24 GLU HA 1 24 GLU HB3 . . 2.800 2.684 2.564 2.778 . 0 0 "[ . 1 . 2]" 1
153 1 24 GLU HA 1 26 ALA H . . 5.260 4.950 4.798 5.048 . 0 0 "[ . 1 . 2]" 1
154 1 24 GLU HA 1 27 ASP H . . 3.920 3.863 3.672 3.933 0.013 18 0 "[ . 1 . 2]" 1
155 1 24 GLU HA 1 27 ASP HB2 . . 5.500 3.984 3.671 4.085 . 0 0 "[ . 1 . 2]" 1
156 1 24 GLU HA 1 27 ASP HB3 . . 4.720 2.814 2.678 2.925 . 0 0 "[ . 1 . 2]" 1
157 1 24 GLU HA 1 28 ASP H . . 4.400 3.896 3.652 4.144 . 0 0 "[ . 1 . 2]" 1
158 1 24 GLU HA 1 28 ASP QB . . 6.380 4.473 3.806 5.258 . 0 0 "[ . 1 . 2]" 1
159 1 24 GLU HB2 1 25 GLU H . . 3.220 2.793 2.497 3.036 . 0 0 "[ . 1 . 2]" 1
160 1 24 GLU HB3 1 25 GLU H . . 4.010 3.200 2.989 3.468 . 0 0 "[ . 1 . 2]" 1
161 1 24 GLU QG 1 25 GLU H . . 6.380 4.341 4.116 4.576 . 0 0 "[ . 1 . 2]" 1
162 1 24 GLU QG 1 27 ASP HB2 . . 6.380 5.599 5.185 6.052 . 0 0 "[ . 1 . 2]" 1
163 1 24 GLU QG 1 27 ASP HB3 . . 5.880 4.680 4.189 5.030 . 0 0 "[ . 1 . 2]" 1
164 1 25 GLU H 1 25 GLU HG2 . . 4.040 3.000 2.222 3.915 . 0 0 "[ . 1 . 2]" 1
165 1 25 GLU H 1 25 GLU HG3 . . 4.040 3.572 2.644 4.059 0.019 8 0 "[ . 1 . 2]" 1
166 1 25 GLU H 1 25 GLU QG . . 3.790 2.703 2.202 3.051 . 0 0 "[ . 1 . 2]" 1
167 1 25 GLU H 1 26 ALA H . . 3.170 2.684 2.619 2.752 . 0 0 "[ . 1 . 2]" 1
168 1 25 GLU H 1 27 ASP H . . 3.950 3.955 3.904 3.979 0.029 8 0 "[ . 1 . 2]" 1
169 1 25 GLU HA 1 25 GLU QG . . 3.630 2.703 2.173 3.254 . 0 0 "[ . 1 . 2]" 1
170 1 25 GLU HA 1 27 ASP H . . 4.720 4.462 4.263 4.652 . 0 0 "[ . 1 . 2]" 1
171 1 25 GLU HA 1 28 ASP H . . 3.950 3.625 3.510 3.824 . 0 0 "[ . 1 . 2]" 1
172 1 25 GLU HA 1 28 ASP QB . . 4.180 2.917 2.764 3.239 . 0 0 "[ . 1 . 2]" 1
173 1 25 GLU HA 1 29 TYR H . . 4.320 3.998 3.879 4.154 . 0 0 "[ . 1 . 2]" 1
174 1 25 GLU QG 1 26 ALA H . . 5.420 3.661 1.822 4.242 . 0 0 "[ . 1 . 2]" 1
175 1 26 ALA H 1 26 ALA HA . . 3.120 2.799 2.774 2.821 . 0 0 "[ . 1 . 2]" 1
176 1 26 ALA H 1 26 ALA MB . . 3.640 2.126 2.025 2.233 . 0 0 "[ . 1 . 2]" 1
177 1 26 ALA H 1 27 ASP H . . 3.080 2.711 2.643 2.763 . 0 0 "[ . 1 . 2]" 1
178 1 26 ALA H 1 27 ASP HB2 . . 5.500 5.166 5.070 5.285 . 0 0 "[ . 1 . 2]" 1
179 1 26 ALA H 1 27 ASP HB3 . . 5.500 4.894 4.820 4.997 . 0 0 "[ . 1 . 2]" 1
180 1 26 ALA H 1 28 ASP H . . 5.470 4.284 4.185 4.385 . 0 0 "[ . 1 . 2]" 1
181 1 26 ALA H 1 29 TYR HB2 . . 5.500 4.464 4.414 4.569 . 0 0 "[ . 1 . 2]" 1
182 1 26 ALA HA 1 27 ASP H . . 3.620 3.533 3.514 3.547 . 0 0 "[ . 1 . 2]" 1
183 1 26 ALA HA 1 28 ASP H . . 5.500 4.592 4.509 4.701 . 0 0 "[ . 1 . 2]" 1
184 1 26 ALA HA 1 29 TYR H . . 3.980 3.463 3.401 3.507 . 0 0 "[ . 1 . 2]" 1
185 1 26 ALA HA 1 29 TYR HB2 . . 4.260 2.390 2.217 2.699 . 0 0 "[ . 1 . 2]" 1
186 1 26 ALA HA 1 29 TYR HB3 . . 5.500 3.523 3.040 3.679 . 0 0 "[ . 1 . 2]" 1
187 1 26 ALA HA 1 29 TYR HD2 . . 3.550 3.423 2.920 3.564 0.014 19 0 "[ . 1 . 2]" 1
188 1 26 ALA HA 1 30 LEU H . . 3.980 3.887 3.668 4.001 0.021 8 0 "[ . 1 . 2]" 1
189 1 26 ALA HA 1 30 LEU HG . . 4.220 4.016 3.695 4.238 0.018 18 0 "[ . 1 . 2]" 1
190 1 26 ALA HA 1 79 ILE QG . . 5.980 4.302 3.754 5.168 . 0 0 "[ . 1 . 2]" 1
191 1 26 ALA HA 1 98 TRP HZ2 . . 3.720 2.958 2.540 3.543 . 0 0 "[ . 1 . 2]" 1
192 1 26 ALA HA 1 98 TRP HH2 . . 5.220 4.939 4.385 5.229 0.009 4 0 "[ . 1 . 2]" 1
193 1 26 ALA MB 1 27 ASP HA . . 6.030 3.768 3.683 3.858 . 0 0 "[ . 1 . 2]" 1
194 1 26 ALA MB 1 29 TYR H . . 6.530 4.538 4.475 4.580 . 0 0 "[ . 1 . 2]" 1
195 1 26 ALA MB 1 29 TYR HD2 . . 5.500 4.710 4.290 4.868 . 0 0 "[ . 1 . 2]" 1
196 1 26 ALA MB 1 72 LYS HA . . 6.560 4.720 3.816 5.902 . 0 0 "[ . 1 . 2]" 1
197 1 26 ALA MB 1 98 TRP HZ2 . . 6.500 2.310 1.814 3.466 . 0 0 "[ . 1 . 2]" 1
198 1 26 ALA MB 1 98 TRP HH2 . . 6.200 3.148 2.285 3.896 . 0 0 "[ . 1 . 2]" 1
199 1 27 ASP H 1 27 ASP HB2 . . 2.930 2.604 2.511 2.686 . 0 0 "[ . 1 . 2]" 1
200 1 27 ASP H 1 27 ASP HB3 . . 2.900 2.470 2.399 2.560 . 0 0 "[ . 1 . 2]" 1
201 1 27 ASP H 1 28 ASP H . . 3.240 2.666 2.619 2.752 . 0 0 "[ . 1 . 2]" 1
202 1 27 ASP H 1 28 ASP HA . . 5.500 5.281 5.246 5.342 . 0 0 "[ . 1 . 2]" 1
203 1 27 ASP H 1 29 TYR H . . 3.830 3.854 3.836 3.870 0.040 18 0 "[ . 1 . 2]" 1
204 1 27 ASP HA 1 28 ASP H . . 3.600 3.548 3.541 3.559 . 0 0 "[ . 1 . 2]" 1
205 1 27 ASP HA 1 29 TYR H . . 4.400 4.252 4.183 4.334 . 0 0 "[ . 1 . 2]" 1
206 1 27 ASP HA 1 30 LEU H . . 4.480 3.808 3.739 3.890 . 0 0 "[ . 1 . 2]" 1
207 1 27 ASP HA 1 30 LEU HB2 . . 5.500 3.427 3.345 3.503 . 0 0 "[ . 1 . 2]" 1
208 1 27 ASP HA 1 30 LEU HB3 . . 5.140 5.120 4.993 5.161 0.021 1 0 "[ . 1 . 2]" 1
209 1 27 ASP HA 1 30 LEU HG . . 4.790 4.401 3.820 4.799 0.009 18 0 "[ . 1 . 2]" 1
210 1 27 ASP HA 1 30 LEU QD . . 7.030 3.180 2.133 4.573 . 0 0 "[ . 1 . 2]" 1
211 1 27 ASP HA 1 31 ASP H . . 4.110 3.973 3.902 4.090 . 0 0 "[ . 1 . 2]" 1
212 1 27 ASP HB2 1 28 ASP H . . 3.900 3.867 3.806 3.909 0.009 1 0 "[ . 1 . 2]" 1
213 1 27 ASP HB3 1 28 ASP H . . 2.900 2.528 2.420 2.578 . 0 0 "[ . 1 . 2]" 1
214 1 27 ASP HB3 1 28 ASP QB . . 4.640 4.138 3.784 4.567 . 0 0 "[ . 1 . 2]" 1
215 1 27 ASP HB3 1 29 TYR H . . 5.500 4.778 4.691 4.829 . 0 0 "[ . 1 . 2]" 1
216 1 28 ASP H 1 28 ASP QB . . 3.800 2.275 2.193 2.438 . 0 0 "[ . 1 . 2]" 1
217 1 28 ASP H 1 29 TYR H . . 3.110 2.507 2.474 2.559 . 0 0 "[ . 1 . 2]" 1
218 1 28 ASP H 1 30 LEU H . . 4.400 4.422 4.405 4.445 0.045 8 0 "[ . 1 . 2]" 1
219 1 28 ASP HA 1 30 LEU H . . 5.500 4.701 4.620 4.768 . 0 0 "[ . 1 . 2]" 1
220 1 28 ASP HA 1 31 ASP H . . 3.880 3.634 3.537 3.803 . 0 0 "[ . 1 . 2]" 1
221 1 28 ASP HA 1 31 ASP HB2 . . 2.870 2.487 2.296 2.804 . 0 0 "[ . 1 . 2]" 1
222 1 28 ASP HA 1 31 ASP HB3 . . 3.700 3.676 3.593 3.718 0.018 1 0 "[ . 1 . 2]" 1
223 1 28 ASP HA 1 32 HIS H . . 4.970 3.654 3.478 3.791 . 0 0 "[ . 1 . 2]" 1
224 1 28 ASP HA 1 32 HIS HD2 . . 5.500 4.378 2.948 5.511 0.011 16 0 "[ . 1 . 2]" 1
225 1 29 TYR H 1 29 TYR HB2 . . 3.110 2.102 2.078 2.254 . 0 0 "[ . 1 . 2]" 1
226 1 29 TYR H 1 29 TYR HB3 . . 3.920 3.339 2.975 3.536 . 0 0 "[ . 1 . 2]" 1
227 1 29 TYR H 1 30 LEU H . . 3.550 2.687 2.659 2.729 . 0 0 "[ . 1 . 2]" 1
228 1 29 TYR H 1 31 ASP H . . 4.170 3.984 3.836 4.183 0.013 14 0 "[ . 1 . 2]" 1
229 1 29 TYR HA 1 29 TYR HD2 . . 4.350 3.891 3.679 4.465 0.115 19 0 "[ . 1 . 2]" 1
230 1 29 TYR HA 1 31 ASP H . . 5.500 4.636 4.446 4.902 . 0 0 "[ . 1 . 2]" 1
231 1 29 TYR HA 1 32 HIS H . . 5.500 3.891 3.809 3.982 . 0 0 "[ . 1 . 2]" 1
232 1 29 TYR HA 1 32 HIS QB . . 6.380 3.248 2.976 3.700 . 0 0 "[ . 1 . 2]" 1
233 1 29 TYR HA 1 33 LEU H . . 5.500 4.317 4.258 4.431 . 0 0 "[ . 1 . 2]" 1
234 1 29 TYR HA 1 98 TRP HE1 . . 5.500 5.455 5.114 5.559 0.059 19 0 "[ . 1 . 2]" 1
235 1 29 TYR HB2 1 29 TYR HD2 . . 2.740 2.367 2.297 2.868 0.128 19 0 "[ . 1 . 2]" 1
236 1 29 TYR HB2 1 30 LEU H . . 4.350 2.884 2.537 3.363 . 0 0 "[ . 1 . 2]" 1
237 1 29 TYR HB3 1 30 LEU H . . 4.660 2.802 2.466 3.171 . 0 0 "[ . 1 . 2]" 1
238 1 29 TYR HB3 1 79 ILE MD . . 6.600 3.410 2.535 5.334 . 0 0 "[ . 1 . 2]" 1
239 1 29 TYR HB3 1 98 TRP HE1 . . 5.210 4.078 3.603 4.563 . 0 0 "[ . 1 . 2]" 1
240 1 29 TYR HB3 1 98 TRP HZ2 . . 5.960 5.744 5.238 5.967 0.007 10 0 "[ . 1 . 2]" 1
241 1 29 TYR HD1 1 33 LEU QD . . 8.100 2.933 1.868 5.249 . 0 0 "[ . 1 . 2]" 1
242 1 30 LEU H 1 30 LEU HG . . 5.500 2.431 2.002 3.147 . 0 0 "[ . 1 . 2]" 1
243 1 30 LEU H 1 31 ASP H . . 3.360 2.627 2.563 2.719 . 0 0 "[ . 1 . 2]" 1
244 1 30 LEU H 1 31 ASP HB2 . . 4.790 4.447 4.424 4.494 . 0 0 "[ . 1 . 2]" 1
245 1 30 LEU H 1 32 HIS H . . 5.280 4.319 4.181 4.498 . 0 0 "[ . 1 . 2]" 1
246 1 30 LEU HA 1 32 HIS H . . 5.500 4.634 4.443 4.838 . 0 0 "[ . 1 . 2]" 1
247 1 30 LEU HA 1 33 LEU H . . 5.500 3.385 3.311 3.463 . 0 0 "[ . 1 . 2]" 1
248 1 30 LEU HA 1 33 LEU QB . . 5.290 2.213 2.095 2.497 . 0 0 "[ . 1 . 2]" 1
249 1 30 LEU HA 1 33 LEU MD1 . . 6.530 3.824 2.018 4.823 . 0 0 "[ . 1 . 2]" 1
250 1 30 LEU HA 1 33 LEU MD2 . . 6.530 3.796 2.070 4.952 . 0 0 "[ . 1 . 2]" 1
251 1 30 LEU HA 1 34 LEU H . . 5.410 4.034 3.928 4.126 . 0 0 "[ . 1 . 2]" 1
252 1 30 LEU HA 1 53 LEU MD2 . . 5.500 5.248 4.841 5.515 0.015 18 0 "[ . 1 . 2]" 1
253 1 30 LEU HA 1 70 ILE MG . . 6.500 4.530 3.573 5.177 . 0 0 "[ . 1 . 2]" 1
254 1 30 LEU HB2 1 30 LEU HG . . 2.800 2.554 2.213 2.764 . 0 0 "[ . 1 . 2]" 1
255 1 30 LEU HB2 1 31 ASP H . . 4.400 2.562 2.313 2.771 . 0 0 "[ . 1 . 2]" 1
256 1 30 LEU HB2 1 33 LEU QB . . 5.680 4.794 4.673 5.004 . 0 0 "[ . 1 . 2]" 1
257 1 30 LEU HB2 1 53 LEU MD2 . . 5.380 4.426 3.942 4.774 . 0 0 "[ . 1 . 2]" 1
258 1 30 LEU HB2 1 56 GLY H . . 5.500 5.478 4.888 5.529 0.029 8 0 "[ . 1 . 2]" 1
259 1 30 LEU HB3 1 31 ASP H . . 3.720 3.645 3.468 3.741 0.021 15 0 "[ . 1 . 2]" 1
260 1 30 LEU HB3 1 33 LEU QB . . 4.800 4.099 3.989 4.284 . 0 0 "[ . 1 . 2]" 1
261 1 30 LEU HB3 1 53 LEU MD2 . . 4.680 3.564 3.174 3.841 . 0 0 "[ . 1 . 2]" 1
262 1 30 LEU HB3 1 58 MET HA . . 5.500 5.330 4.851 5.517 0.017 8 0 "[ . 1 . 2]" 1
263 1 30 LEU HB3 1 58 MET QG . . 6.500 3.697 3.164 4.283 . 0 0 "[ . 1 . 2]" 1
264 1 30 LEU HB3 1 71 ASN HA . . 5.500 5.485 5.133 5.539 0.039 1 0 "[ . 1 . 2]" 1
265 1 30 LEU HG 1 31 ASP H . . 5.500 4.382 4.135 4.758 . 0 0 "[ . 1 . 2]" 1
266 1 30 LEU HG 1 34 LEU QD . . 6.960 5.191 4.891 5.422 . 0 0 "[ . 1 . 2]" 1
267 1 30 LEU HG 1 70 ILE MG . . 6.500 4.983 3.825 6.047 . 0 0 "[ . 1 . 2]" 1
268 1 30 LEU HG 1 71 ASN HA . . 5.500 5.365 4.494 5.535 0.035 18 0 "[ . 1 . 2]" 1
269 1 30 LEU HG 1 79 ILE QG . . 6.500 4.691 4.159 5.146 . 0 0 "[ . 1 . 2]" 1
270 1 30 LEU HG 1 79 ILE MD . . 6.500 4.218 2.601 5.679 . 0 0 "[ . 1 . 2]" 1
271 1 30 LEU MD1 1 70 ILE HB . . 6.900 5.519 3.551 6.741 . 0 0 "[ . 1 . 2]" 1
272 1 30 LEU MD1 1 71 ASN HA . . 6.500 3.879 2.143 5.002 . 0 0 "[ . 1 . 2]" 1
273 1 30 LEU MD2 1 56 GLY H . . 6.900 4.817 3.619 6.176 . 0 0 "[ . 1 . 2]" 1
274 1 30 LEU MD2 1 57 VAL HA . . 4.900 3.873 3.163 4.917 0.017 19 0 "[ . 1 . 2]" 1
275 1 30 LEU MD2 1 71 ASN HA . . 5.300 3.100 2.552 3.977 . 0 0 "[ . 1 . 2]" 1
276 1 30 LEU MD2 1 72 LYS H . . 4.900 3.169 2.124 4.503 . 0 0 "[ . 1 . 2]" 1
277 1 30 LEU MD2 1 73 GLN H . . 6.900 5.246 4.275 6.601 . 0 0 "[ . 1 . 2]" 1
278 1 31 ASP H 1 31 ASP HB2 . . 2.560 2.138 2.098 2.172 . 0 0 "[ . 1 . 2]" 1
279 1 31 ASP H 1 31 ASP HB3 . . 3.450 3.452 3.397 3.485 0.035 1 0 "[ . 1 . 2]" 1
280 1 31 ASP H 1 32 HIS H . . 3.390 2.800 2.739 2.867 . 0 0 "[ . 1 . 2]" 1
281 1 31 ASP H 1 33 LEU H . . 4.760 3.860 3.762 3.962 . 0 0 "[ . 1 . 2]" 1
282 1 31 ASP H 1 34 LEU QD . . 8.100 3.668 3.465 3.836 . 0 0 "[ . 1 . 2]" 1
283 1 31 ASP H 1 53 LEU MD2 . . 6.500 5.499 5.019 6.032 . 0 0 "[ . 1 . 2]" 1
284 1 31 ASP HA 1 31 ASP HB2 . . 2.960 2.945 2.904 2.966 0.006 1 0 "[ . 1 . 2]" 1
285 1 31 ASP HA 1 33 LEU H . . 4.660 4.134 4.058 4.188 . 0 0 "[ . 1 . 2]" 1
286 1 31 ASP HA 1 34 LEU H . . 5.500 3.815 3.707 3.862 . 0 0 "[ . 1 . 2]" 1
287 1 31 ASP HA 1 34 LEU HG . . 5.000 2.558 2.394 2.668 . 0 0 "[ . 1 . 2]" 1
288 1 31 ASP HA 1 35 ASP H . . 4.400 4.257 4.100 4.346 . 0 0 "[ . 1 . 2]" 1
289 1 31 ASP HA 1 53 LEU HG . . 6.500 4.677 4.047 5.262 . 0 0 "[ . 1 . 2]" 1
290 1 31 ASP HA 1 53 LEU MD1 . . 6.370 5.608 5.114 5.982 . 0 0 "[ . 1 . 2]" 1
291 1 31 ASP HA 1 53 LEU MD2 . . 6.270 4.525 4.022 5.078 . 0 0 "[ . 1 . 2]" 1
292 1 31 ASP HB2 1 32 HIS H . . 3.480 2.767 2.635 2.928 . 0 0 "[ . 1 . 2]" 1
293 1 31 ASP HB2 1 32 HIS QB . . 6.380 4.538 4.170 4.941 . 0 0 "[ . 1 . 2]" 1
294 1 31 ASP HB2 1 33 LEU H . . 5.040 4.858 4.714 4.978 . 0 0 "[ . 1 . 2]" 1
295 1 31 ASP HB3 1 32 HIS H . . 4.110 2.971 2.796 3.088 . 0 0 "[ . 1 . 2]" 1
296 1 32 HIS H 1 33 LEU H . . 3.330 2.557 2.517 2.618 . 0 0 "[ . 1 . 2]" 1
297 1 32 HIS H 1 34 LEU H . . 5.220 4.582 4.531 4.650 . 0 0 "[ . 1 . 2]" 1
298 1 32 HIS H 1 34 LEU HG . . 5.500 4.630 4.546 4.725 . 0 0 "[ . 1 . 2]" 1
299 1 32 HIS HA 1 34 LEU H . . 4.790 4.740 4.714 4.775 . 0 0 "[ . 1 . 2]" 1
300 1 32 HIS HA 1 34 LEU HG . . 5.500 4.749 4.691 4.799 . 0 0 "[ . 1 . 2]" 1
301 1 32 HIS HA 1 35 ASP H . . 3.340 3.429 3.407 3.462 0.122 1 0 "[ . 1 . 2]" 1
302 1 32 HIS HA 1 35 ASP HB2 . . 3.360 2.946 2.862 3.005 . 0 0 "[ . 1 . 2]" 1
303 1 32 HIS HA 1 35 ASP HB3 . . 2.620 2.446 2.426 2.459 . 0 0 "[ . 1 . 2]" 1
304 1 32 HIS HA 1 36 SER H . . 4.850 3.866 3.790 3.959 . 0 0 "[ . 1 . 2]" 1
305 1 32 HIS QB 1 33 LEU H . . 4.550 3.041 2.816 3.461 . 0 0 "[ . 1 . 2]" 1
306 1 32 HIS QB 1 35 ASP HB2 . . 6.380 4.957 4.658 5.064 . 0 0 "[ . 1 . 2]" 1
307 1 32 HIS QB 1 35 ASP HB3 . . 4.520 4.217 3.991 4.433 . 0 0 "[ . 1 . 2]" 1
308 1 33 LEU H 1 33 LEU HG . . 5.070 4.083 3.589 4.400 . 0 0 "[ . 1 . 2]" 1
309 1 33 LEU H 1 34 LEU HG . . 3.730 3.774 3.764 3.796 0.066 16 0 "[ . 1 . 2]" 1
310 1 33 LEU H 1 34 LEU H . . 3.600 2.730 2.714 2.757 . 0 0 "[ . 1 . 2]" 1
311 1 33 LEU H 1 35 ASP H . . 3.640 3.701 3.680 3.724 0.084 16 0 "[ . 1 . 2]" 1
312 1 33 LEU H 1 35 ASP HB3 . . 4.910 4.957 4.949 4.962 0.052 8 0 "[ . 1 . 2]" 1
313 1 33 LEU HA 1 33 LEU HG . . 3.700 3.073 2.192 3.639 . 0 0 "[ . 1 . 2]" 1
314 1 33 LEU HA 1 33 LEU MD2 . . 4.400 2.516 1.917 3.791 . 0 0 "[ . 1 . 2]" 1
315 1 33 LEU HA 1 34 LEU H . . 3.720 3.566 3.566 3.567 . 0 0 "[ . 1 . 2]" 1
316 1 33 LEU HA 1 35 ASP H . . 4.380 4.228 4.215 4.247 . 0 0 "[ . 1 . 2]" 1
317 1 33 LEU HA 1 36 SER H . . 3.730 3.749 3.736 3.762 0.032 16 0 "[ . 1 . 2]" 1
318 1 33 LEU HA 1 36 SER HB2 . . 3.860 3.831 3.770 3.862 0.002 16 0 "[ . 1 . 2]" 1
319 1 33 LEU HA 1 36 SER HB3 . . 5.500 3.875 3.790 3.984 . 0 0 "[ . 1 . 2]" 1
320 1 33 LEU HA 1 37 LEU H . . 4.400 4.149 4.058 4.216 . 0 0 "[ . 1 . 2]" 1
321 1 33 LEU HA 1 37 LEU QD . . 7.140 3.228 2.959 3.921 . 0 0 "[ . 1 . 2]" 1
322 1 33 LEU QB 1 34 LEU H . . 5.070 2.425 2.323 2.457 . 0 0 "[ . 1 . 2]" 1
323 1 33 LEU QB 1 34 LEU HA . . 6.380 3.721 3.709 3.758 . 0 0 "[ . 1 . 2]" 1
324 1 33 LEU QB 1 34 LEU HG . . 5.500 3.942 3.917 3.966 . 0 0 "[ . 1 . 2]" 1
325 1 33 LEU QB 1 70 ILE HB . . 6.500 4.004 3.628 4.455 . 0 0 "[ . 1 . 2]" 1
326 1 33 LEU HG 1 34 LEU H . . 5.090 4.884 4.837 4.955 . 0 0 "[ . 1 . 2]" 1
327 1 33 LEU HG 1 107 LEU HG . . 6.200 5.497 4.490 6.209 0.009 6 0 "[ . 1 . 2]" 1
328 1 33 LEU HG 1 108 THR HA . . 5.900 5.892 5.804 5.907 0.007 20 0 "[ . 1 . 2]" 1
329 1 33 LEU HG 1 111 LEU HG . . 6.200 5.380 4.949 5.989 . 0 0 "[ . 1 . 2]" 1
330 1 33 LEU MD1 1 107 LEU HG . . 6.500 4.649 3.475 5.998 . 0 0 "[ . 1 . 2]" 1
331 1 33 LEU MD1 1 108 THR HA . . 6.210 4.779 3.770 5.662 . 0 0 "[ . 1 . 2]" 1
332 1 33 LEU MD2 1 70 ILE HB . . 6.900 4.003 2.006 5.304 . 0 0 "[ . 1 . 2]" 1
333 1 33 LEU MD2 1 107 LEU HG . . 6.500 4.823 3.563 5.999 . 0 0 "[ . 1 . 2]" 1
334 1 33 LEU MD2 1 108 THR HA . . 6.100 4.711 3.769 5.949 . 0 0 "[ . 1 . 2]" 1
335 1 33 LEU MD2 1 111 LEU HG . . 6.430 4.553 3.098 5.758 . 0 0 "[ . 1 . 2]" 1
336 1 34 LEU H 1 34 LEU HG . . 3.170 1.880 1.873 1.886 . 0 0 "[ . 1 . 2]" 1
337 1 34 LEU H 1 34 LEU MD1 . . 5.850 3.532 3.455 3.580 . 0 0 "[ . 1 . 2]" 1
338 1 34 LEU H 1 34 LEU MD2 . . 5.850 2.672 2.154 3.007 . 0 0 "[ . 1 . 2]" 1
339 1 34 LEU H 1 34 LEU QD . . 4.990 2.584 2.137 2.832 . 0 0 "[ . 1 . 2]" 1
340 1 34 LEU H 1 35 ASP H . . 3.360 2.526 2.517 2.538 . 0 0 "[ . 1 . 2]" 1
341 1 34 LEU H 1 36 SER H . . 5.130 4.329 4.304 4.367 . 0 0 "[ . 1 . 2]" 1
342 1 34 LEU H 1 37 LEU QD . . 7.380 4.440 3.916 5.179 . 0 0 "[ . 1 . 2]" 1
343 1 34 LEU HA 1 36 SER H . . 4.400 4.440 4.426 4.455 0.055 1 0 "[ . 1 . 2]" 1
344 1 34 LEU HA 1 37 LEU H . . 5.500 3.537 3.451 3.660 . 0 0 "[ . 1 . 2]" 1
345 1 34 LEU HA 1 37 LEU HB2 . . 4.170 2.604 2.457 2.795 . 0 0 "[ . 1 . 2]" 1
346 1 34 LEU HA 1 37 LEU HB3 . . 3.950 3.914 3.527 3.960 0.010 7 0 "[ . 1 . 2]" 1
347 1 34 LEU HA 1 37 LEU HG . . 5.500 4.760 4.377 5.495 . 0 0 "[ . 1 . 2]" 1
348 1 34 LEU HA 1 37 LEU MD1 . . 5.720 4.977 3.998 5.339 . 0 0 "[ . 1 . 2]" 1
349 1 34 LEU HA 1 37 LEU MD2 . . 5.720 3.503 2.814 4.174 . 0 0 "[ . 1 . 2]" 1
350 1 34 LEU HA 1 37 LEU QD . . 5.340 3.432 2.766 4.030 . 0 0 "[ . 1 . 2]" 1
351 1 34 LEU HA 1 38 GLU H . . 4.200 3.503 3.051 3.713 . 0 0 "[ . 1 . 2]" 1
352 1 34 LEU HA 1 53 LEU QB . . 5.900 4.534 4.303 4.993 . 0 0 "[ . 1 . 2]" 1
353 1 34 LEU HA 1 53 LEU HG . . 6.500 6.051 5.683 6.510 0.010 12 0 "[ . 1 . 2]" 1
354 1 34 LEU QB 1 35 ASP H . . 4.300 3.522 3.459 3.549 . 0 0 "[ . 1 . 2]" 1
355 1 34 LEU QB 1 37 LEU QD . . 8.970 4.593 3.892 5.093 . 0 0 "[ . 1 . 2]" 1
356 1 34 LEU QB 1 38 GLU QG . . 6.070 3.026 2.540 4.113 . 0 0 "[ . 1 . 2]" 1
357 1 34 LEU QB 1 53 LEU MD1 . . 7.280 4.461 4.239 4.829 . 0 0 "[ . 1 . 2]" 1
358 1 34 LEU QB 1 53 LEU MD2 . . 7.760 3.506 3.144 3.993 . 0 0 "[ . 1 . 2]" 1
359 1 34 LEU QB 1 58 MET QG . . 7.500 2.118 1.820 2.627 . 0 0 "[ . 1 . 2]" 1
360 1 34 LEU HG 1 35 ASP H . . 4.950 2.455 2.403 2.533 . 0 0 "[ . 1 . 2]" 1
361 1 34 LEU HG 1 38 GLU QG . . 6.380 5.219 4.776 6.412 0.032 16 0 "[ . 1 . 2]" 1
362 1 34 LEU HG 1 53 LEU QB . . 5.900 4.321 3.822 4.725 . 0 0 "[ . 1 . 2]" 1
363 1 34 LEU HG 1 53 LEU HG . . 5.250 4.260 3.914 4.669 . 0 0 "[ . 1 . 2]" 1
364 1 34 LEU MD1 1 35 ASP H . . 6.530 2.979 2.604 3.442 . 0 0 "[ . 1 . 2]" 1
365 1 34 LEU MD2 1 35 ASP H . . 6.530 4.074 3.946 4.155 . 0 0 "[ . 1 . 2]" 1
366 1 34 LEU MD2 1 53 LEU QB . . 6.820 2.120 1.957 2.633 . 0 0 "[ . 1 . 2]" 1
367 1 34 LEU MD2 1 53 LEU HG . . 5.430 1.894 1.772 2.320 . 0 0 "[ . 1 . 2]" 1
368 1 35 ASP H 1 35 ASP HA . . 2.800 2.843 2.834 2.847 0.047 2 0 "[ . 1 . 2]" 1
369 1 35 ASP H 1 35 ASP HB2 . . 2.710 2.407 2.402 2.413 . 0 0 "[ . 1 . 2]" 1
370 1 35 ASP H 1 35 ASP HB3 . . 2.680 2.686 2.682 2.695 0.015 14 0 "[ . 1 . 2]" 1
371 1 35 ASP H 1 36 SER H . . 3.050 2.600 2.583 2.631 . 0 0 "[ . 1 . 2]" 1
372 1 35 ASP H 1 37 LEU H . . 4.690 4.068 3.954 4.201 . 0 0 "[ . 1 . 2]" 1
373 1 35 ASP H 1 38 GLU QG . . 6.380 4.810 4.013 6.163 . 0 0 "[ . 1 . 2]" 1
374 1 35 ASP HA 1 35 ASP HB2 . . 2.800 2.553 2.547 2.559 . 0 0 "[ . 1 . 2]" 1
375 1 35 ASP HA 1 37 LEU H . . 5.500 4.706 4.537 4.869 . 0 0 "[ . 1 . 2]" 1
376 1 35 ASP HA 1 38 GLU H . . 4.570 3.838 3.683 4.122 . 0 0 "[ . 1 . 2]" 1
377 1 35 ASP HA 1 38 GLU QB . . 4.520 2.925 2.678 4.039 . 0 0 "[ . 1 . 2]" 1
378 1 35 ASP HA 1 38 GLU QG . . 6.380 3.731 2.163 4.513 . 0 0 "[ . 1 . 2]" 1
379 1 35 ASP HA 1 39 GLU H . . 4.660 4.051 3.709 4.186 . 0 0 "[ . 1 . 2]" 1
380 1 35 ASP HA 1 39 GLU QG . . 6.380 5.198 3.124 6.356 . 0 0 "[ . 1 . 2]" 1
381 1 35 ASP HB2 1 36 SER H . . 3.640 3.718 3.713 3.721 0.081 20 0 "[ . 1 . 2]" 1
382 1 35 ASP HB3 1 36 SER H . . 3.830 2.537 2.520 2.552 . 0 0 "[ . 1 . 2]" 1
383 1 35 ASP HB3 1 36 SER HA . . 4.710 4.115 4.104 4.128 . 0 0 "[ . 1 . 2]" 1
384 1 35 ASP HB3 1 36 SER HB3 . . 5.500 5.200 5.176 5.216 . 0 0 "[ . 1 . 2]" 1
385 1 36 SER H 1 36 SER HA . . 2.970 2.852 2.844 2.856 . 0 0 "[ . 1 . 2]" 1
386 1 36 SER H 1 36 SER HB2 . . 3.110 2.248 2.236 2.269 . 0 0 "[ . 1 . 2]" 1
387 1 36 SER H 1 36 SER HB3 . . 2.930 2.911 2.870 2.933 0.003 16 0 "[ . 1 . 2]" 1
388 1 36 SER H 1 37 LEU H . . 3.450 2.576 2.519 2.650 . 0 0 "[ . 1 . 2]" 1
389 1 36 SER H 1 38 GLU H . . 4.760 4.073 3.902 4.419 . 0 0 "[ . 1 . 2]" 1
390 1 36 SER HA 1 36 SER HB2 . . 2.900 2.672 2.647 2.685 . 0 0 "[ . 1 . 2]" 1
391 1 36 SER HA 1 37 LEU H . . 3.640 3.544 3.525 3.560 . 0 0 "[ . 1 . 2]" 1
392 1 36 SER HA 1 37 LEU HA . . 4.870 4.770 4.734 4.805 . 0 0 "[ . 1 . 2]" 1
393 1 36 SER HA 1 39 GLU H . . 3.900 3.620 3.509 3.885 . 0 0 "[ . 1 . 2]" 1
394 1 36 SER HA 1 39 GLU QB . . 5.040 2.838 2.671 2.943 . 0 0 "[ . 1 . 2]" 1
395 1 36 SER HA 1 39 GLU QG . . 6.040 4.476 3.307 4.915 . 0 0 "[ . 1 . 2]" 1
396 1 36 SER HA 1 40 LEU H . . 4.500 4.241 4.005 4.363 . 0 0 "[ . 1 . 2]" 1
397 1 36 SER HA 1 40 LEU HG . . 4.240 3.971 3.633 4.243 0.003 4 0 "[ . 1 . 2]" 1
398 1 36 SER HB2 1 37 LEU H . . 4.260 3.508 3.435 3.586 . 0 0 "[ . 1 . 2]" 1
399 1 36 SER HB3 1 37 LEU H . . 3.330 2.586 2.419 2.736 . 0 0 "[ . 1 . 2]" 1
400 1 37 LEU H 1 37 LEU HA . . 2.880 2.823 2.789 2.851 . 0 0 "[ . 1 . 2]" 1
401 1 37 LEU H 1 37 LEU HB2 . . 3.390 2.164 2.043 2.230 . 0 0 "[ . 1 . 2]" 1
402 1 37 LEU H 1 37 LEU HB3 . . 4.070 3.473 3.272 3.522 . 0 0 "[ . 1 . 2]" 1
403 1 37 LEU H 1 37 LEU HG . . 4.660 4.179 4.111 4.439 . 0 0 "[ . 1 . 2]" 1
404 1 37 LEU H 1 38 GLU H . . 3.140 2.667 2.556 2.897 . 0 0 "[ . 1 . 2]" 1
405 1 37 LEU H 1 39 GLU H . . 5.500 4.107 3.959 4.211 . 0 0 "[ . 1 . 2]" 1
406 1 37 LEU HA 1 37 LEU HB3 . . 2.830 2.671 2.613 2.835 0.005 6 0 "[ . 1 . 2]" 1
407 1 37 LEU HA 1 37 LEU HG . . 3.640 3.370 2.632 3.641 0.001 12 0 "[ . 1 . 2]" 1
408 1 37 LEU HA 1 37 LEU MD1 . . 4.760 1.990 1.888 2.405 . 0 0 "[ . 1 . 2]" 1
409 1 37 LEU HA 1 37 LEU MD2 . . 4.760 3.076 2.567 3.825 . 0 0 "[ . 1 . 2]" 1
410 1 37 LEU HA 1 37 LEU QD . . 3.840 1.961 1.863 2.381 . 0 0 "[ . 1 . 2]" 1
411 1 37 LEU HA 1 39 GLU H . . 4.400 4.416 4.405 4.430 0.030 19 0 "[ . 1 . 2]" 1
412 1 37 LEU HA 1 40 LEU H . . 3.760 3.414 3.378 3.456 . 0 0 "[ . 1 . 2]" 1
413 1 37 LEU HA 1 40 LEU HB2 . . 2.620 2.573 2.522 2.626 0.006 9 0 "[ . 1 . 2]" 1
414 1 37 LEU HA 1 40 LEU HB3 . . 4.140 4.163 4.149 4.202 0.062 3 0 "[ . 1 . 2]" 1
415 1 37 LEU HA 1 40 LEU QD . . 5.000 2.466 1.903 3.397 . 0 0 "[ . 1 . 2]" 1
416 1 37 LEU HA 1 41 SER H . . 4.400 4.093 3.748 4.369 . 0 0 "[ . 1 . 2]" 1
417 1 37 LEU HB2 1 38 GLU H . . 3.050 2.769 2.505 3.050 0.000 6 0 "[ . 1 . 2]" 1
418 1 37 LEU HB2 1 51 VAL HB . . 4.970 4.847 4.473 4.980 0.010 19 0 "[ . 1 . 2]" 1
419 1 37 LEU HB2 1 58 MET QG . . 6.500 4.934 4.548 5.475 . 0 0 "[ . 1 . 2]" 1
420 1 37 LEU HB3 1 37 LEU HG . . 2.930 2.333 2.275 2.378 . 0 0 "[ . 1 . 2]" 1
421 1 37 LEU HB3 1 38 GLU H . . 3.610 3.194 2.796 3.410 . 0 0 "[ . 1 . 2]" 1
422 1 37 LEU HB3 1 38 GLU QB . . 6.380 4.919 4.335 5.115 . 0 0 "[ . 1 . 2]" 1
423 1 37 LEU HB3 1 51 VAL HA . . 4.590 4.568 4.253 4.606 0.016 18 0 "[ . 1 . 2]" 1
424 1 37 LEU HB3 1 51 VAL HB . . 4.570 4.161 3.700 4.571 0.001 19 0 "[ . 1 . 2]" 1
425 1 37 LEU HB3 1 60 LEU HA . . 5.500 5.172 4.821 5.501 0.001 6 0 "[ . 1 . 2]" 1
426 1 37 LEU HB3 1 60 LEU QB . . 6.500 3.605 3.138 3.986 . 0 0 "[ . 1 . 2]" 1
427 1 37 LEU MD1 1 60 LEU HA . . 6.970 5.784 4.949 6.715 . 0 0 "[ . 1 . 2]" 1
428 1 37 LEU MD1 1 60 LEU QB . . 7.320 3.938 3.361 4.616 . 0 0 "[ . 1 . 2]" 1
429 1 37 LEU MD2 1 38 GLU H . . 6.100 4.304 4.057 4.637 . 0 0 "[ . 1 . 2]" 1
430 1 37 LEU MD2 1 58 MET QG . . 7.230 4.275 3.369 5.018 . 0 0 "[ . 1 . 2]" 1
431 1 37 LEU MD2 1 70 ILE MD . . 7.500 3.288 2.582 3.856 . 0 0 "[ . 1 . 2]" 1
432 1 38 GLU H 1 38 GLU QB . . 3.870 2.309 2.225 2.418 . 0 0 "[ . 1 . 2]" 1
433 1 38 GLU H 1 39 GLU H . . 2.990 2.667 2.587 2.821 . 0 0 "[ . 1 . 2]" 1
434 1 38 GLU H 1 40 LEU H . . 4.260 3.974 3.904 4.105 . 0 0 "[ . 1 . 2]" 1
435 1 38 GLU H 1 51 VAL HB . . 4.920 4.399 3.289 4.914 . 0 0 "[ . 1 . 2]" 1
436 1 38 GLU HA 1 39 GLU H . . 3.600 3.533 3.528 3.540 . 0 0 "[ . 1 . 2]" 1
437 1 38 GLU HA 1 40 LEU H . . 4.400 4.208 4.052 4.401 0.001 18 0 "[ . 1 . 2]" 1
438 1 38 GLU HA 1 41 SER H . . 4.760 3.500 3.418 3.657 . 0 0 "[ . 1 . 2]" 1
439 1 38 GLU HA 1 41 SER QB . . 3.960 3.152 2.662 3.980 0.020 20 0 "[ . 1 . 2]" 1
440 1 38 GLU HA 1 42 GLU H . . 4.400 4.184 4.046 4.327 . 0 0 "[ . 1 . 2]" 1
441 1 38 GLU HA 1 51 VAL HB . . 4.260 3.328 2.473 4.178 . 0 0 "[ . 1 . 2]" 1
442 1 38 GLU QB 1 39 GLU H . . 4.180 2.694 2.558 3.380 . 0 0 "[ . 1 . 2]" 1
443 1 38 GLU QB 1 51 VAL HB . . 6.200 3.984 2.063 4.897 . 0 0 "[ . 1 . 2]" 1
444 1 38 GLU QG 1 51 VAL H . . 6.050 5.193 3.934 6.086 0.036 3 0 "[ . 1 . 2]" 1
445 1 38 GLU QG 1 51 VAL HA . . 6.490 4.853 4.168 6.504 0.014 3 0 "[ . 1 . 2]" 1
446 1 38 GLU QG 1 51 VAL HB . . 4.000 2.555 1.802 4.017 0.017 9 0 "[ . 1 . 2]" 1
447 1 39 GLU H 1 39 GLU HA . . 2.880 2.844 2.829 2.867 . 0 0 "[ . 1 . 2]" 1
448 1 39 GLU H 1 39 GLU QB . . 3.560 2.142 2.064 2.318 . 0 0 "[ . 1 . 2]" 1
449 1 39 GLU H 1 40 LEU H . . 2.600 2.524 2.448 2.564 . 0 0 "[ . 1 . 2]" 1
450 1 39 GLU H 1 41 SER H . . 4.910 4.102 3.908 4.247 . 0 0 "[ . 1 . 2]" 1
451 1 39 GLU HA 1 40 LEU H . . 3.600 3.486 3.466 3.510 . 0 0 "[ . 1 . 2]" 1
452 1 39 GLU HA 1 41 SER H . . 4.720 4.395 4.010 4.727 0.007 19 0 "[ . 1 . 2]" 1
453 1 39 GLU HA 1 42 GLU H . . 3.920 3.455 3.296 3.701 . 0 0 "[ . 1 . 2]" 1
454 1 39 GLU HA 1 42 GLU QB . . 3.520 2.664 2.495 2.921 . 0 0 "[ . 1 . 2]" 1
455 1 39 GLU HA 1 43 ALA H . . 4.530 3.513 3.146 4.405 . 0 0 "[ . 1 . 2]" 1
456 1 39 GLU QB 1 40 LEU H . . 3.990 2.892 2.719 3.303 . 0 0 "[ . 1 . 2]" 1
457 1 39 GLU QB 1 40 LEU HA . . 4.950 4.000 3.837 4.722 . 0 0 "[ . 1 . 2]" 1
458 1 39 GLU QB 1 40 LEU HB3 . . 6.380 5.556 5.425 6.193 . 0 0 "[ . 1 . 2]" 1
459 1 39 GLU QG 1 42 GLU QB . . 5.140 4.065 3.836 4.634 . 0 0 "[ . 1 . 2]" 1
460 1 40 LEU H 1 40 LEU HB2 . . 2.870 2.317 2.206 2.466 . 0 0 "[ . 1 . 2]" 1
461 1 40 LEU H 1 40 LEU HB3 . . 3.550 3.557 3.508 3.598 0.048 1 0 "[ . 1 . 2]" 1
462 1 40 LEU H 1 40 LEU HG . . 5.220 2.717 2.418 3.034 . 0 0 "[ . 1 . 2]" 1
463 1 40 LEU H 1 41 SER H . . 3.240 2.474 2.423 2.511 . 0 0 "[ . 1 . 2]" 1
464 1 40 LEU H 1 42 GLU H . . 4.940 3.756 3.686 3.909 . 0 0 "[ . 1 . 2]" 1
465 1 40 LEU HA 1 40 LEU HB2 . . 3.120 3.001 2.981 3.015 . 0 0 "[ . 1 . 2]" 1
466 1 40 LEU HA 1 42 GLU H . . 5.500 4.119 3.993 4.212 . 0 0 "[ . 1 . 2]" 1
467 1 40 LEU HA 1 43 ALA H . . 3.980 3.636 3.505 3.878 . 0 0 "[ . 1 . 2]" 1
468 1 40 LEU HA 1 43 ALA MB . . 4.640 2.981 2.811 3.298 . 0 0 "[ . 1 . 2]" 1
469 1 40 LEU HA 1 44 HIS H . . 5.500 3.616 3.207 4.759 . 0 0 "[ . 1 . 2]" 1
470 1 40 LEU HB2 1 41 SER H . . 3.610 2.762 2.629 3.053 . 0 0 "[ . 1 . 2]" 1
471 1 40 LEU HB2 1 45 PRO QB . . 5.980 5.472 4.258 6.054 0.074 9 0 "[ . 1 . 2]" 1
472 1 40 LEU HB3 1 41 SER H . . 5.000 3.575 3.255 3.814 . 0 0 "[ . 1 . 2]" 1
473 1 40 LEU HB3 1 45 PRO HA . . 5.380 4.167 2.742 5.384 0.004 19 0 "[ . 1 . 2]" 1
474 1 40 LEU HB3 1 49 PRO QG . . 6.430 5.357 4.453 6.371 . 0 0 "[ . 1 . 2]" 1
475 1 40 LEU HG 1 41 SER H . . 4.690 4.600 4.417 4.701 0.011 16 0 "[ . 1 . 2]" 1
476 1 41 SER H 1 42 GLU H . . 3.240 2.403 2.249 2.568 . 0 0 "[ . 1 . 2]" 1
477 1 41 SER H 1 43 ALA H . . 5.500 4.073 3.842 4.418 . 0 0 "[ . 1 . 2]" 1
478 1 41 SER HA 1 43 ALA H . . 4.880 4.722 4.497 4.872 . 0 0 "[ . 1 . 2]" 1
479 1 41 SER HA 1 45 PRO QB . . 5.670 2.379 1.959 4.666 . 0 0 "[ . 1 . 2]" 1
480 1 41 SER HA 1 45 PRO HG2 . . 5.490 4.329 3.504 4.715 . 0 0 "[ . 1 . 2]" 1
481 1 41 SER HA 1 49 PRO HD2 . . 4.740 4.072 2.733 4.749 0.009 14 0 "[ . 1 . 2]" 1
482 1 41 SER QB 1 42 GLU H . . 4.180 3.208 2.945 3.617 . 0 0 "[ . 1 . 2]" 1
483 1 41 SER QB 1 50 ASP HA . . 5.530 4.451 3.596 5.019 . 0 0 "[ . 1 . 2]" 1
484 1 41 SER QB 1 51 VAL H . . 6.320 4.429 3.440 5.478 . 0 0 "[ . 1 . 2]" 1
485 1 41 SER QB 1 51 VAL HB . . 6.320 4.802 3.875 5.595 . 0 0 "[ . 1 . 2]" 1
486 1 42 GLU H 1 42 GLU QB . . 3.680 2.263 2.139 2.344 . 0 0 "[ . 1 . 2]" 1
487 1 42 GLU H 1 42 GLU HG2 . . 5.500 4.267 3.298 4.723 . 0 0 "[ . 1 . 2]" 1
488 1 42 GLU H 1 42 GLU HG3 . . 5.500 4.198 2.874 4.745 . 0 0 "[ . 1 . 2]" 1
489 1 42 GLU H 1 42 GLU QG . . 4.880 3.718 2.825 4.061 . 0 0 "[ . 1 . 2]" 1
490 1 42 GLU H 1 43 ALA H . . 2.960 2.319 2.202 2.573 . 0 0 "[ . 1 . 2]" 1
491 1 42 GLU H 1 44 HIS H . . 3.600 3.655 3.616 3.712 0.112 16 0 "[ . 1 . 2]" 1
492 1 42 GLU HA 1 42 GLU HG2 . . 3.730 2.884 2.103 3.589 . 0 0 "[ . 1 . 2]" 1
493 1 42 GLU HA 1 42 GLU HG3 . . 3.730 2.789 2.019 3.608 . 0 0 "[ . 1 . 2]" 1
494 1 42 GLU HA 1 42 GLU QG . . 3.010 2.374 2.000 2.563 . 0 0 "[ . 1 . 2]" 1
495 1 42 GLU HA 1 43 ALA HA . . 4.790 4.730 4.675 4.761 . 0 0 "[ . 1 . 2]" 1
496 1 42 GLU QB 1 44 HIS H . . 6.380 4.608 4.243 4.772 . 0 0 "[ . 1 . 2]" 1
497 1 42 GLU QG 1 43 ALA H . . 6.380 3.920 3.193 4.368 . 0 0 "[ . 1 . 2]" 1
498 1 43 ALA H 1 43 ALA HA . . 2.830 2.854 2.829 2.895 0.065 14 0 "[ . 1 . 2]" 1
499 1 43 ALA H 1 44 HIS H . . 3.730 2.523 2.347 2.628 . 0 0 "[ . 1 . 2]" 1
500 1 43 ALA H 1 44 HIS QB . . 6.100 4.938 4.852 5.068 . 0 0 "[ . 1 . 2]" 1
501 1 43 ALA HA 1 44 HIS H . . 6.100 3.494 3.342 3.539 . 0 0 "[ . 1 . 2]" 1
502 1 43 ALA HA 1 44 HIS HA . . 5.430 4.791 4.621 5.173 . 0 0 "[ . 1 . 2]" 1
503 1 44 HIS HA 1 45 PRO HA . . 4.800 4.588 4.528 4.639 . 0 0 "[ . 1 . 2]" 1
504 1 44 HIS QB 1 44 HIS HD2 . . 3.280 2.674 2.641 2.701 . 0 0 "[ . 1 . 2]" 1
505 1 44 HIS HE1 1 45 PRO HA . . 5.450 5.436 5.270 5.533 0.083 10 0 "[ . 1 . 2]" 1
506 1 45 PRO HA 1 46 ASP H . . 3.520 3.217 2.621 3.571 0.051 5 0 "[ . 1 . 2]" 1
507 1 45 PRO QB 1 46 ASP H . . 4.770 2.015 1.828 2.929 . 0 0 "[ . 1 . 2]" 1
508 1 45 PRO HG2 1 46 ASP H . . 5.160 2.535 1.819 3.991 . 0 0 "[ . 1 . 2]" 1
509 1 45 PRO HG3 1 46 ASP H . . 4.670 3.758 3.274 4.691 0.021 14 0 "[ . 1 . 2]" 1
510 1 46 ASP H 1 46 ASP HB2 . . 3.240 2.968 2.482 3.239 . 0 0 "[ . 1 . 2]" 1
511 1 46 ASP H 1 46 ASP HB3 . . 3.900 3.312 2.965 3.790 . 0 0 "[ . 1 . 2]" 1
512 1 46 ASP H 1 47 CYS H . . 2.650 2.020 1.796 2.521 . 0 0 "[ . 1 . 2]" 1
513 1 46 ASP H 1 48 ILE H . . 4.550 4.235 3.560 4.574 0.024 13 0 "[ . 1 . 2]" 1
514 1 46 ASP H 1 49 PRO HD3 . . 5.500 3.091 2.368 4.156 . 0 0 "[ . 1 . 2]" 1
515 1 46 ASP HA 1 46 ASP HB2 . . 2.790 2.731 2.556 2.853 0.063 1 0 "[ . 1 . 2]" 1
516 1 46 ASP HB2 1 47 CYS H . . 4.400 3.619 3.052 4.291 . 0 0 "[ . 1 . 2]" 1
517 1 46 ASP HB3 1 47 CYS H . . 3.950 3.042 2.291 3.911 . 0 0 "[ . 1 . 2]" 1
518 1 47 CYS H 1 47 CYS HB2 . . 3.480 3.050 2.410 3.482 0.002 14 0 "[ . 1 . 2]" 1
519 1 47 CYS H 1 47 CYS HB3 . . 4.400 3.773 3.448 3.987 . 0 0 "[ . 1 . 2]" 1
520 1 47 CYS HA 1 47 CYS HB3 . . 2.870 2.555 2.233 2.868 . 0 0 "[ . 1 . 2]" 1
521 1 47 CYS HA 1 48 ILE H . . 3.600 3.540 3.476 3.570 . 0 0 "[ . 1 . 2]" 1
522 1 47 CYS HA 1 48 ILE MG . . 6.500 4.291 3.760 5.344 . 0 0 "[ . 1 . 2]" 1
523 1 47 CYS HB2 1 48 ILE H . . 3.270 2.322 1.880 2.881 . 0 0 "[ . 1 . 2]" 1
524 1 47 CYS HB2 1 48 ILE QG . . 6.500 4.254 3.437 6.059 . 0 0 "[ . 1 . 2]" 1
525 1 47 CYS HB2 1 48 ILE MD . . 5.540 5.216 4.801 5.595 0.055 4 0 "[ . 1 . 2]" 1
526 1 47 CYS HB3 1 48 ILE H . . 3.950 2.732 1.971 3.915 . 0 0 "[ . 1 . 2]" 1
527 1 47 CYS HB3 1 48 ILE QG . . 6.380 3.825 2.031 6.401 0.021 5 0 "[ . 1 . 2]" 1
528 1 47 CYS HB3 1 48 ILE MD . . 6.530 4.731 3.456 6.518 . 0 0 "[ . 1 . 2]" 1
529 1 48 ILE H 1 48 ILE HB . . 3.940 3.676 3.196 3.942 0.002 19 0 "[ . 1 . 2]" 1
530 1 48 ILE H 1 49 PRO HA . . 4.400 4.105 4.065 4.152 . 0 0 "[ . 1 . 2]" 1
531 1 48 ILE H 1 62 ILE HA . . 5.500 5.267 4.841 5.513 0.013 19 0 "[ . 1 . 2]" 1
532 1 48 ILE HA 1 49 PRO HA . . 4.570 4.709 4.622 4.762 0.192 14 0 "[ . 1 . 2]" 1
533 1 48 ILE HB 1 48 ILE MD . . 3.740 2.311 2.058 3.203 . 0 0 "[ . 1 . 2]" 1
534 1 48 ILE QG 1 63 PRO QB . . 6.680 4.003 2.626 6.023 . 0 0 "[ . 1 . 2]" 1
535 1 48 ILE QG 1 63 PRO HG3 . . 5.930 3.127 2.016 5.139 . 0 0 "[ . 1 . 2]" 1
536 1 48 ILE MD 1 63 PRO HG3 . . 6.010 3.816 1.980 5.891 . 0 0 "[ . 1 . 2]" 1
537 1 49 PRO HA 1 50 ASP H . . 2.430 2.329 2.152 2.361 . 0 0 "[ . 1 . 2]" 1
538 1 49 PRO HA 1 62 ILE HA . . 3.030 2.714 2.073 2.989 . 0 0 "[ . 1 . 2]" 1
539 1 49 PRO QB 1 62 ILE HA . . 5.500 2.570 1.986 3.127 . 0 0 "[ . 1 . 2]" 1
540 1 49 PRO QB 1 50 ASP H . . 5.170 2.754 2.626 3.486 . 0 0 "[ . 1 . 2]" 1
541 1 49 PRO HD2 1 50 ASP H . . 5.500 5.590 5.504 5.604 0.104 19 0 "[ . 1 . 2]" 1
542 1 49 PRO HD3 1 62 ILE HA . . 4.880 4.801 4.420 4.896 0.016 10 0 "[ . 1 . 2]" 1
543 1 49 PRO HD3 1 62 ILE MG . . 4.970 4.416 4.099 4.703 . 0 0 "[ . 1 . 2]" 1
544 1 49 PRO QD 1 50 ASP H . . 5.640 4.961 4.907 4.970 . 0 0 "[ . 1 . 2]" 1
545 1 50 ASP H 1 51 VAL H . . 5.720 4.285 3.973 4.586 . 0 0 "[ . 1 . 2]" 1
546 1 50 ASP H 1 61 GLU H . . 3.540 3.182 2.463 3.548 0.008 13 0 "[ . 1 . 2]" 1
547 1 50 ASP H 1 62 ILE HA . . 3.990 3.788 3.308 4.006 0.016 18 0 "[ . 1 . 2]" 1
548 1 50 ASP HA 1 51 VAL H . . 2.650 2.174 2.139 2.242 . 0 0 "[ . 1 . 2]" 1
549 1 50 ASP HA 1 51 VAL MG2 . . 4.920 3.557 3.177 4.055 . 0 0 "[ . 1 . 2]" 1
550 1 51 VAL H 1 51 VAL HB . . 3.980 3.327 2.633 3.839 . 0 0 "[ . 1 . 2]" 1
551 1 51 VAL H 1 52 GLU H . . 5.500 4.369 4.174 4.524 . 0 0 "[ . 1 . 2]" 1
552 1 51 VAL HA 1 52 GLU H . . 2.530 2.170 2.141 2.223 . 0 0 "[ . 1 . 2]" 1
553 1 51 VAL HA 1 52 GLU QG . . 6.500 4.291 3.117 5.750 . 0 0 "[ . 1 . 2]" 1
554 1 51 VAL HA 1 60 LEU HA . . 2.620 2.302 1.997 2.625 0.005 6 0 "[ . 1 . 2]" 1
555 1 51 VAL HA 1 60 LEU QB . . 6.470 3.338 2.769 3.888 . 0 0 "[ . 1 . 2]" 1
556 1 51 VAL HA 1 61 GLU H . . 3.520 3.498 3.379 3.539 0.019 10 0 "[ . 1 . 2]" 1
557 1 51 VAL HB 1 52 GLU H . . 4.200 3.590 2.902 4.217 0.017 9 0 "[ . 1 . 2]" 1
558 1 51 VAL MG1 1 52 GLU H . . 4.820 3.477 2.505 4.189 . 0 0 "[ . 1 . 2]" 1
559 1 51 VAL MG1 1 58 MET QG . . 6.500 4.926 3.062 6.479 . 0 0 "[ . 1 . 2]" 1
560 1 51 VAL MG1 1 60 LEU HA . . 4.930 3.392 2.816 4.093 . 0 0 "[ . 1 . 2]" 1
561 1 51 VAL MG1 1 61 GLU H . . 6.500 4.568 3.899 4.918 . 0 0 "[ . 1 . 2]" 1
562 1 52 GLU H 1 52 GLU HB2 . . 3.550 3.187 2.759 3.558 0.008 8 0 "[ . 1 . 2]" 1
563 1 52 GLU H 1 52 GLU HB3 . . 3.960 3.299 2.350 3.958 . 0 0 "[ . 1 . 2]" 1
564 1 52 GLU H 1 53 LEU H . . 5.800 4.328 4.160 4.512 . 0 0 "[ . 1 . 2]" 1
565 1 52 GLU H 1 59 THR H . . 4.120 3.934 3.534 4.120 . 6 0 "[ . 1 . 2]" 1
566 1 52 GLU H 1 59 THR HB . . 4.490 3.509 2.882 4.208 . 0 0 "[ . 1 . 2]" 1
567 1 52 GLU H 1 60 LEU HA . . 3.320 3.028 2.570 3.320 0.000 2 0 "[ . 1 . 2]" 1
568 1 52 GLU HA 1 53 LEU H . . 2.600 2.168 2.154 2.254 . 0 0 "[ . 1 . 2]" 1
569 1 52 GLU HA 1 53 LEU QD . . 7.940 4.896 4.752 5.007 . 0 0 "[ . 1 . 2]" 1
570 1 52 GLU HB2 1 53 LEU H . . 3.980 3.866 3.622 3.988 0.008 8 0 "[ . 1 . 2]" 1
571 1 52 GLU HB3 1 53 LEU H . . 5.500 3.729 2.825 4.415 . 0 0 "[ . 1 . 2]" 1
572 1 52 GLU QG 1 53 LEU H . . 6.130 3.847 2.305 4.818 . 0 0 "[ . 1 . 2]" 1
573 1 53 LEU H 1 54 SER H . . 4.390 4.212 4.096 4.334 . 0 0 "[ . 1 . 2]" 1
574 1 53 LEU HA 1 53 LEU MD2 . . 2.980 2.122 1.978 2.304 . 0 0 "[ . 1 . 2]" 1
575 1 53 LEU HA 1 54 SER H . . 2.490 2.141 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
576 1 53 LEU HA 1 57 VAL H . . 5.100 4.953 4.349 5.103 0.003 3 0 "[ . 1 . 2]" 1
577 1 53 LEU HA 1 57 VAL HB . . 4.930 4.809 4.014 4.939 0.009 9 0 "[ . 1 . 2]" 1
578 1 53 LEU HA 1 58 MET HA . . 2.600 2.476 2.310 2.607 0.007 1 0 "[ . 1 . 2]" 1
579 1 53 LEU HA 1 59 THR H . . 3.990 3.191 2.933 3.426 . 0 0 "[ . 1 . 2]" 1
580 1 53 LEU QB 1 54 SER H . . 5.110 3.819 3.736 3.873 . 0 0 "[ . 1 . 2]" 1
581 1 53 LEU QB 1 58 MET QG . . 5.400 3.217 2.718 3.891 . 0 0 "[ . 1 . 2]" 1
582 1 53 LEU MD1 1 58 MET HA . . 5.320 5.315 5.083 5.338 0.018 8 0 "[ . 1 . 2]" 1
583 1 53 LEU MD1 1 58 MET QG . . 6.500 5.160 4.811 5.788 . 0 0 "[ . 1 . 2]" 1
584 1 53 LEU MD1 1 57 VAL H . . 5.730 4.921 3.925 5.263 . 0 0 "[ . 1 . 2]" 1
585 1 54 SER H 1 54 SER HB2 . . 3.980 2.757 2.409 3.291 . 0 0 "[ . 1 . 2]" 1
586 1 54 SER H 1 55 HIS H . . 5.160 4.315 3.948 4.512 . 0 0 "[ . 1 . 2]" 1
587 1 54 SER H 1 57 VAL H . . 3.330 3.327 2.889 3.397 0.067 20 0 "[ . 1 . 2]" 1
588 1 54 SER H 1 57 VAL HB . . 4.510 3.039 2.081 3.209 . 0 0 "[ . 1 . 2]" 1
589 1 54 SER H 1 57 VAL MG2 . . 5.870 4.296 3.669 4.575 . 0 0 "[ . 1 . 2]" 1
590 1 54 SER H 1 58 MET HA . . 4.200 3.253 3.049 3.638 . 0 0 "[ . 1 . 2]" 1
591 1 54 SER HA 1 55 HIS H . . 2.960 2.268 2.141 2.419 . 0 0 "[ . 1 . 2]" 1
592 1 54 SER HB3 1 57 VAL HB . . 5.230 3.004 2.075 4.251 . 0 0 "[ . 1 . 2]" 1
593 1 55 HIS H 1 57 VAL H . . 4.540 4.388 3.928 4.559 0.019 20 0 "[ . 1 . 2]" 1
594 1 55 HIS HA 1 55 HIS HD2 . . 3.950 2.627 2.027 3.560 . 0 0 "[ . 1 . 2]" 1
595 1 55 HIS HA 1 56 GLY H . . 2.650 2.251 2.230 2.300 . 0 0 "[ . 1 . 2]" 1
596 1 55 HIS HA 1 57 VAL H . . 3.870 3.817 3.771 3.885 0.015 1 0 "[ . 1 . 2]" 1
597 1 56 GLY H 1 57 VAL H . . 2.430 2.199 2.040 2.478 0.048 12 0 "[ . 1 . 2]" 1
598 1 56 GLY H 1 57 VAL MG2 . . 5.540 4.111 3.860 4.312 . 0 0 "[ . 1 . 2]" 1
599 1 56 GLY HA2 1 72 LYS H . . 3.700 3.654 3.188 3.721 0.021 9 0 "[ . 1 . 2]" 1
600 1 56 GLY HA2 1 73 GLN H . . 5.500 5.083 3.717 5.509 0.009 1 0 "[ . 1 . 2]" 1
601 1 57 VAL H 1 57 VAL HB . . 3.100 3.043 2.726 3.119 0.019 19 0 "[ . 1 . 2]" 1
602 1 57 VAL H 1 57 VAL MG2 . . 4.610 2.767 2.330 3.072 . 0 0 "[ . 1 . 2]" 1
603 1 57 VAL H 1 71 ASN HA . . 4.650 4.496 4.205 4.653 0.003 11 0 "[ . 1 . 2]" 1
604 1 57 VAL H 1 72 LYS H . . 4.890 4.803 4.598 4.901 0.011 11 0 "[ . 1 . 2]" 1
605 1 57 VAL HA 1 58 MET H . . 3.000 2.267 2.207 2.317 . 0 0 "[ . 1 . 2]" 1
606 1 57 VAL HA 1 70 ILE H . . 4.980 4.872 4.630 4.989 0.009 7 0 "[ . 1 . 2]" 1
607 1 57 VAL HA 1 71 ASN H . . 5.460 4.526 4.275 4.690 . 0 0 "[ . 1 . 2]" 1
608 1 57 VAL HA 1 71 ASN HA . . 2.930 2.015 1.988 2.187 . 0 0 "[ . 1 . 2]" 1
609 1 57 VAL HA 1 71 ASN QB . . 4.230 2.365 1.972 3.241 . 0 0 "[ . 1 . 2]" 1
610 1 57 VAL HB 1 58 MET H . . 3.780 3.671 3.416 3.794 0.014 12 0 "[ . 1 . 2]" 1
611 1 57 VAL HB 1 59 THR H . . 4.470 4.397 4.229 4.482 0.012 19 0 "[ . 1 . 2]" 1
612 1 57 VAL HB 1 59 THR MG . . 5.400 5.105 4.752 5.394 . 0 0 "[ . 1 . 2]" 1
613 1 57 VAL HB 1 69 VAL MG1 . . 5.890 4.851 4.369 5.249 . 0 0 "[ . 1 . 2]" 1
614 1 57 VAL HB 1 71 ASN HA . . 5.230 4.978 4.917 5.194 . 0 0 "[ . 1 . 2]" 1
615 1 57 VAL MG1 1 70 ILE H . . 6.230 3.595 3.309 3.849 . 0 0 "[ . 1 . 2]" 1
616 1 57 VAL MG1 1 71 ASN HA . . 5.720 3.175 2.916 3.680 . 0 0 "[ . 1 . 2]" 1
617 1 57 VAL MG2 1 58 MET H . . 5.940 4.028 3.842 4.184 . 0 0 "[ . 1 . 2]" 1
618 1 58 MET H 1 69 VAL MG1 . . 4.870 3.424 3.137 3.656 . 0 0 "[ . 1 . 2]" 1
619 1 58 MET H 1 70 ILE H . . 3.100 2.887 2.697 3.036 . 0 0 "[ . 1 . 2]" 1
620 1 58 MET H 1 71 ASN HA . . 3.600 2.999 2.832 3.253 . 0 0 "[ . 1 . 2]" 1
621 1 58 MET H 1 71 ASN QB . . 4.760 3.508 3.223 4.154 . 0 0 "[ . 1 . 2]" 1
622 1 58 MET QB 1 70 ILE HB . . 5.780 2.258 1.948 2.630 . 0 0 "[ . 1 . 2]" 1
623 1 58 MET QG 1 59 THR H . . 6.380 3.974 3.363 4.511 . 0 0 "[ . 1 . 2]" 1
624 1 59 THR H 1 59 THR HB . . 3.760 3.217 3.077 3.425 . 0 0 "[ . 1 . 2]" 1
625 1 59 THR H 1 69 VAL MG1 . . 5.340 3.843 3.485 4.260 . 0 0 "[ . 1 . 2]" 1
626 1 59 THR HA 1 60 LEU QB . . 6.380 3.962 3.876 4.147 . 0 0 "[ . 1 . 2]" 1
627 1 59 THR HA 1 69 VAL HA . . 2.760 2.381 2.079 2.642 . 0 0 "[ . 1 . 2]" 1
628 1 59 THR HA 1 69 VAL MG1 . . 5.500 2.180 1.970 2.457 . 0 0 "[ . 1 . 2]" 1
629 1 59 THR HA 1 70 ILE H . . 3.790 3.448 3.162 3.782 . 0 0 "[ . 1 . 2]" 1
630 1 59 THR HB 1 60 LEU H . . 5.400 3.378 3.061 3.967 . 0 0 "[ . 1 . 2]" 1
631 1 59 THR HB 1 69 VAL HA . . 5.970 5.166 4.834 5.436 . 0 0 "[ . 1 . 2]" 1
632 1 59 THR HB 1 60 LEU HA . . 5.510 4.078 3.942 4.405 . 0 0 "[ . 1 . 2]" 1
633 1 60 LEU H 1 61 GLU H . . 5.250 3.861 3.518 4.245 . 0 0 "[ . 1 . 2]" 1
634 1 60 LEU H 1 60 LEU HG . . 4.400 4.310 3.959 4.407 0.007 13 0 "[ . 1 . 2]" 1
635 1 60 LEU H 1 68 TYR H . . 3.980 3.872 3.572 3.985 0.005 8 0 "[ . 1 . 2]" 1
636 1 60 LEU H 1 69 VAL HA . . 3.260 3.089 2.975 3.199 . 0 0 "[ . 1 . 2]" 1
637 1 60 LEU H 1 69 VAL MG1 . . 5.980 3.722 3.430 4.072 . 0 0 "[ . 1 . 2]" 1
638 1 60 LEU H 1 70 ILE H . . 4.880 4.854 4.540 4.893 0.013 1 0 "[ . 1 . 2]" 1
639 1 60 LEU HA 1 60 LEU HG . . 3.600 3.070 2.882 3.465 . 0 0 "[ . 1 . 2]" 1
640 1 60 LEU HA 1 61 GLU H . . 2.950 2.183 2.141 2.258 . 0 0 "[ . 1 . 2]" 1
641 1 60 LEU QB 1 61 GLU H . . 4.330 3.918 3.680 4.012 . 0 0 "[ . 1 . 2]" 1
642 1 60 LEU QB 1 67 THR HA . . 6.480 5.171 4.789 5.612 . 0 0 "[ . 1 . 2]" 1
643 1 60 LEU QB 1 70 ILE QG . . 6.500 4.489 3.847 5.202 . 0 0 "[ . 1 . 2]" 1
644 1 60 LEU HG 1 61 GLU H . . 3.690 3.557 3.110 3.704 0.014 3 0 "[ . 1 . 2]" 1
645 1 60 LEU HG 1 62 ILE MD . . 3.430 2.421 1.878 3.212 . 0 0 "[ . 1 . 2]" 1
646 1 60 LEU QD 1 61 GLU HA . . 5.860 4.456 3.534 4.658 . 0 0 "[ . 1 . 2]" 1
647 1 60 LEU QD 1 62 ILE QG . . 5.940 2.476 1.924 2.756 . 0 0 "[ . 1 . 2]" 1
648 1 60 LEU QD 1 62 ILE MD . . 6.030 1.940 1.647 2.291 . 0 0 "[ . 1 . 2]" 1
649 1 61 GLU H 1 61 GLU HB3 . . 2.990 2.236 2.084 2.396 . 0 0 "[ . 1 . 2]" 1
650 1 61 GLU H 1 62 ILE H . . 5.130 4.556 4.389 4.613 . 0 0 "[ . 1 . 2]" 1
651 1 61 GLU H 1 61 GLU HB2 . . 4.400 3.070 2.689 3.530 . 0 0 "[ . 1 . 2]" 1
652 1 61 GLU H 1 62 ILE QG . . 6.380 4.323 3.945 4.558 . 0 0 "[ . 1 . 2]" 1
653 1 61 GLU HA 1 61 GLU HB2 . . 2.400 2.304 2.229 2.404 0.004 8 0 "[ . 1 . 2]" 1
654 1 61 GLU HA 1 62 ILE H . . 2.460 2.191 2.139 2.233 . 0 0 "[ . 1 . 2]" 1
655 1 61 GLU HA 1 67 THR HA . . 2.900 2.356 2.158 2.523 . 0 0 "[ . 1 . 2]" 1
656 1 61 GLU HA 1 67 THR MG . . 3.540 2.280 1.812 3.590 0.050 17 0 "[ . 1 . 2]" 1
657 1 61 GLU HA 1 68 TYR H . . 3.600 3.379 3.122 3.578 . 0 0 "[ . 1 . 2]" 1
658 1 61 GLU HB2 1 62 ILE H . . 4.320 3.803 3.462 4.195 . 0 0 "[ . 1 . 2]" 1
659 1 61 GLU HB3 1 62 ILE H . . 4.450 4.272 4.064 4.408 . 0 0 "[ . 1 . 2]" 1
660 1 61 GLU QG 1 62 ILE H . . 5.790 2.606 2.314 3.245 . 0 0 "[ . 1 . 2]" 1
661 1 61 GLU QG 1 63 PRO QG . . 4.450 3.876 3.608 4.463 0.013 6 0 "[ . 1 . 2]" 1
662 1 61 GLU QG 1 63 PRO HD2 . . 6.380 3.684 3.393 4.101 . 0 0 "[ . 1 . 2]" 1
663 1 61 GLU QG 1 63 PRO HD3 . . 6.380 2.318 1.983 2.887 . 0 0 "[ . 1 . 2]" 1
664 1 62 ILE H 1 62 ILE HB . . 2.900 2.868 2.738 2.915 0.015 20 0 "[ . 1 . 2]" 1
665 1 62 ILE H 1 66 GLY H . . 5.500 4.104 3.847 4.226 . 0 0 "[ . 1 . 2]" 1
666 1 62 ILE H 1 67 THR HA . . 3.070 2.352 2.116 2.715 . 0 0 "[ . 1 . 2]" 1
667 1 62 ILE H 1 67 THR MG . . 5.430 3.562 3.125 4.201 . 0 0 "[ . 1 . 2]" 1
668 1 62 ILE HA 1 66 GLY H . . 4.970 4.897 4.723 4.997 0.027 17 0 "[ . 1 . 2]" 1
669 1 62 ILE HB 1 62 ILE MD . . 3.430 2.911 2.208 3.227 . 0 0 "[ . 1 . 2]" 1
670 1 62 ILE HB 1 66 GLY H . . 3.320 2.759 2.459 3.100 . 0 0 "[ . 1 . 2]" 1
671 1 62 ILE HB 1 67 THR HA . . 4.100 3.694 3.364 4.101 0.001 6 0 "[ . 1 . 2]" 1
672 1 62 ILE QG 1 67 THR HA . . 4.180 3.108 2.682 3.882 . 0 0 "[ . 1 . 2]" 1
673 1 62 ILE QG 1 68 TYR H . . 3.430 2.828 2.508 3.429 . 0 0 "[ . 1 . 2]" 1
674 1 62 ILE QG 1 119 ILE MD . . 7.900 4.916 4.373 5.970 . 0 0 "[ . 1 . 2]" 1
675 1 62 ILE MD 1 119 ILE MD . . 7.500 3.812 3.014 4.800 . 0 0 "[ . 1 . 2]" 1
676 1 62 ILE MG 1 119 ILE MD . . 7.500 3.497 2.992 4.176 . 0 0 "[ . 1 . 2]" 1
677 1 63 PRO HA 1 64 ALA H . . 2.970 2.528 2.239 2.878 . 0 0 "[ . 1 . 2]" 1
678 1 64 ALA H 1 65 PHE H . . 4.400 2.004 1.794 2.620 . 0 0 "[ . 1 . 2]" 1
679 1 64 ALA HA 1 65 PHE H . . 3.970 3.501 3.258 3.547 . 0 0 "[ . 1 . 2]" 1
680 1 64 ALA MB 1 119 ILE QG . . 7.500 4.258 3.265 5.011 . 0 0 "[ . 1 . 2]" 1
681 1 64 ALA MB 1 119 ILE MG . . 7.230 4.833 3.933 5.727 . 0 0 "[ . 1 . 2]" 1
682 1 65 PHE H 1 65 PHE HB2 . . 4.400 3.228 2.708 3.786 . 0 0 "[ . 1 . 2]" 1
683 1 65 PHE H 1 65 PHE HB3 . . 4.140 3.735 3.228 3.906 . 0 0 "[ . 1 . 2]" 1
684 1 65 PHE HA 1 65 PHE HB3 . . 2.400 2.275 2.234 2.458 0.058 14 0 "[ . 1 . 2]" 1
685 1 65 PHE HA 1 84 PRO HB2 . . 4.730 4.564 3.859 4.735 0.005 16 0 "[ . 1 . 2]" 1
686 1 65 PHE HA 1 84 PRO QB . . 5.320 4.365 3.736 4.530 . 0 0 "[ . 1 . 2]" 1
687 1 65 PHE HD2 1 115 VAL MG1 . . 5.270 4.078 2.867 5.278 0.008 17 0 "[ . 1 . 2]" 1
688 1 65 PHE HD2 1 119 ILE MG . . 6.800 5.670 4.226 7.409 0.609 11 1 "[ . 1+ . 2]" 1
689 1 65 PHE QE 1 115 VAL HA . . 4.990 4.866 4.033 4.953 . 0 0 "[ . 1 . 2]" 1
690 1 65 PHE QE 1 115 VAL MG1 . . 5.830 3.907 2.517 5.651 . 0 0 "[ . 1 . 2]" 1
691 1 65 PHE QE 1 119 ILE MG . . 4.930 3.529 2.677 4.197 . 0 0 "[ . 1 . 2]" 1
692 1 65 PHE QE 1 118 ALA MB . . 6.500 4.240 2.783 4.938 . 0 0 "[ . 1 . 2]" 1
693 1 67 THR H 1 67 THR HB . . 3.400 2.961 2.807 3.373 . 0 0 "[ . 1 . 2]" 1
694 1 67 THR H 1 68 TYR H . . 5.020 4.214 4.146 4.259 . 0 0 "[ . 1 . 2]" 1
695 1 67 THR H 1 84 PRO HA . . 4.280 1.901 1.887 2.049 . 0 0 "[ . 1 . 2]" 1
696 1 67 THR H 1 84 PRO QG . . 4.990 4.631 4.557 4.819 . 0 0 "[ . 1 . 2]" 1
697 1 67 THR HA 1 67 THR HB . . 3.120 2.890 2.389 3.023 . 0 0 "[ . 1 . 2]" 1
698 1 67 THR HA 1 68 TYR H . . 2.940 2.143 2.141 2.146 . 0 0 "[ . 1 . 2]" 1
699 1 67 THR HA 1 84 PRO QG . . 6.340 6.088 5.961 6.222 . 0 0 "[ . 1 . 2]" 1
700 1 67 THR HB 1 68 TYR H . . 4.180 4.157 3.983 4.228 0.048 1 0 "[ . 1 . 2]" 1
701 1 68 TYR H 1 68 TYR HB2 . . 2.990 2.207 2.184 2.228 . 0 0 "[ . 1 . 2]" 1
702 1 68 TYR H 1 68 TYR HB3 . . 3.580 3.438 3.369 3.500 . 0 0 "[ . 1 . 2]" 1
703 1 68 TYR HA 1 69 VAL H . . 2.400 2.170 2.140 2.243 . 0 0 "[ . 1 . 2]" 1
704 1 68 TYR HA 1 69 VAL HA . . 5.760 4.411 4.395 4.444 . 0 0 "[ . 1 . 2]" 1
705 1 68 TYR HA 1 83 SER QB . . 5.840 5.354 5.190 5.465 . 0 0 "[ . 1 . 2]" 1
706 1 68 TYR HA 1 84 PRO HD2 . . 5.290 5.243 5.178 5.312 0.022 1 0 "[ . 1 . 2]" 1
707 1 68 TYR HA 1 84 PRO HD3 . . 4.100 3.916 3.832 4.074 . 0 0 "[ . 1 . 2]" 1
708 1 68 TYR HB2 1 69 VAL H . . 4.750 4.374 4.227 4.477 . 0 0 "[ . 1 . 2]" 1
709 1 68 TYR HB3 1 69 VAL H . . 3.970 3.329 3.052 3.544 . 0 0 "[ . 1 . 2]" 1
710 1 68 TYR HD1 1 83 SER HA . . 3.200 3.064 2.963 3.201 0.001 20 0 "[ . 1 . 2]" 1
711 1 68 TYR HD1 1 83 SER QB . . 5.980 5.059 4.722 5.314 . 0 0 "[ . 1 . 2]" 1
712 1 68 TYR HD1 1 70 ILE MD . . 5.640 4.219 3.548 4.722 . 0 0 "[ . 1 . 2]" 1
713 1 68 TYR HE2 1 111 LEU HA . . 5.500 5.506 5.497 5.516 0.016 15 0 "[ . 1 . 2]" 1
714 1 68 TYR HE2 1 115 VAL HA . . 5.500 3.115 2.750 3.659 . 0 0 "[ . 1 . 2]" 1
715 1 68 TYR HE2 1 115 VAL MG1 . . 5.500 2.434 1.796 3.427 . 0 0 "[ . 1 . 2]" 1
716 1 68 TYR HE1 1 83 SER QB . . 6.030 4.200 3.562 4.626 . 0 0 "[ . 1 . 2]" 1
717 1 68 TYR HE1 1 110 ILE MG . . 6.500 4.143 3.751 4.329 . 0 0 "[ . 1 . 2]" 1
718 1 68 TYR HE1 1 111 LEU HA . . 5.500 3.555 3.380 3.750 . 0 0 "[ . 1 . 2]" 1
719 1 68 TYR HE1 1 115 VAL H . . 5.500 5.505 5.488 5.517 0.017 18 0 "[ . 1 . 2]" 1
720 1 69 VAL H 1 82 ALA H . . 3.280 3.285 3.174 3.333 0.053 1 0 "[ . 1 . 2]" 1
721 1 69 VAL H 1 83 SER HA . . 4.240 4.265 4.239 4.338 0.098 1 0 "[ . 1 . 2]" 1
722 1 69 VAL HA 1 70 ILE H . . 2.840 2.205 2.186 2.237 . 0 0 "[ . 1 . 2]" 1
723 1 69 VAL HA 1 70 ILE QG . . 4.970 3.452 3.074 4.050 . 0 0 "[ . 1 . 2]" 1
724 1 69 VAL HB 1 70 ILE H . . 4.100 3.699 3.575 3.788 . 0 0 "[ . 1 . 2]" 1
725 1 69 VAL HB 1 81 LEU HA . . 4.970 4.593 4.377 4.865 . 0 0 "[ . 1 . 2]" 1
726 1 69 VAL HB 1 82 ALA H . . 3.450 2.721 2.521 2.956 . 0 0 "[ . 1 . 2]" 1
727 1 69 VAL HB 1 82 ALA MB . . 3.060 1.774 1.767 1.781 . 0 0 "[ . 1 . 2]" 1
728 1 69 VAL MG1 1 70 ILE H . . 3.920 2.404 2.209 2.521 . 0 0 "[ . 1 . 2]" 1
729 1 69 VAL MG1 1 70 ILE HA . . 5.760 4.019 3.928 4.101 . 0 0 "[ . 1 . 2]" 1
730 1 69 VAL MG2 1 82 ALA H . . 5.430 3.893 3.812 4.008 . 0 0 "[ . 1 . 2]" 1
731 1 69 VAL MG2 1 82 ALA MB . . 6.960 1.880 1.865 1.903 . 0 0 "[ . 1 . 2]" 1
732 1 70 ILE H 1 70 ILE HB . . 4.070 3.110 2.936 3.245 . 0 0 "[ . 1 . 2]" 1
733 1 70 ILE HA 1 70 ILE MD . . 4.640 3.709 3.421 4.008 . 0 0 "[ . 1 . 2]" 1
734 1 70 ILE HA 1 71 ASN H . . 2.690 2.147 2.142 2.155 . 0 0 "[ . 1 . 2]" 1
735 1 70 ILE HA 1 80 TRP H . . 4.800 4.813 4.802 4.839 0.039 15 0 "[ . 1 . 2]" 1
736 1 70 ILE HA 1 81 LEU HA . . 2.780 2.514 2.254 2.710 . 0 0 "[ . 1 . 2]" 1
737 1 70 ILE HA 1 81 LEU MD2 . . 4.560 2.693 2.270 2.919 . 0 0 "[ . 1 . 2]" 1
738 1 70 ILE HA 1 107 LEU MD1 . . 6.500 4.754 3.751 5.627 . 0 0 "[ . 1 . 2]" 1
739 1 70 ILE HB 1 71 ASN H . . 4.620 4.122 4.026 4.268 . 0 0 "[ . 1 . 2]" 1
740 1 70 ILE HB 1 79 ILE MG . . 7.500 4.809 4.001 5.572 . 0 0 "[ . 1 . 2]" 1
741 1 70 ILE HB 1 81 LEU MD2 . . 7.650 3.837 3.433 4.326 . 0 0 "[ . 1 . 2]" 1
742 1 70 ILE HB 1 107 LEU MD1 . . 6.500 4.914 3.963 5.748 . 0 0 "[ . 1 . 2]" 1
743 1 70 ILE QG 1 81 LEU HA . . 4.530 3.345 2.860 3.632 . 0 0 "[ . 1 . 2]" 1
744 1 70 ILE QG 1 81 LEU HG . . 5.830 4.157 3.672 4.831 . 0 0 "[ . 1 . 2]" 1
745 1 70 ILE QG 1 107 LEU HG . . 6.500 5.141 4.208 6.098 . 0 0 "[ . 1 . 2]" 1
746 1 70 ILE QG 1 111 LEU HG . . 6.500 3.572 2.610 4.254 . 0 0 "[ . 1 . 2]" 1
747 1 70 ILE MG 1 107 LEU HG . . 6.500 3.500 2.542 4.493 . 0 0 "[ . 1 . 2]" 1
748 1 70 ILE MD 1 81 LEU HG . . 5.830 4.587 3.124 5.830 . 0 0 "[ . 1 . 2]" 1
749 1 70 ILE MD 1 111 LEU HG . . 5.820 3.025 1.826 4.125 . 0 0 "[ . 1 . 2]" 1
750 1 71 ASN H 1 79 ILE MG . . 5.430 3.780 3.453 4.099 . 0 0 "[ . 1 . 2]" 1
751 1 71 ASN H 1 79 ILE HA . . 4.900 4.822 4.577 4.912 0.012 8 0 "[ . 1 . 2]" 1
752 1 71 ASN H 1 80 TRP H . . 3.290 3.233 3.005 3.311 0.021 1 0 "[ . 1 . 2]" 1
753 1 71 ASN H 1 80 TRP HB2 . . 3.760 3.203 2.918 3.561 . 0 0 "[ . 1 . 2]" 1
754 1 71 ASN H 1 80 TRP HB3 . . 4.750 3.585 3.150 3.915 . 0 0 "[ . 1 . 2]" 1
755 1 71 ASN H 1 81 LEU HA . . 4.320 3.805 3.665 3.951 . 0 0 "[ . 1 . 2]" 1
756 1 71 ASN HA 1 72 LYS H . . 3.000 2.367 2.280 2.399 . 0 0 "[ . 1 . 2]" 1
757 1 71 ASN HA 1 73 GLN H . . 4.980 4.553 3.881 4.997 0.017 18 0 "[ . 1 . 2]" 1
758 1 71 ASN QB 1 72 LYS H . . 3.800 2.953 2.435 3.365 . 0 0 "[ . 1 . 2]" 1
759 1 71 ASN QB 1 73 GLN H . . 6.200 3.701 2.762 4.350 . 0 0 "[ . 1 . 2]" 1
760 1 71 ASN QB 1 79 ILE HA . . 6.380 5.348 4.787 5.690 . 0 0 "[ . 1 . 2]" 1
761 1 72 LYS H 1 73 GLN H . . 3.230 2.639 1.875 3.032 . 0 0 "[ . 1 . 2]" 1
762 1 72 LYS HA 1 73 GLN H . . 3.100 2.700 2.472 3.121 0.021 10 0 "[ . 1 . 2]" 1
763 1 72 LYS HA 1 78 GLN H . . 5.500 4.501 4.069 4.701 . 0 0 "[ . 1 . 2]" 1
764 1 72 LYS HA 1 79 ILE HA . . 2.790 2.494 2.060 2.799 0.009 4 0 "[ . 1 . 2]" 1
765 1 72 LYS HA 1 80 TRP H . . 3.990 3.276 2.992 3.575 . 0 0 "[ . 1 . 2]" 1
766 1 72 LYS QB 1 73 GLN H . . 6.380 3.970 3.795 4.060 . 0 0 "[ . 1 . 2]" 1
767 1 72 LYS QB 1 79 ILE HA . . 6.230 3.439 2.648 4.323 . 0 0 "[ . 1 . 2]" 1
768 1 72 LYS QG 1 73 GLN H . . 5.360 4.282 3.857 4.664 . 0 0 "[ . 1 . 2]" 1
769 1 72 LYS QG 1 73 GLN HA . . 5.220 4.391 3.800 5.231 0.011 2 0 "[ . 1 . 2]" 1
770 1 73 GLN H 1 78 GLN H . . 5.500 5.286 4.658 5.535 0.035 1 0 "[ . 1 . 2]" 1
771 1 73 GLN H 1 79 ILE HA . . 5.100 4.800 4.627 5.111 0.011 12 0 "[ . 1 . 2]" 1
772 1 75 PRO HA 1 76 ASN H . . 3.500 3.061 2.585 3.326 . 0 0 "[ . 1 . 2]" 1
773 1 76 ASN H 1 77 LYS H . . 3.400 2.748 1.792 3.406 0.006 8 0 "[ . 1 . 2]" 1
774 1 76 ASN H 1 78 GLN H . . 5.040 4.613 4.334 5.051 0.011 8 0 "[ . 1 . 2]" 1
775 1 76 ASN HA 1 77 LYS H . . 3.620 3.331 2.805 3.535 . 0 0 "[ . 1 . 2]" 1
776 1 76 ASN HA 1 77 LYS HA . . 5.500 4.834 4.743 4.937 . 0 0 "[ . 1 . 2]" 1
777 1 76 ASN QB 1 77 LYS H . . 4.490 2.454 1.841 4.006 . 0 0 "[ . 1 . 2]" 1
778 1 77 LYS H 1 77 LYS HB2 . . 3.810 3.529 3.092 3.835 0.025 19 0 "[ . 1 . 2]" 1
779 1 77 LYS H 1 78 GLN H . . 3.600 3.393 2.942 3.659 0.059 17 0 "[ . 1 . 2]" 1
780 1 77 LYS HA 1 77 LYS HB2 . . 2.800 2.385 2.270 2.806 0.006 4 0 "[ . 1 . 2]" 1
781 1 77 LYS HA 1 77 LYS QD . . 4.860 3.857 2.839 4.346 . 0 0 "[ . 1 . 2]" 1
782 1 77 LYS HB2 1 78 GLN H . . 4.920 4.428 4.025 4.666 . 0 0 "[ . 1 . 2]" 1
783 1 77 LYS HB2 1 98 TRP HZ3 . . 5.500 5.332 3.056 5.534 0.034 17 0 "[ . 1 . 2]" 1
784 1 77 LYS HB3 1 78 GLN H . . 5.500 4.526 4.140 4.619 . 0 0 "[ . 1 . 2]" 1
785 1 77 LYS HB3 1 78 GLN HA . . 5.500 5.244 4.399 5.513 0.013 9 0 "[ . 1 . 2]" 1
786 1 77 LYS QG 1 78 GLN H . . 6.380 3.593 3.407 4.658 . 0 0 "[ . 1 . 2]" 1
787 1 77 LYS QG 1 93 LEU H . . 5.380 4.318 2.845 5.347 . 0 0 "[ . 1 . 2]" 1
788 1 77 LYS QG 1 93 LEU HA . . 6.500 5.905 4.623 6.503 0.003 9 0 "[ . 1 . 2]" 1
789 1 77 LYS QG 1 98 TRP HE3 . . 6.500 5.054 3.975 6.505 0.005 9 0 "[ . 1 . 2]" 1
790 1 78 GLN H 1 78 GLN HG2 . . 5.500 5.039 4.510 5.140 . 0 0 "[ . 1 . 2]" 1
791 1 78 GLN H 1 78 GLN HG3 . . 5.500 4.225 4.092 5.004 . 0 0 "[ . 1 . 2]" 1
792 1 78 GLN H 1 79 ILE H . . 4.720 4.347 4.028 4.372 . 0 0 "[ . 1 . 2]" 1
793 1 78 GLN H 1 98 TRP HZ3 . . 4.270 4.092 3.365 4.286 0.016 15 0 "[ . 1 . 2]" 1
794 1 78 GLN HA 1 79 ILE H . . 3.040 2.463 2.145 2.552 . 0 0 "[ . 1 . 2]" 1
795 1 78 GLN HA 1 79 ILE HB . . 4.910 4.350 4.221 4.602 . 0 0 "[ . 1 . 2]" 1
796 1 78 GLN HA 1 91 PHE H . . 4.960 4.798 4.272 4.974 0.014 20 0 "[ . 1 . 2]" 1
797 1 78 GLN HA 1 92 ASP HA . . 4.160 3.274 2.746 3.673 . 0 0 "[ . 1 . 2]" 1
798 1 78 GLN HA 1 98 TRP HE3 . . 3.780 3.150 2.648 3.791 0.011 16 0 "[ . 1 . 2]" 1
799 1 78 GLN HA 1 98 TRP HZ3 . . 3.430 2.453 1.991 3.379 . 0 0 "[ . 1 . 2]" 1
800 1 78 GLN QB 1 79 ILE HA . . 6.280 4.159 4.057 4.840 . 0 0 "[ . 1 . 2]" 1
801 1 78 GLN QG 1 79 ILE H . . 6.380 3.149 2.019 3.546 . 0 0 "[ . 1 . 2]" 1
802 1 78 GLN HG2 1 90 ARG HA . . 4.870 4.430 2.817 4.873 0.003 14 0 "[ . 1 . 2]" 1
803 1 78 GLN HG2 1 92 ASP H . . 4.870 4.302 3.765 4.907 0.037 18 0 "[ . 1 . 2]" 1
804 1 79 ILE H 1 79 ILE HB . . 2.400 2.391 2.284 2.486 0.086 18 0 "[ . 1 . 2]" 1
805 1 79 ILE H 1 91 PHE H . . 4.010 2.689 2.089 3.362 . 0 0 "[ . 1 . 2]" 1
806 1 79 ILE H 1 91 PHE HB2 . . 3.300 2.902 2.536 3.220 . 0 0 "[ . 1 . 2]" 1
807 1 79 ILE H 1 92 ASP HA . . 4.290 4.043 3.878 4.220 . 0 0 "[ . 1 . 2]" 1
808 1 79 ILE H 1 98 TRP HZ3 . . 4.170 4.075 3.323 4.180 0.010 4 0 "[ . 1 . 2]" 1
809 1 79 ILE H 1 98 TRP HE3 . . 3.420 3.261 2.946 3.441 0.021 1 0 "[ . 1 . 2]" 1
810 1 79 ILE HA 1 80 TRP H . . 2.640 2.142 2.138 2.155 . 0 0 "[ . 1 . 2]" 1
811 1 79 ILE HB 1 80 TRP H . . 5.500 4.452 4.312 4.560 . 0 0 "[ . 1 . 2]" 1
812 1 79 ILE HB 1 90 ARG HA . . 5.500 5.431 5.150 5.518 0.018 15 0 "[ . 1 . 2]" 1
813 1 79 ILE HB 1 98 TRP HA . . 5.500 4.983 4.466 5.502 0.002 16 0 "[ . 1 . 2]" 1
814 1 79 ILE HB 1 107 LEU QB . . 6.500 4.336 3.808 4.641 . 0 0 "[ . 1 . 2]" 1
815 1 79 ILE HB 1 107 LEU MD2 . . 6.500 4.219 2.904 6.464 . 0 0 "[ . 1 . 2]" 1
816 1 79 ILE MG 1 81 LEU MD1 . . 6.970 5.016 4.392 5.298 . 0 0 "[ . 1 . 2]" 1
817 1 79 ILE MG 1 81 LEU MD2 . . 6.560 3.702 2.137 4.529 . 0 0 "[ . 1 . 2]" 1
818 1 79 ILE MG 1 81 LEU QD . . 5.410 3.579 2.133 4.117 . 0 0 "[ . 1 . 2]" 1
819 1 79 ILE MG 1 98 TRP HD1 . . 6.530 4.771 4.288 5.380 . 0 0 "[ . 1 . 2]" 1
820 1 79 ILE QG 1 98 TRP HZ3 . . 5.200 4.066 3.311 4.606 . 0 0 "[ . 1 . 2]" 1
821 1 79 ILE QG 1 98 TRP HZ2 . . 6.290 4.149 3.153 4.663 . 0 0 "[ . 1 . 2]" 1
822 1 79 ILE QG 1 98 TRP HE3 . . 5.430 3.572 2.959 4.086 . 0 0 "[ . 1 . 2]" 1
823 1 79 ILE MD 1 98 TRP HD1 . . 6.270 3.392 2.135 5.017 . 0 0 "[ . 1 . 2]" 1
824 1 80 TRP H 1 80 TRP HD1 . . 3.200 3.184 2.939 3.319 0.119 18 0 "[ . 1 . 2]" 1
825 1 80 TRP HA 1 80 TRP HD1 . . 3.230 2.720 2.336 2.939 . 0 0 "[ . 1 . 2]" 1
826 1 80 TRP HA 1 81 LEU H . . 2.630 2.156 2.141 2.201 . 0 0 "[ . 1 . 2]" 1
827 1 80 TRP HA 1 89 ASN H . . 3.600 3.561 3.439 3.630 0.030 10 0 "[ . 1 . 2]" 1
828 1 80 TRP HA 1 90 ARG HA . . 2.970 2.775 2.155 2.972 0.002 2 0 "[ . 1 . 2]" 1
829 1 80 TRP HA 1 91 PHE H . . 4.000 3.585 3.371 3.771 . 0 0 "[ . 1 . 2]" 1
830 1 80 TRP HB2 1 81 LEU H . . 5.500 4.421 4.257 4.521 . 0 0 "[ . 1 . 2]" 1
831 1 80 TRP HB3 1 81 LEU H . . 4.170 3.429 3.113 3.649 . 0 0 "[ . 1 . 2]" 1
832 1 80 TRP HB3 1 82 ALA H . . 4.500 4.468 4.371 4.503 0.003 16 0 "[ . 1 . 2]" 1
833 1 80 TRP HB3 1 88 PRO HA . . 4.530 4.403 3.982 4.534 0.004 19 0 "[ . 1 . 2]" 1
834 1 80 TRP HB3 1 89 ASN H . . 4.370 4.278 4.033 4.373 0.003 11 0 "[ . 1 . 2]" 1
835 1 80 TRP HD1 1 90 ARG HA . . 3.320 2.882 1.995 3.314 . 0 0 "[ . 1 . 2]" 1
836 1 80 TRP HD1 1 90 ARG QB . . 4.790 3.603 2.548 4.115 . 0 0 "[ . 1 . 2]" 1
837 1 80 TRP HD1 1 90 ARG QG . . 4.980 3.864 3.151 4.867 . 0 0 "[ . 1 . 2]" 1
838 1 80 TRP HD1 1 91 PHE H . . 3.990 3.931 3.380 4.000 0.010 16 0 "[ . 1 . 2]" 1
839 1 80 TRP HE1 1 90 ARG QB . . 3.890 3.144 1.888 3.744 . 0 0 "[ . 1 . 2]" 1
840 1 80 TRP HE3 1 88 PRO HB2 . . 4.300 3.178 2.480 3.350 . 0 0 "[ . 1 . 2]" 1
841 1 80 TRP HE3 1 88 PRO HB3 . . 2.900 2.833 2.329 2.916 0.016 18 0 "[ . 1 . 2]" 1
842 1 80 TRP HZ2 1 90 ARG QG . . 5.300 3.885 2.926 5.305 0.005 14 0 "[ . 1 . 2]" 1
843 1 81 LEU H 1 81 LEU HG . . 5.500 4.838 4.665 4.955 . 0 0 "[ . 1 . 2]" 1
844 1 81 LEU H 1 89 ASN H . . 2.900 1.864 1.796 1.997 . 0 0 "[ . 1 . 2]" 1
845 1 81 LEU H 1 89 ASN HA . . 4.970 4.038 3.783 4.134 . 0 0 "[ . 1 . 2]" 1
846 1 81 LEU H 1 90 ARG H . . 5.000 4.633 4.247 4.778 . 0 0 "[ . 1 . 2]" 1
847 1 81 LEU H 1 90 ARG HA . . 4.820 4.051 3.557 4.177 . 0 0 "[ . 1 . 2]" 1
848 1 81 LEU H 1 91 PHE QE . . 4.320 4.003 3.632 4.311 . 0 0 "[ . 1 . 2]" 1
849 1 81 LEU HA 1 81 LEU HG . . 3.710 3.549 3.011 3.718 0.008 1 0 "[ . 1 . 2]" 1
850 1 81 LEU HA 1 82 ALA H . . 2.970 2.174 2.165 2.190 . 0 0 "[ . 1 . 2]" 1
851 1 81 LEU HA 1 82 ALA HA . . 5.420 4.429 4.413 4.453 . 0 0 "[ . 1 . 2]" 1
852 1 81 LEU HA 1 88 PRO HA . . 4.600 4.483 4.287 4.604 0.004 4 0 "[ . 1 . 2]" 1
853 1 81 LEU QB 1 82 ALA H . . 6.380 3.914 3.775 3.967 . 0 0 "[ . 1 . 2]" 1
854 1 81 LEU QB 1 82 ALA HA . . 6.380 4.622 4.437 4.838 . 0 0 "[ . 1 . 2]" 1
855 1 81 LEU QB 1 88 PRO HA . . 5.830 4.278 4.156 4.450 . 0 0 "[ . 1 . 2]" 1
856 1 81 LEU QB 1 89 ASN H . . 5.480 2.866 2.552 3.040 . 0 0 "[ . 1 . 2]" 1
857 1 81 LEU QB 1 89 ASN HA . . 5.370 4.436 4.128 4.660 . 0 0 "[ . 1 . 2]" 1
858 1 81 LEU QB 1 91 PHE QD . . 3.720 2.818 2.448 3.013 . 0 0 "[ . 1 . 2]" 1
859 1 81 LEU QB 1 91 PHE QE . . 3.840 2.135 1.798 2.508 . 0 0 "[ . 1 . 2]" 1
860 1 81 LEU QB 1 107 LEU HA . . 5.940 4.394 3.949 4.663 . 0 0 "[ . 1 . 2]" 1
861 1 81 LEU QB 1 107 LEU HG . . 6.390 4.312 3.309 5.714 . 0 0 "[ . 1 . 2]" 1
862 1 81 LEU HG 1 91 PHE QD . . 4.700 4.620 4.203 4.678 . 0 0 "[ . 1 . 2]" 1
863 1 81 LEU HG 1 91 PHE QE . . 3.460 3.200 2.851 3.454 . 0 0 "[ . 1 . 2]" 1
864 1 81 LEU HG 1 107 LEU HA . . 4.520 3.983 3.087 4.407 . 0 0 "[ . 1 . 2]" 1
865 1 81 LEU HG 1 107 LEU HG . . 4.350 3.820 2.146 4.362 0.012 17 0 "[ . 1 . 2]" 1
866 1 81 LEU HG 1 107 LEU MD1 . . 4.760 2.384 1.768 4.272 . 0 0 "[ . 1 . 2]" 1
867 1 81 LEU HG 1 107 LEU MD2 . . 3.760 3.198 1.850 3.767 0.007 20 0 "[ . 1 . 2]" 1
868 1 81 LEU HG 1 110 ILE QG . . 7.000 6.333 5.634 7.000 0.000 3 0 "[ . 1 . 2]" 1
869 1 81 LEU HG 1 111 LEU H . . 6.340 4.931 4.534 5.598 . 0 0 "[ . 1 . 2]" 1
870 1 81 LEU MD1 1 107 LEU HA . . 6.500 4.681 3.175 5.244 . 0 0 "[ . 1 . 2]" 1
871 1 81 LEU MD1 1 110 ILE MG . . 6.740 2.778 1.908 3.626 . 0 0 "[ . 1 . 2]" 1
872 1 81 LEU MD2 1 91 PHE QD . . 6.160 4.835 3.683 5.364 . 0 0 "[ . 1 . 2]" 1
873 1 81 LEU MD2 1 107 LEU HG . . 6.500 3.862 2.167 4.576 . 0 0 "[ . 1 . 2]" 1
874 1 81 LEU MD2 1 111 LEU HG . . 5.650 2.799 1.976 4.157 . 0 0 "[ . 1 . 2]" 1
875 1 82 ALA HA 1 83 SER H . . 2.800 2.164 2.141 2.214 . 0 0 "[ . 1 . 2]" 1
876 1 82 ALA HA 1 87 GLY HA2 . . 4.800 4.449 3.554 4.804 0.004 20 0 "[ . 1 . 2]" 1
877 1 82 ALA HA 1 88 PRO HA . . 3.390 1.998 1.990 2.016 . 0 0 "[ . 1 . 2]" 1
878 1 82 ALA HA 1 88 PRO HB2 . . 4.960 4.526 4.407 4.627 . 0 0 "[ . 1 . 2]" 1
879 1 82 ALA HA 1 88 PRO HB3 . . 3.860 3.481 3.229 3.717 . 0 0 "[ . 1 . 2]" 1
880 1 82 ALA HA 1 88 PRO QG . . 4.800 4.603 4.506 4.707 . 0 0 "[ . 1 . 2]" 1
881 1 82 ALA HA 1 88 PRO HD3 . . 3.930 3.797 3.655 3.930 . 11 0 "[ . 1 . 2]" 1
882 1 82 ALA HA 1 89 ASN H . . 3.740 3.654 3.507 3.756 0.016 1 0 "[ . 1 . 2]" 1
883 1 82 ALA MB 1 88 PRO HA . . 4.330 3.106 2.766 3.392 . 0 0 "[ . 1 . 2]" 1
884 1 82 ALA MB 1 89 ASN H . . 5.940 4.534 4.302 4.741 . 0 0 "[ . 1 . 2]" 1
885 1 83 SER H 1 87 GLY H . . 4.260 2.440 2.055 2.585 . 0 0 "[ . 1 . 2]" 1
886 1 83 SER H 1 87 GLY HA2 . . 4.100 4.076 3.679 4.158 0.058 1 0 "[ . 1 . 2]" 1
887 1 83 SER H 1 88 PRO HA . . 4.500 3.581 3.356 3.848 . 0 0 "[ . 1 . 2]" 1
888 1 83 SER HA 1 84 PRO QG . . 5.430 4.174 4.164 4.185 . 0 0 "[ . 1 . 2]" 1
889 1 83 SER HA 1 84 PRO HD2 . . 4.590 2.657 2.644 2.673 . 0 0 "[ . 1 . 2]" 1
890 1 83 SER HA 1 85 LEU H . . 5.130 3.990 3.965 4.056 . 0 0 "[ . 1 . 2]" 1
891 1 83 SER QB 1 85 LEU H . . 5.230 2.169 2.083 3.284 . 0 0 "[ . 1 . 2]" 1
892 1 83 SER QB 1 87 GLY H . . 6.380 2.875 1.873 3.540 . 0 0 "[ . 1 . 2]" 1
893 1 83 SER QB 1 110 ILE MG . . 7.430 5.235 4.352 5.773 . 0 0 "[ . 1 . 2]" 1
894 1 84 PRO HA 1 85 LEU H . . 3.350 3.333 3.288 3.405 0.055 11 0 "[ . 1 . 2]" 1
895 1 84 PRO HB3 1 85 LEU H . . 4.790 4.469 4.383 4.514 . 0 0 "[ . 1 . 2]" 1
896 1 84 PRO HD2 1 85 LEU H . . 5.500 2.953 2.802 3.052 . 0 0 "[ . 1 . 2]" 1
897 1 84 PRO HD3 1 85 LEU H . . 5.500 4.004 3.925 4.057 . 0 0 "[ . 1 . 2]" 1
898 1 84 PRO QD 1 85 LEU H . . 4.880 2.880 2.745 2.969 . 0 0 "[ . 1 . 2]" 1
899 1 85 LEU H 1 85 LEU HG . . 5.500 3.270 2.001 4.762 . 0 0 "[ . 1 . 2]" 1
900 1 85 LEU H 1 86 SER H . . 2.900 2.420 1.842 2.744 . 0 0 "[ . 1 . 2]" 1
901 1 85 LEU H 1 87 GLY H . . 3.840 3.780 3.294 3.861 0.021 20 0 "[ . 1 . 2]" 1
902 1 85 LEU HA 1 85 LEU HG . . 4.170 3.166 2.136 4.265 0.095 16 0 "[ . 1 . 2]" 1
903 1 85 LEU HA 1 86 SER H . . 3.580 3.022 2.666 3.566 . 0 0 "[ . 1 . 2]" 1
904 1 85 LEU HA 1 86 SER HA . . 5.240 4.827 4.357 4.961 . 0 0 "[ . 1 . 2]" 1
905 1 85 LEU QB 1 86 SER H . . 6.380 3.649 2.226 4.017 . 0 0 "[ . 1 . 2]" 1
906 1 85 LEU HG 1 86 SER H . . 5.500 4.409 2.034 5.335 . 0 0 "[ . 1 . 2]" 1
907 1 85 LEU MD1 1 86 SER H . . 5.400 4.402 2.205 5.369 . 0 0 "[ . 1 . 2]" 1
908 1 86 SER H 1 87 GLY H . . 3.330 2.898 2.144 3.336 0.006 18 0 "[ . 1 . 2]" 1
909 1 86 SER H 1 87 GLY HA2 . . 5.500 5.186 3.942 5.494 . 0 0 "[ . 1 . 2]" 1
910 1 86 SER HA 1 87 GLY H . . 3.580 2.632 2.412 3.569 . 0 0 "[ . 1 . 2]" 1
911 1 86 SER QB 1 87 GLY H . . 4.800 3.705 1.894 4.071 . 0 0 "[ . 1 . 2]" 1
912 1 87 GLY HA3 1 88 PRO HA . . 4.900 4.845 4.673 4.879 . 0 0 "[ . 1 . 2]" 1
913 1 88 PRO HA 1 89 ASN H . . 3.080 2.168 2.161 2.195 . 0 0 "[ . 1 . 2]" 1
914 1 88 PRO HB2 1 89 ASN H . . 4.330 3.417 3.267 3.467 . 0 0 "[ . 1 . 2]" 1
915 1 88 PRO HB3 1 89 ASN H . . 3.920 3.923 3.828 3.957 0.037 18 0 "[ . 1 . 2]" 1
916 1 89 ASN H 1 91 PHE QE . . 5.100 4.490 4.105 4.792 . 0 0 "[ . 1 . 2]" 1
917 1 89 ASN HA 1 90 ARG H . . 3.020 2.145 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
918 1 89 ASN QB 1 91 PHE QD . . 6.500 3.015 2.492 3.745 . 0 0 "[ . 1 . 2]" 1
919 1 89 ASN QB 1 91 PHE QE . . 5.380 2.106 1.910 2.621 . 0 0 "[ . 1 . 2]" 1
920 1 90 ARG H 1 91 PHE H . . 5.500 4.329 4.170 4.589 . 0 0 "[ . 1 . 2]" 1
921 1 90 ARG HA 1 91 PHE H . . 3.090 2.167 2.139 2.225 . 0 0 "[ . 1 . 2]" 1
922 1 90 ARG HA 1 91 PHE QD . . 4.670 3.993 3.420 4.421 . 0 0 "[ . 1 . 2]" 1
923 1 91 PHE H 1 91 PHE HB2 . . 3.730 2.360 2.280 2.472 . 0 0 "[ . 1 . 2]" 1
924 1 91 PHE H 1 91 PHE HB3 . . 4.070 3.604 3.553 3.667 . 0 0 "[ . 1 . 2]" 1
925 1 91 PHE H 1 91 PHE QD . . 2.900 2.811 2.405 2.892 . 0 0 "[ . 1 . 2]" 1
926 1 91 PHE HA 1 92 ASP H . . 2.770 2.202 2.158 2.250 . 0 0 "[ . 1 . 2]" 1
927 1 91 PHE HA 1 100 SER H . . 5.500 4.284 3.789 4.915 . 0 0 "[ . 1 . 2]" 1
928 1 91 PHE HA 1 100 SER HA . . 3.300 2.874 2.490 3.288 . 0 0 "[ . 1 . 2]" 1
929 1 91 PHE HB2 1 91 PHE QD . . 2.700 2.381 2.334 2.447 . 0 0 "[ . 1 . 2]" 1
930 1 91 PHE HB2 1 92 ASP H . . 4.420 4.177 4.033 4.305 . 0 0 "[ . 1 . 2]" 1
931 1 91 PHE HB3 1 92 ASP H . . 5.070 3.049 2.851 3.269 . 0 0 "[ . 1 . 2]" 1
932 1 91 PHE HB3 1 98 TRP HA . . 3.990 3.474 3.110 3.784 . 0 0 "[ . 1 . 2]" 1
933 1 91 PHE HB3 1 98 TRP HE3 . . 3.760 3.699 2.952 3.786 0.026 17 0 "[ . 1 . 2]" 1
934 1 91 PHE HB3 1 107 LEU H . . 5.500 4.794 4.425 5.214 . 0 0 "[ . 1 . 2]" 1
935 1 91 PHE QD 1 107 LEU HA . . 4.930 4.093 3.789 4.369 . 0 0 "[ . 1 . 2]" 1
936 1 91 PHE QD 1 92 ASP H . . 3.870 3.646 3.443 3.829 . 0 0 "[ . 1 . 2]" 1
937 1 91 PHE QD 1 98 TRP HA . . 4.600 4.511 4.202 4.563 . 0 0 "[ . 1 . 2]" 1
938 1 91 PHE QD 1 99 VAL H . . 5.500 3.559 3.290 3.966 . 0 0 "[ . 1 . 2]" 1
939 1 91 PHE QD 1 99 VAL HA . . 3.200 2.094 1.995 2.736 . 0 0 "[ . 1 . 2]" 1
940 1 91 PHE QD 1 99 VAL HB . . 4.980 4.218 4.080 4.750 . 0 0 "[ . 1 . 2]" 1
941 1 91 PHE QD 1 100 SER H . . 3.300 2.497 2.145 3.076 . 0 0 "[ . 1 . 2]" 1
942 1 91 PHE QD 1 100 SER HA . . 3.970 3.656 3.455 3.936 . 0 0 "[ . 1 . 2]" 1
943 1 91 PHE QD 1 106 LYS HA . . 3.940 3.409 3.058 3.806 . 0 0 "[ . 1 . 2]" 1
944 1 91 PHE QD 1 107 LEU H . . 3.900 3.670 3.380 3.871 . 0 0 "[ . 1 . 2]" 1
945 1 91 PHE QE 1 107 LEU HA . . 3.540 3.031 2.720 3.343 . 0 0 "[ . 1 . 2]" 1
946 1 91 PHE QE 1 107 LEU MD1 . . 4.990 3.211 2.097 4.783 . 0 0 "[ . 1 . 2]" 1
947 1 91 PHE QE 1 105 THR HB . . 4.950 3.308 2.950 4.203 . 0 0 "[ . 1 . 2]" 1
948 1 91 PHE QE 1 106 LYS HA . . 3.380 2.876 2.483 3.369 . 0 0 "[ . 1 . 2]" 1
949 1 92 ASP H 1 92 ASP HB2 . . 4.040 2.756 2.278 3.727 . 0 0 "[ . 1 . 2]" 1
950 1 92 ASP H 1 92 ASP HB3 . . 3.330 2.755 2.248 3.278 . 0 0 "[ . 1 . 2]" 1
951 1 92 ASP H 1 93 LEU H . . 5.500 4.517 4.410 4.558 . 0 0 "[ . 1 . 2]" 1
952 1 92 ASP H 1 98 TRP HA . . 4.930 4.192 3.890 4.594 . 0 0 "[ . 1 . 2]" 1
953 1 92 ASP H 1 99 VAL H . . 3.640 3.186 2.645 3.641 0.001 15 0 "[ . 1 . 2]" 1
954 1 92 ASP H 1 100 SER HA . . 4.040 3.096 2.833 3.355 . 0 0 "[ . 1 . 2]" 1
955 1 92 ASP HA 1 93 LEU H . . 2.830 2.252 2.145 2.408 . 0 0 "[ . 1 . 2]" 1
956 1 92 ASP HA 1 98 TRP HA . . 5.250 4.638 4.423 4.988 . 0 0 "[ . 1 . 2]" 1
957 1 92 ASP HA 1 98 TRP HE3 . . 3.330 3.235 2.954 3.350 0.020 19 0 "[ . 1 . 2]" 1
958 1 92 ASP HB2 1 93 LEU H . . 4.540 4.049 2.884 4.350 . 0 0 "[ . 1 . 2]" 1
959 1 92 ASP HB3 1 93 LEU H . . 4.790 3.727 3.176 4.453 . 0 0 "[ . 1 . 2]" 1
960 1 93 LEU H 1 93 LEU HG . . 3.840 3.289 1.900 3.867 0.027 18 0 "[ . 1 . 2]" 1
961 1 93 LEU H 1 94 LEU H . . 5.500 4.368 4.179 4.578 . 0 0 "[ . 1 . 2]" 1
962 1 93 LEU H 1 98 TRP HE3 . . 4.190 3.183 2.429 3.932 . 0 0 "[ . 1 . 2]" 1
963 1 93 LEU HA 1 94 LEU H . . 2.930 2.171 2.141 2.216 . 0 0 "[ . 1 . 2]" 1
964 1 93 LEU HA 1 97 GLU H . . 5.070 4.243 3.788 4.941 . 0 0 "[ . 1 . 2]" 1
965 1 93 LEU HA 1 98 TRP HA . . 3.100 2.442 1.997 2.811 . 0 0 "[ . 1 . 2]" 1
966 1 93 LEU HA 1 99 VAL H . . 5.500 3.823 3.610 4.120 . 0 0 "[ . 1 . 2]" 1
967 1 93 LEU QB 1 98 TRP HA . . 6.380 4.220 3.734 4.669 . 0 0 "[ . 1 . 2]" 1
968 1 94 LEU H 1 94 LEU HG . . 5.500 4.641 4.032 4.945 . 0 0 "[ . 1 . 2]" 1
969 1 94 LEU H 1 95 ASN H . . 5.380 4.162 3.956 4.360 . 0 0 "[ . 1 . 2]" 1
970 1 94 LEU H 1 96 GLY H . . 4.820 4.099 3.304 4.768 . 0 0 "[ . 1 . 2]" 1
971 1 94 LEU H 1 97 GLU H . . 3.390 2.914 2.179 3.392 0.002 15 0 "[ . 1 . 2]" 1
972 1 94 LEU H 1 97 GLU HA . . 5.500 4.432 4.008 4.770 . 0 0 "[ . 1 . 2]" 1
973 1 94 LEU H 1 98 TRP HA . . 4.540 2.891 2.550 3.199 . 0 0 "[ . 1 . 2]" 1
974 1 94 LEU HA 1 95 ASN H . . 2.800 2.157 2.140 2.185 . 0 0 "[ . 1 . 2]" 1
975 1 94 LEU HA 1 97 GLU H . . 5.440 4.274 3.971 4.715 . 0 0 "[ . 1 . 2]" 1
976 1 94 LEU QB 1 95 ASN H . . 6.380 3.673 3.364 3.929 . 0 0 "[ . 1 . 2]" 1
977 1 94 LEU QB 1 97 GLU H . . 6.380 3.903 3.096 4.322 . 0 0 "[ . 1 . 2]" 1
978 1 94 LEU QB 1 99 VAL HB . . 6.380 4.385 3.663 5.110 . 0 0 "[ . 1 . 2]" 1
979 1 94 LEU QB 1 99 VAL MG1 . . 7.400 2.439 1.746 3.656 . 0 0 "[ . 1 . 2]" 1
980 1 94 LEU QB 1 99 VAL MG2 . . 5.110 2.257 1.734 3.492 . 0 0 "[ . 1 . 2]" 1
981 1 94 LEU HG 1 95 ASN H . . 5.500 4.225 3.130 5.385 . 0 0 "[ . 1 . 2]" 1
982 1 94 LEU HG 1 99 VAL MG2 . . 5.230 3.499 1.925 5.227 . 0 0 "[ . 1 . 2]" 1
983 1 94 LEU MD1 1 99 VAL MG2 . . 7.560 3.135 1.753 4.178 . 0 0 "[ . 1 . 2]" 1
984 1 94 LEU MD2 1 99 VAL MG2 . . 7.560 2.842 1.805 4.149 . 0 0 "[ . 1 . 2]" 1
985 1 94 LEU QD 1 95 ASN H . . 8.070 3.087 1.955 3.981 . 0 0 "[ . 1 . 2]" 1
986 1 94 LEU QD 1 99 VAL MG2 . . 6.710 2.437 1.751 3.077 . 0 0 "[ . 1 . 2]" 1
987 1 95 ASN H 1 95 ASN HA . . 2.770 2.283 2.274 2.310 . 0 0 "[ . 1 . 2]" 1
988 1 95 ASN H 1 96 GLY H . . 3.450 2.860 2.748 3.423 . 0 0 "[ . 1 . 2]" 1
989 1 95 ASN H 1 97 GLU H . . 5.160 4.011 3.903 4.188 . 0 0 "[ . 1 . 2]" 1
990 1 95 ASN HA 1 95 ASN HB3 . . 2.490 2.394 2.275 2.488 . 0 0 "[ . 1 . 2]" 1
991 1 95 ASN HA 1 96 GLY H . . 2.770 2.750 2.351 2.813 0.043 1 0 "[ . 1 . 2]" 1
992 1 95 ASN HA 1 97 GLU H . . 5.500 4.274 3.943 4.509 . 0 0 "[ . 1 . 2]" 1
993 1 95 ASN HB2 1 96 GLY H . . 5.440 4.268 4.206 4.482 . 0 0 "[ . 1 . 2]" 1
994 1 95 ASN HB3 1 96 GLY H . . 4.690 4.501 4.182 4.636 . 0 0 "[ . 1 . 2]" 1
995 1 96 GLY H 1 97 GLU H . . 3.050 2.604 2.199 2.856 . 0 0 "[ . 1 . 2]" 1
996 1 96 GLY HA2 1 97 GLU H . . 3.550 3.160 3.005 3.461 . 0 0 "[ . 1 . 2]" 1
997 1 96 GLY HA3 1 97 GLU H . . 3.550 3.358 3.026 3.472 . 0 0 "[ . 1 . 2]" 1
998 1 97 GLU H 1 97 GLU QB . . 3.870 2.594 2.223 2.817 . 0 0 "[ . 1 . 2]" 1
999 1 97 GLU H 1 98 TRP H . . 4.400 4.248 4.058 4.404 0.004 20 0 "[ . 1 . 2]" 1
1000 1 97 GLU H 1 98 TRP HA . . 5.470 4.746 4.562 5.064 . 0 0 "[ . 1 . 2]" 1
1001 1 97 GLU H 1 99 VAL MG1 . . 6.530 4.392 3.547 5.280 . 0 0 "[ . 1 . 2]" 1
1002 1 97 GLU HA 1 98 TRP H . . 3.450 2.167 2.138 2.260 . 0 0 "[ . 1 . 2]" 1
1003 1 97 GLU QB 1 98 TRP H . . 4.550 3.365 2.836 3.847 . 0 0 "[ . 1 . 2]" 1
1004 1 97 GLU QB 1 99 VAL MG1 . . 6.500 2.776 2.382 3.364 . 0 0 "[ . 1 . 2]" 1
1005 1 97 GLU QG 1 98 TRP H . . 5.540 3.579 2.163 4.496 . 0 0 "[ . 1 . 2]" 1
1006 1 97 GLU QG 1 98 TRP QB . . 7.250 5.311 3.649 6.311 . 0 0 "[ . 1 . 2]" 1
1007 1 97 GLU QG 1 99 VAL MG1 . . 7.400 3.813 1.837 4.691 . 0 0 "[ . 1 . 2]" 1
1008 1 98 TRP H 1 99 VAL H . . 5.500 4.363 4.217 4.542 . 0 0 "[ . 1 . 2]" 1
1009 1 98 TRP H 1 107 LEU H . . 4.990 4.943 4.435 5.002 0.012 15 0 "[ . 1 . 2]" 1
1010 1 98 TRP HA 1 98 TRP HD1 . . 4.400 4.323 4.120 4.416 0.016 18 0 "[ . 1 . 2]" 1
1011 1 98 TRP HA 1 99 VAL H . . 2.990 2.170 2.141 2.206 . 0 0 "[ . 1 . 2]" 1
1012 1 98 TRP QB 1 99 VAL H . . 6.380 3.462 3.141 3.665 . 0 0 "[ . 1 . 2]" 1
1013 1 98 TRP HD1 1 107 LEU MD2 . . 6.500 4.755 3.719 6.506 0.006 1 0 "[ . 1 . 2]" 1
1014 1 99 VAL H 1 99 VAL HB . . 4.010 3.815 3.667 3.943 . 0 0 "[ . 1 . 2]" 1
1015 1 99 VAL H 1 100 SER H . . 5.500 4.429 4.201 4.560 . 0 0 "[ . 1 . 2]" 1
1016 1 99 VAL HA 1 100 SER H . . 3.080 2.258 2.149 2.391 . 0 0 "[ . 1 . 2]" 1
1017 1 99 VAL HA 1 106 LYS HA . . 3.050 2.227 1.998 2.566 . 0 0 "[ . 1 . 2]" 1
1018 1 99 VAL HA 1 106 LYS QB . . 6.380 4.069 3.485 4.709 . 0 0 "[ . 1 . 2]" 1
1019 1 99 VAL HA 1 106 LYS QG . . 6.380 4.020 2.618 5.283 . 0 0 "[ . 1 . 2]" 1
1020 1 99 VAL HA 1 107 LEU H . . 3.900 3.590 3.165 3.898 . 0 0 "[ . 1 . 2]" 1
1021 1 99 VAL HB 1 100 SER H . . 3.610 2.941 2.547 3.308 . 0 0 "[ . 1 . 2]" 1
1022 1 99 VAL HB 1 106 LYS QB . . 5.600 4.532 3.250 5.588 . 0 0 "[ . 1 . 2]" 1
1023 1 99 VAL HB 1 106 LYS QD . . 6.250 4.486 2.404 6.252 0.002 17 0 "[ . 1 . 2]" 1
1024 1 99 VAL MG1 1 100 SER H . . 6.400 4.026 3.531 4.275 . 0 0 "[ . 1 . 2]" 1
1025 1 99 VAL MG1 1 106 LYS QB . . 7.400 3.394 2.165 4.673 . 0 0 "[ . 1 . 2]" 1
1026 1 99 VAL MG1 1 106 LYS QG . . 7.400 2.939 1.703 4.544 . 0 0 "[ . 1 . 2]" 1
1027 1 99 VAL MG1 1 106 LYS QD . . 7.400 3.270 1.886 5.482 . 0 0 "[ . 1 . 2]" 1
1028 1 99 VAL MG2 1 100 SER H . . 6.280 3.262 2.113 4.068 . 0 0 "[ . 1 . 2]" 1
1029 1 99 VAL MG2 1 104 GLY H . . 6.530 4.039 2.216 5.572 . 0 0 "[ . 1 . 2]" 1
1030 1 100 SER H 1 100 SER HB2 . . 3.330 2.790 2.329 3.217 . 0 0 "[ . 1 . 2]" 1
1031 1 100 SER H 1 100 SER HB3 . . 3.420 2.728 2.229 3.342 . 0 0 "[ . 1 . 2]" 1
1032 1 100 SER H 1 101 LEU H . . 5.500 4.484 4.404 4.534 . 0 0 "[ . 1 . 2]" 1
1033 1 100 SER H 1 104 GLY H . . 5.470 4.865 3.777 5.472 0.002 4 0 "[ . 1 . 2]" 1
1034 1 100 SER H 1 105 THR H . . 3.640 3.012 2.524 3.443 . 0 0 "[ . 1 . 2]" 1
1035 1 100 SER H 1 105 THR HB . . 5.500 4.183 3.867 4.601 . 0 0 "[ . 1 . 2]" 1
1036 1 100 SER H 1 106 LYS HA . . 3.890 3.464 3.024 3.889 . 0 0 "[ . 1 . 2]" 1
1037 1 100 SER HA 1 101 LEU H . . 2.990 2.217 2.139 2.339 . 0 0 "[ . 1 . 2]" 1
1038 1 100 SER HB2 1 105 THR H . . 5.500 4.806 3.751 5.502 0.002 18 0 "[ . 1 . 2]" 1
1039 1 100 SER HB3 1 101 LEU H . . 5.500 3.850 3.306 4.469 . 0 0 "[ . 1 . 2]" 1
1040 1 100 SER HB3 1 105 THR H . . 4.450 3.757 2.993 4.468 0.018 14 0 "[ . 1 . 2]" 1
1041 1 101 LEU H 1 101 LEU HB2 . . 3.300 2.703 2.150 3.229 . 0 0 "[ . 1 . 2]" 1
1042 1 101 LEU H 1 101 LEU HB3 . . 4.110 3.284 2.347 3.860 . 0 0 "[ . 1 . 2]" 1
1043 1 101 LEU H 1 101 LEU HG . . 5.500 4.822 4.376 5.343 . 0 0 "[ . 1 . 2]" 1
1044 1 101 LEU H 1 102 ARG H . . 3.610 2.890 2.494 3.659 0.049 14 0 "[ . 1 . 2]" 1
1045 1 101 LEU HA 1 101 LEU HB2 . . 2.650 2.585 2.372 2.649 . 0 0 "[ . 1 . 2]" 1
1046 1 101 LEU HB3 1 101 LEU HG . . 2.400 2.362 2.282 2.394 . 0 0 "[ . 1 . 2]" 1
1047 1 101 LEU MD1 1 104 GLY HA2 . . 8.430 4.866 3.528 6.533 . 0 0 "[ . 1 . 2]" 1
1048 1 101 LEU MD1 1 104 GLY HA3 . . 8.430 4.811 3.372 7.343 . 0 0 "[ . 1 . 2]" 1
1049 1 101 LEU MD2 1 104 GLY HA2 . . 8.430 5.572 3.611 6.870 . 0 0 "[ . 1 . 2]" 1
1050 1 101 LEU MD2 1 104 GLY HA3 . . 8.430 5.560 3.040 7.789 . 0 0 "[ . 1 . 2]" 1
1051 1 101 LEU QD 1 102 ARG H . . 7.880 3.617 2.184 4.139 . 0 0 "[ . 1 . 2]" 1
1052 1 101 LEU QD 1 104 GLY QA . . 6.660 3.717 2.961 5.046 . 0 0 "[ . 1 . 2]" 1
1053 1 102 ARG H 1 102 ARG HB3 . . 2.970 2.814 2.396 3.020 0.050 12 0 "[ . 1 . 2]" 1
1054 1 102 ARG H 1 102 ARG QG . . 5.140 3.727 2.997 4.210 . 0 0 "[ . 1 . 2]" 1
1055 1 102 ARG H 1 103 ASN H . . 5.470 3.666 2.900 4.230 . 0 0 "[ . 1 . 2]" 1
1056 1 102 ARG HA 1 102 ARG HB2 . . 2.900 2.477 2.278 2.603 . 0 0 "[ . 1 . 2]" 1
1057 1 103 ASN H 1 104 GLY H . . 3.480 2.759 1.799 3.299 . 0 0 "[ . 1 . 2]" 1
1058 1 103 ASN HB2 1 104 GLY H . . 5.500 4.335 3.945 4.660 . 0 0 "[ . 1 . 2]" 1
1059 1 104 GLY H 1 105 THR H . . 2.990 2.811 2.252 2.994 0.004 15 0 "[ . 1 . 2]" 1
1060 1 105 THR H 1 105 THR HB . . 3.560 3.550 3.461 3.571 0.011 19 0 "[ . 1 . 2]" 1
1061 1 105 THR H 1 106 LYS H . . 5.500 4.493 4.342 4.561 . 0 0 "[ . 1 . 2]" 1
1062 1 105 THR HA 1 105 THR MG . . 3.430 2.123 2.002 2.208 . 0 0 "[ . 1 . 2]" 1
1063 1 105 THR HA 1 106 LYS H . . 2.400 2.298 2.147 2.338 . 0 0 "[ . 1 . 2]" 1
1064 1 105 THR HA 1 106 LYS QD . . 6.380 4.380 2.371 6.166 . 0 0 "[ . 1 . 2]" 1
1065 1 105 THR HB 1 106 LYS H . . 3.550 2.807 2.612 3.427 . 0 0 "[ . 1 . 2]" 1
1066 1 105 THR HB 1 107 LEU QD . . 7.990 6.274 5.816 7.014 . 0 0 "[ . 1 . 2]" 1
1067 1 105 THR HB 1 110 ILE HA . . 5.480 5.376 5.063 5.487 0.007 19 0 "[ . 1 . 2]" 1
1068 1 105 THR HB 1 110 ILE HB . . 4.180 3.999 3.754 4.181 0.001 11 0 "[ . 1 . 2]" 1
1069 1 105 THR MG 1 106 LYS H . . 4.450 3.175 2.938 3.543 . 0 0 "[ . 1 . 2]" 1
1070 1 106 LYS H 1 106 LYS QD . . 4.920 3.418 1.894 4.773 . 0 0 "[ . 1 . 2]" 1
1071 1 106 LYS H 1 106 LYS QE . . 6.350 4.370 3.714 5.697 . 0 0 "[ . 1 . 2]" 1
1072 1 106 LYS H 1 107 LEU H . . 4.940 4.536 4.446 4.612 . 0 0 "[ . 1 . 2]" 1
1073 1 106 LYS H 1 107 LEU QD . . 8.100 6.280 5.874 6.723 . 0 0 "[ . 1 . 2]" 1
1074 1 106 LYS HA 1 107 LEU H . . 3.020 2.358 2.208 2.512 . 0 0 "[ . 1 . 2]" 1
1075 1 106 LYS HA 1 107 LEU QD . . 7.630 5.191 4.932 5.356 . 0 0 "[ . 1 . 2]" 1
1076 1 106 LYS QB 1 107 LEU H . . 5.820 2.645 2.300 3.005 . 0 0 "[ . 1 . 2]" 1
1077 1 106 LYS QG 1 107 LEU H . . 6.000 3.814 3.031 4.633 . 0 0 "[ . 1 . 2]" 1
1078 1 107 LEU H 1 107 LEU HG . . 4.730 4.461 4.061 4.717 . 0 0 "[ . 1 . 2]" 1
1079 1 107 LEU H 1 108 THR H . . 3.450 3.090 2.800 3.282 . 0 0 "[ . 1 . 2]" 1
1080 1 107 LEU H 1 108 THR HB . . 5.500 5.390 5.098 5.502 0.002 6 0 "[ . 1 . 2]" 1
1081 1 107 LEU H 1 109 ASP H . . 5.500 3.622 3.333 3.862 . 0 0 "[ . 1 . 2]" 1
1082 1 107 LEU HA 1 107 LEU HG . . 3.950 3.295 2.579 3.774 . 0 0 "[ . 1 . 2]" 1
1083 1 107 LEU HA 1 109 ASP H . . 4.420 3.907 3.829 4.073 . 0 0 "[ . 1 . 2]" 1
1084 1 107 LEU HA 1 110 ILE H . . 5.500 3.447 3.307 3.602 . 0 0 "[ . 1 . 2]" 1
1085 1 107 LEU HA 1 111 LEU H . . 4.120 4.005 3.926 4.123 0.003 18 0 "[ . 1 . 2]" 1
1086 1 107 LEU QB 1 109 ASP H . . 4.980 4.045 3.944 4.251 . 0 0 "[ . 1 . 2]" 1
1087 1 107 LEU QB 1 110 ILE H . . 5.100 4.899 4.823 4.962 . 0 0 "[ . 1 . 2]" 1
1088 1 107 LEU QB 1 110 ILE HB . . 5.130 5.118 4.941 5.138 0.008 10 0 "[ . 1 . 2]" 1
1089 1 107 LEU QB 1 111 LEU H . . 5.550 5.200 5.073 5.326 . 0 0 "[ . 1 . 2]" 1
1090 1 107 LEU MD1 1 110 ILE HB . . 6.530 4.588 3.685 6.184 . 0 0 "[ . 1 . 2]" 1
1091 1 107 LEU MD2 1 110 ILE HB . . 6.530 5.568 3.761 6.382 . 0 0 "[ . 1 . 2]" 1
1092 1 107 LEU QD 1 110 ILE HB . . 5.930 4.104 3.655 5.149 . 0 0 "[ . 1 . 2]" 1
1093 1 107 LEU QD 1 111 LEU HA . . 8.290 4.554 3.831 5.589 . 0 0 "[ . 1 . 2]" 1
1094 1 108 THR H 1 108 THR HA . . 2.830 2.720 2.689 2.780 . 0 0 "[ . 1 . 2]" 1
1095 1 108 THR H 1 108 THR HB . . 4.000 2.452 2.367 2.655 . 0 0 "[ . 1 . 2]" 1
1096 1 108 THR H 1 109 ASP H . . 4.400 2.836 2.706 2.902 . 0 0 "[ . 1 . 2]" 1
1097 1 108 THR H 1 110 ILE H . . 5.500 4.570 4.461 4.616 . 0 0 "[ . 1 . 2]" 1
1098 1 108 THR HA 1 108 THR HB . . 2.520 2.477 2.371 2.523 0.003 6 0 "[ . 1 . 2]" 1
1099 1 108 THR HA 1 110 ILE H . . 4.600 4.582 4.524 4.606 0.006 7 0 "[ . 1 . 2]" 1
1100 1 108 THR HA 1 111 LEU H . . 4.910 3.506 3.457 3.534 . 0 0 "[ . 1 . 2]" 1
1101 1 108 THR HA 1 111 LEU HB2 . . 3.700 3.084 2.879 3.619 . 0 0 "[ . 1 . 2]" 1
1102 1 108 THR HA 1 111 LEU HB3 . . 5.500 2.968 2.515 3.090 . 0 0 "[ . 1 . 2]" 1
1103 1 108 THR HA 1 112 THR H . . 5.500 3.623 3.532 3.754 . 0 0 "[ . 1 . 2]" 1
1104 1 108 THR HB 1 109 ASP H . . 5.500 4.090 4.012 4.239 . 0 0 "[ . 1 . 2]" 1
1105 1 108 THR MG 1 109 ASP H . . 6.530 2.279 2.034 2.509 . 0 0 "[ . 1 . 2]" 1
1106 1 108 THR MG 1 110 ILE H . . 6.090 4.481 4.327 4.640 . 0 0 "[ . 1 . 2]" 1
1107 1 109 ASP H 1 109 ASP HB2 . . 3.140 2.127 2.110 2.142 . 0 0 "[ . 1 . 2]" 1
1108 1 109 ASP H 1 109 ASP HB3 . . 3.110 3.153 3.144 3.171 0.061 16 0 "[ . 1 . 2]" 1
1109 1 109 ASP H 1 110 ILE H . . 2.990 2.539 2.506 2.568 . 0 0 "[ . 1 . 2]" 1
1110 1 109 ASP H 1 110 ILE HB . . 4.450 4.456 4.427 4.466 0.016 16 0 "[ . 1 . 2]" 1
1111 1 109 ASP H 1 110 ILE QG . . 6.380 5.597 5.004 6.188 . 0 0 "[ . 1 . 2]" 1
1112 1 109 ASP H 1 111 LEU H . . 4.400 3.741 3.688 3.814 . 0 0 "[ . 1 . 2]" 1
1113 1 109 ASP HA 1 110 ILE HA . . 5.500 4.708 4.702 4.717 . 0 0 "[ . 1 . 2]" 1
1114 1 109 ASP HA 1 111 LEU H . . 4.400 4.404 4.396 4.414 0.014 6 0 "[ . 1 . 2]" 1
1115 1 109 ASP HA 1 112 THR H . . 3.890 3.725 3.696 3.746 . 0 0 "[ . 1 . 2]" 1
1116 1 109 ASP HA 1 112 THR HB . . 5.130 3.332 2.982 4.099 . 0 0 "[ . 1 . 2]" 1
1117 1 109 ASP HA 1 113 GLU H . . 4.940 3.947 3.857 3.986 . 0 0 "[ . 1 . 2]" 1
1118 1 109 ASP HB2 1 110 ILE H . . 3.170 3.207 3.199 3.221 0.051 16 0 "[ . 1 . 2]" 1
1119 1 109 ASP HB3 1 110 ILE H . . 3.210 2.726 2.693 2.802 . 0 0 "[ . 1 . 2]" 1
1120 1 110 ILE H 1 110 ILE HB . . 2.740 2.152 2.125 2.197 . 0 0 "[ . 1 . 2]" 1
1121 1 110 ILE H 1 110 ILE MG . . 4.140 3.405 3.020 3.560 . 0 0 "[ . 1 . 2]" 1
1122 1 110 ILE H 1 111 LEU H . . 2.400 2.468 2.455 2.483 0.083 18 0 "[ . 1 . 2]" 1
1123 1 110 ILE H 1 112 THR H . . 4.160 4.078 4.028 4.137 . 0 0 "[ . 1 . 2]" 1
1124 1 110 ILE HA 1 112 THR H . . 4.440 4.454 4.443 4.475 0.035 18 0 "[ . 1 . 2]" 1
1125 1 110 ILE HA 1 113 GLU H . . 3.830 3.592 3.556 3.671 . 0 0 "[ . 1 . 2]" 1
1126 1 110 ILE HA 1 113 GLU QB . . 4.270 2.856 2.694 3.565 . 0 0 "[ . 1 . 2]" 1
1127 1 110 ILE HA 1 114 GLU H . . 3.600 3.626 3.608 3.660 0.060 19 0 "[ . 1 . 2]" 1
1128 1 110 ILE HB 1 111 LEU H . . 3.860 3.162 3.031 3.427 . 0 0 "[ . 1 . 2]" 1
1129 1 110 ILE HB 1 111 LEU HA . . 5.500 4.954 4.789 5.270 . 0 0 "[ . 1 . 2]" 1
1130 1 110 ILE MG 1 111 LEU H . . 4.360 2.762 2.313 3.027 . 0 0 "[ . 1 . 2]" 1
1131 1 110 ILE MG 1 113 GLU QB . . 7.400 4.545 4.351 5.257 . 0 0 "[ . 1 . 2]" 1
1132 1 110 ILE MG 1 114 GLU H . . 4.960 3.926 3.803 4.183 . 0 0 "[ . 1 . 2]" 1
1133 1 110 ILE MG 1 114 GLU QB . . 5.920 2.836 2.622 3.386 . 0 0 "[ . 1 . 2]" 1
1134 1 110 ILE MG 1 114 GLU QG . . 7.400 3.563 2.327 4.252 . 0 0 "[ . 1 . 2]" 1
1135 1 111 LEU H 1 111 LEU HA . . 2.990 2.859 2.847 2.870 . 0 0 "[ . 1 . 2]" 1
1136 1 111 LEU H 1 111 LEU HB2 . . 2.520 2.183 2.123 2.522 0.002 15 0 "[ . 1 . 2]" 1
1137 1 111 LEU H 1 111 LEU HB3 . . 3.020 2.959 2.526 3.034 0.014 14 0 "[ . 1 . 2]" 1
1138 1 111 LEU H 1 112 THR H . . 2.650 2.512 2.459 2.569 . 0 0 "[ . 1 . 2]" 1
1139 1 111 LEU H 1 112 THR HB . . 5.220 4.697 4.541 4.938 . 0 0 "[ . 1 . 2]" 1
1140 1 111 LEU H 1 113 GLU H . . 5.500 3.996 3.964 4.040 . 0 0 "[ . 1 . 2]" 1
1141 1 111 LEU HA 1 111 LEU HB2 . . 2.800 2.702 2.476 2.742 . 0 0 "[ . 1 . 2]" 1
1142 1 111 LEU HA 1 111 LEU HB3 . . 2.930 2.940 2.924 3.015 0.085 18 0 "[ . 1 . 2]" 1
1143 1 111 LEU HA 1 111 LEU HG . . 3.950 3.642 3.604 3.678 . 0 0 "[ . 1 . 2]" 1
1144 1 111 LEU HA 1 113 GLU H . . 4.600 4.559 4.509 4.604 0.004 18 0 "[ . 1 . 2]" 1
1145 1 111 LEU HA 1 114 GLU H . . 3.600 3.648 3.633 3.656 0.056 20 0 "[ . 1 . 2]" 1
1146 1 111 LEU HA 1 114 GLU QB . . 3.930 2.663 2.620 2.744 . 0 0 "[ . 1 . 2]" 1
1147 1 111 LEU HA 1 115 VAL H . . 4.970 3.695 3.608 3.750 . 0 0 "[ . 1 . 2]" 1
1148 1 111 LEU HB2 1 111 LEU HG . . 2.400 2.393 2.318 2.431 0.031 14 0 "[ . 1 . 2]" 1
1149 1 111 LEU HB2 1 112 THR H . . 3.960 3.462 3.377 3.848 . 0 0 "[ . 1 . 2]" 1
1150 1 111 LEU HB3 1 111 LEU HG . . 2.740 2.478 2.435 2.571 . 0 0 "[ . 1 . 2]" 1
1151 1 111 LEU HB3 1 112 THR H . . 4.070 2.740 2.564 2.787 . 0 0 "[ . 1 . 2]" 1
1152 1 111 LEU MD1 1 115 VAL MG1 . . 8.440 2.700 1.695 3.861 . 0 0 "[ . 1 . 2]" 1
1153 1 111 LEU MD1 1 115 VAL MG2 . . 8.440 2.359 1.787 2.946 . 0 0 "[ . 1 . 2]" 1
1154 1 111 LEU MD2 1 115 VAL MG1 . . 8.440 4.130 1.967 5.583 . 0 0 "[ . 1 . 2]" 1
1155 1 111 LEU MD2 1 115 VAL MG2 . . 8.440 3.910 1.830 4.820 . 0 0 "[ . 1 . 2]" 1
1156 1 111 LEU QD 1 115 VAL QG . . 6.320 1.794 1.670 1.889 . 0 0 "[ . 1 . 2]" 1
1157 1 112 THR H 1 112 THR HB . . 3.920 2.427 2.258 2.532 . 0 0 "[ . 1 . 2]" 1
1158 1 112 THR H 1 113 GLU H . . 2.960 2.537 2.517 2.566 . 0 0 "[ . 1 . 2]" 1
1159 1 112 THR H 1 113 GLU QB . . 6.380 4.392 4.289 4.564 . 0 0 "[ . 1 . 2]" 1
1160 1 112 THR H 1 114 GLU H . . 3.920 3.931 3.891 3.966 0.046 19 0 "[ . 1 . 2]" 1
1161 1 112 THR HA 1 114 GLU H . . 4.680 4.483 4.429 4.520 . 0 0 "[ . 1 . 2]" 1
1162 1 112 THR HA 1 115 VAL H . . 5.070 3.828 3.741 3.900 . 0 0 "[ . 1 . 2]" 1
1163 1 112 THR HA 1 115 VAL HB . . 5.500 4.145 3.128 4.937 . 0 0 "[ . 1 . 2]" 1
1164 1 112 THR HA 1 115 VAL QG . . 8.090 2.693 2.021 3.581 . 0 0 "[ . 1 . 2]" 1
1165 1 112 THR HA 1 116 GLU H . . 5.500 4.009 3.995 4.039 . 0 0 "[ . 1 . 2]" 1
1166 1 112 THR HB 1 113 GLU H . . 5.500 3.014 2.622 3.819 . 0 0 "[ . 1 . 2]" 1
1167 1 112 THR MG 1 113 GLU H . . 4.480 2.939 1.965 3.489 . 0 0 "[ . 1 . 2]" 1
1168 1 112 THR MG 1 115 VAL QG . . 9.120 4.012 3.113 5.159 . 0 0 "[ . 1 . 2]" 1
1169 1 112 THR MG 1 116 GLU HB3 . . 6.530 4.263 3.972 4.855 . 0 0 "[ . 1 . 2]" 1
1170 1 113 GLU H 1 113 GLU QG . . 4.130 3.317 2.333 4.070 . 0 0 "[ . 1 . 2]" 1
1171 1 113 GLU H 1 114 GLU H . . 3.210 2.497 2.471 2.522 . 0 0 "[ . 1 . 2]" 1
1172 1 113 GLU H 1 115 VAL H . . 4.370 4.218 4.084 4.373 0.003 18 0 "[ . 1 . 2]" 1
1173 1 113 GLU HA 1 113 GLU HG2 . . 3.830 2.983 2.115 3.808 . 0 0 "[ . 1 . 2]" 1
1174 1 113 GLU HA 1 113 GLU HG3 . . 3.830 2.855 2.111 3.717 . 0 0 "[ . 1 . 2]" 1
1175 1 113 GLU HA 1 114 GLU H . . 3.600 3.519 3.511 3.525 . 0 0 "[ . 1 . 2]" 1
1176 1 113 GLU HA 1 115 VAL H . . 4.950 4.699 4.546 4.832 . 0 0 "[ . 1 . 2]" 1
1177 1 113 GLU HA 1 116 GLU H . . 3.950 3.543 3.501 3.598 . 0 0 "[ . 1 . 2]" 1
1178 1 113 GLU HA 1 116 GLU HB2 . . 3.360 3.370 3.365 3.374 0.014 3 0 "[ . 1 . 2]" 1
1179 1 113 GLU HA 1 116 GLU HB3 . . 3.110 2.612 2.367 2.770 . 0 0 "[ . 1 . 2]" 1
1180 1 113 GLU HA 1 117 LYS H . . 4.390 3.902 3.852 3.944 . 0 0 "[ . 1 . 2]" 1
1181 1 113 GLU QB 1 114 GLU H . . 4.360 2.715 2.631 3.432 . 0 0 "[ . 1 . 2]" 1
1182 1 114 GLU H 1 114 GLU QB . . 3.710 2.254 2.238 2.281 . 0 0 "[ . 1 . 2]" 1
1183 1 114 GLU H 1 114 GLU QG . . 4.490 3.584 2.565 4.028 . 0 0 "[ . 1 . 2]" 1
1184 1 114 GLU H 1 115 VAL H . . 2.770 2.665 2.591 2.733 . 0 0 "[ . 1 . 2]" 1
1185 1 114 GLU H 1 116 GLU H . . 3.920 3.843 3.739 3.888 . 0 0 "[ . 1 . 2]" 1
1186 1 114 GLU HA 1 114 GLU QG . . 3.620 2.561 2.309 2.893 . 0 0 "[ . 1 . 2]" 1
1187 1 114 GLU HA 1 116 GLU H . . 4.400 4.287 4.196 4.329 . 0 0 "[ . 1 . 2]" 1
1188 1 114 GLU HA 1 117 LYS H . . 4.040 3.712 3.671 3.772 . 0 0 "[ . 1 . 2]" 1
1189 1 114 GLU HA 1 117 LYS HB2 . . 5.500 3.338 3.233 3.520 . 0 0 "[ . 1 . 2]" 1
1190 1 114 GLU HA 1 117 LYS HB3 . . 5.500 5.005 4.798 5.256 . 0 0 "[ . 1 . 2]" 1
1191 1 114 GLU HA 1 118 ALA H . . 4.690 4.266 4.178 4.353 . 0 0 "[ . 1 . 2]" 1
1192 1 114 GLU QB 1 116 GLU H . . 5.500 4.487 4.371 4.593 . 0 0 "[ . 1 . 2]" 1
1193 1 114 GLU QG 1 115 VAL H . . 6.380 3.714 3.305 4.230 . 0 0 "[ . 1 . 2]" 1
1194 1 114 GLU QG 1 117 LYS HB3 . . 6.380 6.339 6.114 6.391 0.011 6 0 "[ . 1 . 2]" 1
1195 1 115 VAL H 1 115 VAL HB . . 4.400 3.169 2.472 3.623 . 0 0 "[ . 1 . 2]" 1
1196 1 115 VAL H 1 116 GLU H . . 2.770 2.563 2.510 2.625 . 0 0 "[ . 1 . 2]" 1
1197 1 115 VAL H 1 116 GLU HB2 . . 5.370 4.847 4.713 4.970 . 0 0 "[ . 1 . 2]" 1
1198 1 115 VAL H 1 117 LYS H . . 5.100 4.343 4.224 4.438 . 0 0 "[ . 1 . 2]" 1
1199 1 115 VAL HA 1 117 LYS H . . 4.660 4.604 4.552 4.660 . 0 0 "[ . 1 . 2]" 1
1200 1 115 VAL HA 1 118 ALA H . . 3.360 3.374 3.366 3.385 0.025 5 0 "[ . 1 . 2]" 1
1201 1 115 VAL HA 1 118 ALA MB . . 6.120 2.154 2.098 2.321 . 0 0 "[ . 1 . 2]" 1
1202 1 115 VAL HA 1 119 ILE H . . 5.500 3.885 3.662 4.045 . 0 0 "[ . 1 . 2]" 1
1203 1 115 VAL HB 1 116 GLU H . . 4.400 3.411 2.816 3.923 . 0 0 "[ . 1 . 2]" 1
1204 1 115 VAL HB 1 119 ILE H . . 5.500 5.210 4.779 5.517 0.017 6 0 "[ . 1 . 2]" 1
1205 1 115 VAL QG 1 116 GLU H . . 7.470 2.645 1.963 3.425 . 0 0 "[ . 1 . 2]" 1
1206 1 115 VAL QG 1 116 GLU HA . . 6.760 3.482 3.222 3.933 . 0 0 "[ . 1 . 2]" 1
1207 1 115 VAL QG 1 116 GLU HB2 . . 8.090 3.772 3.059 4.702 . 0 0 "[ . 1 . 2]" 1
1208 1 115 VAL QG 1 116 GLU HB3 . . 8.090 4.456 3.891 5.113 . 0 0 "[ . 1 . 2]" 1
1209 1 115 VAL QG 1 117 LYS H . . 8.090 4.484 4.163 4.872 . 0 0 "[ . 1 . 2]" 1
1210 1 115 VAL QG 1 119 ILE QG . . 8.960 3.485 2.017 4.553 . 0 0 "[ . 1 . 2]" 1
1211 1 116 GLU H 1 116 GLU HB2 . . 2.900 2.514 2.433 2.659 . 0 0 "[ . 1 . 2]" 1
1212 1 116 GLU H 1 116 GLU HB3 . . 2.650 2.555 2.420 2.647 . 0 0 "[ . 1 . 2]" 1
1213 1 116 GLU H 1 117 LYS H . . 2.870 2.638 2.584 2.691 . 0 0 "[ . 1 . 2]" 1
1214 1 116 GLU H 1 118 ALA H . . 3.600 3.622 3.608 3.638 0.038 9 0 "[ . 1 . 2]" 1
1215 1 116 GLU HA 1 118 ALA H . . 5.250 4.007 3.966 4.043 . 0 0 "[ . 1 . 2]" 1
1216 1 116 GLU HA 1 119 ILE H . . 3.660 3.656 3.619 3.677 0.017 5 0 "[ . 1 . 2]" 1
1217 1 116 GLU HA 1 119 ILE HB . . 4.380 3.471 3.248 3.711 . 0 0 "[ . 1 . 2]" 1
1218 1 116 GLU HA 1 119 ILE QG . . 6.380 4.900 4.338 5.461 . 0 0 "[ . 1 . 2]" 1
1219 1 116 GLU HA 1 120 SER H . . 3.820 3.819 3.782 3.826 0.006 6 0 "[ . 1 . 2]" 1
1220 1 116 GLU HB2 1 117 LYS H . . 4.400 3.766 3.724 3.843 . 0 0 "[ . 1 . 2]" 1
1221 1 116 GLU HB2 1 117 LYS QG . . 6.380 4.728 4.448 5.240 . 0 0 "[ . 1 . 2]" 1
1222 1 116 GLU HB3 1 117 LYS H . . 3.020 2.455 2.403 2.513 . 0 0 "[ . 1 . 2]" 1
1223 1 116 GLU HB3 1 118 ALA H . . 5.040 4.557 4.509 4.607 . 0 0 "[ . 1 . 2]" 1
1224 1 116 GLU QG 1 117 LYS H . . 6.380 3.671 3.333 4.159 . 0 0 "[ . 1 . 2]" 1
1225 1 117 LYS H 1 117 LYS HA . . 2.980 2.881 2.870 2.893 . 0 0 "[ . 1 . 2]" 1
1226 1 117 LYS H 1 117 LYS HB2 . . 3.050 2.411 2.235 2.545 . 0 0 "[ . 1 . 2]" 1
1227 1 117 LYS H 1 118 ALA H . . 2.560 2.420 2.374 2.446 . 0 0 "[ . 1 . 2]" 1
1228 1 117 LYS H 1 118 ALA MB . . 5.410 4.072 4.033 4.101 . 0 0 "[ . 1 . 2]" 1
1229 1 117 LYS H 1 119 ILE H . . 4.400 4.103 4.007 4.175 . 0 0 "[ . 1 . 2]" 1
1230 1 117 LYS HA 1 118 ALA H . . 3.610 3.376 3.359 3.402 . 0 0 "[ . 1 . 2]" 1
1231 1 117 LYS HA 1 119 ILE H . . 4.270 4.201 4.128 4.274 0.004 1 0 "[ . 1 . 2]" 1
1232 1 117 LYS HA 1 120 SER H . . 3.610 3.482 3.395 3.579 . 0 0 "[ . 1 . 2]" 1
1233 1 117 LYS HA 1 120 SER QB . . 3.960 2.994 2.699 3.859 . 0 0 "[ . 1 . 2]" 1
1234 1 117 LYS HA 1 121 LYS H . . 3.520 2.861 2.159 3.408 . 0 0 "[ . 1 . 2]" 1
1235 1 117 LYS HB2 1 117 LYS QD . . 3.430 2.432 1.991 3.224 . 0 0 "[ . 1 . 2]" 1
1236 1 117 LYS HB2 1 117 LYS QE . . 3.310 2.738 2.179 3.257 . 0 0 "[ . 1 . 2]" 1
1237 1 117 LYS HB2 1 118 ALA H . . 3.600 3.277 3.183 3.372 . 0 0 "[ . 1 . 2]" 1
1238 1 117 LYS HB3 1 117 LYS QD . . 3.280 2.847 2.025 3.216 . 0 0 "[ . 1 . 2]" 1
1239 1 117 LYS HB3 1 117 LYS QE . . 3.280 2.546 1.958 3.077 . 0 0 "[ . 1 . 2]" 1
1240 1 117 LYS HB3 1 118 ALA H . . 4.380 4.078 3.915 4.171 . 0 0 "[ . 1 . 2]" 1
1241 1 117 LYS HB3 1 121 LYS HA . . 5.120 5.114 5.044 5.134 0.014 6 0 "[ . 1 . 2]" 1
1242 1 117 LYS QG 1 118 ALA H . . 6.380 4.320 4.156 4.545 . 0 0 "[ . 1 . 2]" 1
1243 1 117 LYS QG 1 121 LYS HA . . 5.760 5.442 5.094 5.763 0.003 3 0 "[ . 1 . 2]" 1
1244 1 118 ALA H 1 119 ILE H . . 2.400 2.268 2.196 2.353 . 0 0 "[ . 1 . 2]" 1
1245 1 118 ALA H 1 120 SER H . . 3.600 3.588 3.495 3.606 0.006 20 0 "[ . 1 . 2]" 1
1246 1 118 ALA HA 1 120 SER H . . 4.910 4.543 4.427 4.607 . 0 0 "[ . 1 . 2]" 1
1247 1 118 ALA HA 1 121 LYS H . . 5.500 4.189 3.779 4.730 . 0 0 "[ . 1 . 2]" 1
1248 1 118 ALA MB 1 119 ILE HA . . 6.340 3.979 3.947 4.006 . 0 0 "[ . 1 . 2]" 1
1249 1 118 ALA MB 1 119 ILE QG . . 4.830 3.118 2.677 3.541 . 0 0 "[ . 1 . 2]" 1
1250 1 119 ILE H 1 119 ILE HB . . 3.050 2.445 2.262 2.698 . 0 0 "[ . 1 . 2]" 1
1251 1 119 ILE H 1 120 SER H . . 2.400 2.139 2.098 2.213 . 0 0 "[ . 1 . 2]" 1
1252 1 119 ILE H 1 121 LYS H . . 3.980 3.709 3.450 3.987 0.007 6 0 "[ . 1 . 2]" 1
1253 1 119 ILE HA 1 120 SER H . . 3.600 3.481 3.436 3.494 . 0 0 "[ . 1 . 2]" 1
1254 1 119 ILE HA 1 121 LYS H . . 5.500 4.674 4.179 5.320 . 0 0 "[ . 1 . 2]" 1
1255 1 119 ILE HB 1 120 SER H . . 3.210 2.964 2.864 3.211 0.001 10 0 "[ . 1 . 2]" 1
1256 1 119 ILE HB 1 120 SER HA . . 4.940 4.567 4.270 4.937 . 0 0 "[ . 1 . 2]" 1
1257 1 119 ILE MG 1 120 SER H . . 5.910 3.490 3.053 3.896 . 0 0 "[ . 1 . 2]" 1
1258 1 119 ILE MD 1 120 SER H . . 6.530 4.603 4.156 5.054 . 0 0 "[ . 1 . 2]" 1
1259 1 120 SER H 1 120 SER QB . . 3.770 2.383 2.293 2.620 . 0 0 "[ . 1 . 2]" 1
1260 1 120 SER H 1 121 LYS H . . 3.830 2.339 2.215 2.488 . 0 0 "[ . 1 . 2]" 1
1261 1 120 SER HA 1 121 LYS H . . 3.600 3.501 3.454 3.569 . 0 0 "[ . 1 . 2]" 1
1262 1 120 SER HA 1 122 SER H . . 3.950 3.587 3.342 3.948 . 0 0 "[ . 1 . 2]" 1
1263 1 121 LYS HA 1 121 LYS QD . . 5.140 3.588 2.003 4.341 . 0 0 "[ . 1 . 2]" 1
1264 1 121 LYS HA 1 122 SER H . . 3.520 3.434 3.348 3.516 . 0 0 "[ . 1 . 2]" 1
1265 1 122 SER H 1 122 SER HB2 . . 3.730 2.873 2.089 3.600 . 0 0 "[ . 1 . 2]" 1
1266 1 122 SER H 1 123 GLN H . . 4.760 2.583 2.184 2.888 . 0 0 "[ . 1 . 2]" 1
1267 1 122 SER HA 1 122 SER HB2 . . 2.780 2.662 2.402 2.773 . 0 0 "[ . 1 . 2]" 1
1268 1 122 SER HA 1 123 GLN H . . 4.020 3.554 3.505 3.571 . 0 0 "[ . 1 . 2]" 1
1269 1 122 SER HB2 1 123 GLN H . . 3.510 3.301 2.974 3.482 . 0 0 "[ . 1 . 2]" 1
1270 1 123 GLN H 1 123 GLN HB2 . . 3.790 3.140 2.434 3.787 . 0 0 "[ . 1 . 2]" 1
1271 1 123 GLN HA 1 123 GLN HB2 . . 2.590 2.416 2.230 2.581 . 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 115
_Distance_constraint_stats_list.Viol_count 608
_Distance_constraint_stats_list.Viol_total 142.656
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0117
_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 18 PRO 0.001 0.001 5 0 "[ . 1 . 2]"
1 19 LEU 0.008 0.002 7 0 "[ . 1 . 2]"
1 20 GLU 0.027 0.003 8 0 "[ . 1 . 2]"
1 21 LYS 0.065 0.005 9 0 "[ . 1 . 2]"
1 22 TYR 0.022 0.007 6 0 "[ . 1 . 2]"
1 23 HIS 0.011 0.002 1 0 "[ . 1 . 2]"
1 24 GLU 0.081 0.017 8 0 "[ . 1 . 2]"
1 25 GLU 0.066 0.005 9 0 "[ . 1 . 2]"
1 26 ALA 0.319 0.043 18 0 "[ . 1 . 2]"
1 27 ASP 0.092 0.019 8 0 "[ . 1 . 2]"
1 28 ASP 0.189 0.017 8 0 "[ . 1 . 2]"
1 29 TYR 0.389 0.035 20 0 "[ . 1 . 2]"
1 30 LEU 0.552 0.043 18 0 "[ . 1 . 2]"
1 31 ASP 0.146 0.019 8 0 "[ . 1 . 2]"
1 32 HIS 0.429 0.045 16 0 "[ . 1 . 2]"
1 33 LEU 1.289 0.078 1 0 "[ . 1 . 2]"
1 34 LEU 0.254 0.041 1 0 "[ . 1 . 2]"
1 35 ASP 0.449 0.040 1 0 "[ . 1 . 2]"
1 36 SER 0.387 0.045 16 0 "[ . 1 . 2]"
1 37 LEU 0.924 0.078 1 0 "[ . 1 . 2]"
1 38 GLU 0.158 0.023 19 0 "[ . 1 . 2]"
1 39 GLU 0.391 0.040 1 0 "[ . 1 . 2]"
1 40 LEU 0.093 0.012 17 0 "[ . 1 . 2]"
1 41 SER 0.022 0.012 10 0 "[ . 1 . 2]"
1 42 GLU 0.158 0.023 19 0 "[ . 1 . 2]"
1 50 ASP 0.058 0.015 1 0 "[ . 1 . 2]"
1 52 GLU 0.081 0.032 19 0 "[ . 1 . 2]"
1 54 SER 0.122 0.018 14 0 "[ . 1 . 2]"
1 57 VAL 0.122 0.018 14 0 "[ . 1 . 2]"
1 58 MET 0.098 0.029 1 0 "[ . 1 . 2]"
1 59 THR 0.081 0.032 19 0 "[ . 1 . 2]"
1 60 LEU 0.018 0.012 19 0 "[ . 1 . 2]"
1 61 GLU 0.058 0.015 1 0 "[ . 1 . 2]"
1 62 ILE 0.587 0.080 17 0 "[ . 1 . 2]"
1 66 GLY 0.587 0.080 17 0 "[ . 1 . 2]"
1 67 THR 0.792 0.078 20 0 "[ . 1 . 2]"
1 68 TYR 0.018 0.012 19 0 "[ . 1 . 2]"
1 69 VAL 0.090 0.015 13 0 "[ . 1 . 2]"
1 70 ILE 0.098 0.029 1 0 "[ . 1 . 2]"
1 71 ASN 0.131 0.027 16 0 "[ . 1 . 2]"
1 79 ILE 0.086 0.024 11 0 "[ . 1 . 2]"
1 80 TRP 0.131 0.027 16 0 "[ . 1 . 2]"
1 81 LEU 0.214 0.022 16 0 "[ . 1 . 2]"
1 82 ALA 0.090 0.015 13 0 "[ . 1 . 2]"
1 84 PRO 0.792 0.078 20 0 "[ . 1 . 2]"
1 89 ASN 0.214 0.022 16 0 "[ . 1 . 2]"
1 91 PHE 0.086 0.024 11 0 "[ . 1 . 2]"
1 92 ASP 0.081 0.010 12 0 "[ . 1 . 2]"
1 94 LEU 0.016 0.008 19 0 "[ . 1 . 2]"
1 97 GLU 0.016 0.008 19 0 "[ . 1 . 2]"
1 99 VAL 0.081 0.010 12 0 "[ . 1 . 2]"
1 100 SER 0.194 0.039 11 0 "[ . 1 . 2]"
1 105 THR 0.194 0.039 11 0 "[ . 1 . 2]"
1 108 THR 0.069 0.011 16 0 "[ . 1 . 2]"
1 109 ASP 0.398 0.027 3 0 "[ . 1 . 2]"
1 110 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LEU 0.310 0.035 18 0 "[ . 1 . 2]"
1 112 THR 0.358 0.016 12 0 "[ . 1 . 2]"
1 113 GLU 0.598 0.027 3 0 "[ . 1 . 2]"
1 114 GLU 0.028 0.006 20 0 "[ . 1 . 2]"
1 115 VAL 0.321 0.035 18 0 "[ . 1 . 2]"
1 116 GLU 0.290 0.016 12 0 "[ . 1 . 2]"
1 117 LYS 0.200 0.016 1 0 "[ . 1 . 2]"
1 118 ALA 0.028 0.006 20 0 "[ . 1 . 2]"
1 119 ILE 0.012 0.003 5 0 "[ . 1 . 2]"
1 120 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 18 PRO O 1 22 TYR H . . 2.200 2.058 1.937 2.158 . 0 0 "[ . 1 . 2]" 2
2 1 18 PRO O 1 22 TYR N . . 3.000 2.945 2.826 3.001 0.001 5 0 "[ . 1 . 2]" 2
3 1 19 LEU O 1 23 HIS H . . 2.200 2.000 1.826 2.074 . 0 0 "[ . 1 . 2]" 2
4 1 19 LEU O 1 23 HIS N . . 3.000 2.949 2.774 3.002 0.002 7 0 "[ . 1 . 2]" 2
5 1 20 GLU O 1 24 GLU H . . 2.200 2.159 2.124 2.190 . 0 0 "[ . 1 . 2]" 2
6 1 20 GLU O 1 24 GLU N . . 3.000 2.998 2.942 3.003 0.003 8 0 "[ . 1 . 2]" 2
7 1 21 LYS O 1 25 GLU H . . 2.200 2.076 1.997 2.160 . 0 0 "[ . 1 . 2]" 2
8 1 21 LYS O 1 25 GLU N . . 3.000 2.999 2.956 3.005 0.005 9 0 "[ . 1 . 2]" 2
9 1 22 TYR O 1 26 ALA H . . 2.200 1.990 1.800 2.097 . 0 0 "[ . 1 . 2]" 2
10 1 22 TYR O 1 26 ALA N . . 3.000 2.934 2.717 3.007 0.007 6 0 "[ . 1 . 2]" 2
11 1 23 HIS O 1 27 ASP H . . 2.200 2.098 1.984 2.202 0.002 1 0 "[ . 1 . 2]" 2
12 1 23 HIS O 1 27 ASP N . . 3.000 2.912 2.813 3.001 0.001 17 0 "[ . 1 . 2]" 2
13 1 24 GLU O 1 28 ASP H . . 2.200 2.089 2.043 2.150 . 0 0 "[ . 1 . 2]" 2
14 1 24 GLU O 1 28 ASP N . . 3.000 2.990 2.915 3.017 0.017 8 0 "[ . 1 . 2]" 2
15 1 25 GLU O 1 29 TYR H . . 2.000 1.868 1.797 2.002 0.002 17 0 "[ . 1 . 2]" 2
16 1 25 GLU O 1 29 TYR N . . 3.000 2.698 2.634 2.842 . 0 0 "[ . 1 . 2]" 2
17 1 26 ALA O 1 30 LEU H . . 2.200 2.039 1.900 2.071 . 0 0 "[ . 1 . 2]" 2
18 1 26 ALA O 1 30 LEU N . . 3.000 3.008 2.871 3.043 0.043 18 0 "[ . 1 . 2]" 2
19 1 27 ASP O 1 31 ASP H . . 2.200 2.084 2.026 2.153 . 0 0 "[ . 1 . 2]" 2
20 1 27 ASP O 1 31 ASP N . . 3.000 2.997 2.940 3.019 0.019 8 0 "[ . 1 . 2]" 2
21 1 28 ASP O 1 32 HIS H . . 2.200 2.071 1.954 2.124 . 0 0 "[ . 1 . 2]" 2
22 1 28 ASP O 1 32 HIS N . . 3.000 2.995 2.873 3.015 0.015 15 0 "[ . 1 . 2]" 2
23 1 29 TYR O 1 33 LEU H . . 2.200 2.218 2.204 2.235 0.035 20 0 "[ . 1 . 2]" 2
24 1 29 TYR O 1 33 LEU N . . 3.000 2.959 2.881 3.019 0.019 1 0 "[ . 1 . 2]" 2
25 1 30 LEU O 1 34 LEU H . . 2.200 2.042 2.014 2.069 . 0 0 "[ . 1 . 2]" 2
26 1 30 LEU O 1 34 LEU N . . 3.000 3.012 2.987 3.041 0.041 1 0 "[ . 1 . 2]" 2
27 1 31 ASP O 1 35 ASP H . . 2.200 2.152 1.992 2.202 0.002 3 0 "[ . 1 . 2]" 2
28 1 31 ASP O 1 35 ASP N . . 3.000 2.973 2.815 3.015 0.015 14 0 "[ . 1 . 2]" 2
29 1 32 HIS O 1 36 SER H . . 2.200 2.103 2.065 2.128 . 0 0 "[ . 1 . 2]" 2
30 1 32 HIS O 1 36 SER N . . 3.000 3.014 2.977 3.045 0.045 16 0 "[ . 1 . 2]" 2
31 1 33 LEU O 1 37 LEU H . . 2.200 2.089 2.064 2.123 . 0 0 "[ . 1 . 2]" 2
32 1 33 LEU O 1 37 LEU N . . 3.000 3.045 3.021 3.078 0.078 1 0 "[ . 1 . 2]" 2
33 1 34 LEU O 1 38 GLU H . . 2.200 1.980 1.799 2.102 . 0 0 "[ . 1 . 2]" 2
34 1 34 LEU O 1 38 GLU N . . 3.000 2.845 2.635 2.983 . 0 0 "[ . 1 . 2]" 2
35 1 35 ASP O 1 39 GLU H . . 2.200 2.220 2.205 2.240 0.040 1 0 "[ . 1 . 2]" 2
36 1 35 ASP O 1 39 GLU N . . 3.600 3.096 3.049 3.146 . 0 0 "[ . 1 . 2]" 2
37 1 36 SER O 1 40 LEU H . . 2.200 2.143 1.906 2.212 0.012 17 0 "[ . 1 . 2]" 2
38 1 36 SER O 1 40 LEU N . . 3.000 2.943 2.769 3.011 0.011 4 0 "[ . 1 . 2]" 2
39 1 37 LEU O 1 41 SER H . . 2.200 2.009 1.798 2.206 0.006 15 0 "[ . 1 . 2]" 2
40 1 37 LEU O 1 41 SER N . . 3.000 2.894 2.739 3.012 0.012 10 0 "[ . 1 . 2]" 2
41 1 38 GLU O 1 42 GLU H . . 2.200 2.193 2.092 2.223 0.023 19 0 "[ . 1 . 2]" 2
42 1 38 GLU O 1 42 GLU N . . 3.000 2.944 2.850 3.000 0.000 9 0 "[ . 1 . 2]" 2
43 1 108 THR O 1 112 THR H . . 2.200 2.152 2.117 2.186 . 0 0 "[ . 1 . 2]" 2
44 1 108 THR O 1 112 THR N . . 3.000 3.002 2.991 3.011 0.011 16 0 "[ . 1 . 2]" 2
45 1 109 ASP O 1 113 GLU H . . 2.200 2.118 2.107 2.128 . 0 0 "[ . 1 . 2]" 2
46 1 109 ASP O 1 113 GLU N . . 3.000 3.020 3.008 3.027 0.027 3 0 "[ . 1 . 2]" 2
47 1 110 ILE O 1 114 GLU H . . 2.200 2.014 1.942 2.091 . 0 0 "[ . 1 . 2]" 2
48 1 110 ILE O 1 114 GLU N . . 3.000 2.847 2.766 2.902 . 0 0 "[ . 1 . 2]" 2
49 1 111 LEU O 1 115 VAL H . . 2.200 2.086 2.065 2.106 . 0 0 "[ . 1 . 2]" 2
50 1 111 LEU O 1 115 VAL N . . 3.000 3.014 2.979 3.035 0.035 18 0 "[ . 1 . 2]" 2
51 1 112 THR O 1 116 GLU H . . 2.200 2.211 2.204 2.216 0.016 12 0 "[ . 1 . 2]" 2
52 1 112 THR O 1 116 GLU N . . 3.000 2.999 2.952 3.012 0.012 5 0 "[ . 1 . 2]" 2
53 1 113 GLU O 1 117 LYS H . . 2.200 2.066 2.055 2.080 . 0 0 "[ . 1 . 2]" 2
54 1 113 GLU O 1 117 LYS N . . 3.000 3.010 3.005 3.016 0.016 1 0 "[ . 1 . 2]" 2
55 1 114 GLU O 1 118 ALA H . . 2.200 2.182 2.054 2.206 0.006 20 0 "[ . 1 . 2]" 2
56 1 114 GLU O 1 118 ALA N . . 3.000 2.800 2.717 2.898 . 0 0 "[ . 1 . 2]" 2
57 1 115 VAL O 1 119 ILE H . . 2.200 2.095 1.933 2.203 0.003 5 0 "[ . 1 . 2]" 2
58 1 115 VAL O 1 119 ILE N . . 3.000 2.887 2.705 3.000 0.000 9 0 "[ . 1 . 2]" 2
59 1 116 GLU O 1 120 SER H . . 2.200 2.008 1.893 2.103 . 0 0 "[ . 1 . 2]" 2
60 1 116 GLU O 1 120 SER N . . 3.000 2.845 2.693 2.948 . 0 0 "[ . 1 . 2]" 2
61 1 50 ASP H 1 61 GLU O . . 2.000 1.955 1.799 2.015 0.015 1 0 "[ . 1 . 2]" 2
62 1 50 ASP N 1 61 GLU O . . 3.000 2.834 2.446 2.963 . 0 0 "[ . 1 . 2]" 2
63 1 50 ASP O 1 61 GLU H . . 2.000 1.806 1.786 1.999 . 0 0 "[ . 1 . 2]" 2
64 1 50 ASP O 1 61 GLU N . . 3.000 2.619 2.480 2.765 . 0 0 "[ . 1 . 2]" 2
65 1 52 GLU H 1 59 THR O . . 2.000 1.839 1.789 1.960 . 0 0 "[ . 1 . 2]" 2
66 1 52 GLU N 1 59 THR O . . 3.000 2.666 2.451 2.864 . 0 0 "[ . 1 . 2]" 2
67 1 52 GLU O 1 59 THR H . . 2.000 2.002 1.984 2.032 0.032 19 0 "[ . 1 . 2]" 2
68 1 52 GLU O 1 59 THR N . . 3.000 2.654 2.563 2.787 . 0 0 "[ . 1 . 2]" 2
69 1 54 SER H 1 57 VAL O . . 2.000 1.917 1.787 2.018 0.018 14 0 "[ . 1 . 2]" 2
70 1 54 SER N 1 57 VAL O . . 3.000 2.802 2.677 2.898 . 0 0 "[ . 1 . 2]" 2
71 1 54 SER O 1 57 VAL H . . 2.000 1.807 1.778 2.014 0.014 12 0 "[ . 1 . 2]" 2
72 1 54 SER O 1 57 VAL N . . 3.250 2.579 2.395 2.813 . 0 0 "[ . 1 . 2]" 2
73 1 58 MET H 1 70 ILE O . . 2.000 1.960 1.805 2.029 0.029 1 0 "[ . 1 . 2]" 2
74 1 58 MET N 1 70 ILE O . . 3.000 2.567 2.449 2.729 . 0 0 "[ . 1 . 2]" 2
75 1 58 MET O 1 70 ILE H . . 2.000 1.958 1.798 2.008 0.008 14 0 "[ . 1 . 2]" 2
76 1 58 MET O 1 70 ILE N . . 3.000 2.819 2.662 2.892 . 0 0 "[ . 1 . 2]" 2
77 1 60 LEU H 1 68 TYR O . . 3.000 1.883 1.792 2.219 . 0 0 "[ . 1 . 2]" 2
78 1 60 LEU N 1 68 TYR O . . 3.000 2.596 2.467 2.767 . 0 0 "[ . 1 . 2]" 2
79 1 60 LEU O 1 68 TYR H . . 2.000 1.849 1.796 2.012 0.012 19 0 "[ . 1 . 2]" 2
80 1 60 LEU O 1 68 TYR N . . 3.000 2.625 2.456 2.871 . 0 0 "[ . 1 . 2]" 2
81 1 62 ILE H 1 66 GLY O . . 2.000 1.927 1.788 2.015 0.015 11 0 "[ . 1 . 2]" 2
82 1 62 ILE N 1 66 GLY O . . 3.000 2.660 2.460 2.868 . 0 0 "[ . 1 . 2]" 2
83 1 62 ILE O 1 66 GLY H . . 2.000 2.025 1.976 2.080 0.080 17 0 "[ . 1 . 2]" 2
84 1 62 ILE O 1 66 GLY N . . 3.000 2.911 2.804 2.952 . 0 0 "[ . 1 . 2]" 2
85 1 67 THR H 1 84 PRO O . . 2.500 2.502 2.314 2.529 0.029 20 0 "[ . 1 . 2]" 2
86 1 67 THR N 1 84 PRO O . . 3.500 3.385 3.212 3.414 . 0 0 "[ . 1 . 2]" 2
87 1 67 THR O 1 84 PRO N . . 3.500 3.526 3.477 3.578 0.078 20 0 "[ . 1 . 2]" 2
88 1 69 VAL H 1 82 ALA O . . 2.000 1.971 1.873 2.015 0.015 13 0 "[ . 1 . 2]" 2
89 1 69 VAL N 1 82 ALA O . . 3.000 2.888 2.842 2.933 . 0 0 "[ . 1 . 2]" 2
90 1 69 VAL O 1 82 ALA H . . 2.000 1.800 1.783 1.841 . 0 0 "[ . 1 . 2]" 2
91 1 69 VAL O 1 82 ALA N . . 3.000 2.646 2.499 2.762 . 0 0 "[ . 1 . 2]" 2
92 1 71 ASN H 1 80 TRP O . . 2.000 1.929 1.797 2.023 0.023 18 0 "[ . 1 . 2]" 2
93 1 71 ASN N 1 80 TRP O . . 3.000 2.856 2.746 2.955 . 0 0 "[ . 1 . 2]" 2
94 1 71 ASN O 1 80 TRP H . . 2.000 1.941 1.773 2.027 0.027 16 0 "[ . 1 . 2]" 2
95 1 71 ASN O 1 80 TRP N . . 3.000 2.794 2.532 2.941 . 0 0 "[ . 1 . 2]" 2
96 1 81 LEU H 1 89 ASN O . . 2.000 1.990 1.924 2.022 0.022 16 0 "[ . 1 . 2]" 2
97 1 81 LEU N 1 89 ASN O . . 3.000 2.822 2.686 2.907 . 0 0 "[ . 1 . 2]" 2
98 1 81 LEU O 1 89 ASN H . . 2.000 2.002 1.941 2.021 0.021 15 0 "[ . 1 . 2]" 2
99 1 81 LEU O 1 89 ASN N . . 3.000 2.649 2.548 2.701 . 0 0 "[ . 1 . 2]" 2
100 1 79 ILE H 1 91 PHE O . . 2.000 1.956 1.789 2.024 0.024 11 0 "[ . 1 . 2]" 2
101 1 79 ILE N 1 91 PHE O . . 3.000 2.891 2.700 2.981 . 0 0 "[ . 1 . 2]" 2
102 1 79 ILE O 1 91 PHE H . . 2.000 1.809 1.784 1.891 . 0 0 "[ . 1 . 2]" 2
103 1 79 ILE O 1 91 PHE N . . 3.000 2.723 2.497 2.822 . 0 0 "[ . 1 . 2]" 2
104 1 94 LEU H 1 97 GLU O . . 2.000 1.814 1.798 1.944 . 0 0 "[ . 1 . 2]" 2
105 1 94 LEU N 1 97 GLU O . . 3.000 2.656 2.437 2.819 . 0 0 "[ . 1 . 2]" 2
106 1 94 LEU O 1 97 GLU H . . 2.000 1.957 1.794 2.008 0.008 19 0 "[ . 1 . 2]" 2
107 1 94 LEU O 1 97 GLU N . . 3.000 2.740 2.443 2.883 . 0 0 "[ . 1 . 2]" 2
108 1 92 ASP H 1 99 VAL O . . 2.000 1.991 1.856 2.010 0.010 12 0 "[ . 1 . 2]" 2
109 1 92 ASP N 1 99 VAL O . . 3.000 2.927 2.811 2.966 . 0 0 "[ . 1 . 2]" 2
110 1 92 ASP O 1 99 VAL H . . 2.000 1.913 1.787 2.006 0.006 20 0 "[ . 1 . 2]" 2
111 1 92 ASP O 1 99 VAL N . . 3.000 2.799 2.647 2.903 . 0 0 "[ . 1 . 2]" 2
112 1 100 SER H 1 105 THR O . . 2.000 1.797 1.788 1.802 . 0 0 "[ . 1 . 2]" 2
113 1 100 SER N 1 105 THR O . . 3.000 2.681 2.597 2.732 . 0 0 "[ . 1 . 2]" 2
114 1 100 SER O 1 105 THR H . . 2.000 2.009 1.989 2.039 0.039 11 0 "[ . 1 . 2]" 2
115 1 100 SER O 1 105 THR N . . 3.000 2.954 2.873 2.984 . 0 0 "[ . 1 . 2]" 2
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