Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
528306 | 2lkh RC | 17992 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lkh
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 971
_Distance_constraint_stats_list.Viol_count 1667
_Distance_constraint_stats_list.Viol_total 832.932
_Distance_constraint_stats_list.Viol_max 0.485
_Distance_constraint_stats_list.Viol_rms 0.0194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0333
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 HIS 0.010 0.004 6 0 "[ . 1 .]"
1 9 ALA 0.630 0.034 1 0 "[ . 1 .]"
1 10 MET 0.961 0.090 15 0 "[ . 1 .]"
1 11 VAL 1.626 0.077 2 0 "[ . 1 .]"
1 12 ILE 3.169 0.143 15 0 "[ . 1 .]"
1 13 ASP 2.881 0.143 15 0 "[ . 1 .]"
1 14 HIS 0.002 0.001 13 0 "[ . 1 .]"
1 15 ILE 0.016 0.009 4 0 "[ . 1 .]"
1 16 LEU 0.002 0.002 3 0 "[ . 1 .]"
1 17 LYS 0.316 0.027 1 0 "[ . 1 .]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 19 VAL 1.845 0.373 9 0 "[ . 1 .]"
1 20 PHE 2.597 0.070 13 0 "[ . 1 .]"
1 21 ASP 1.225 0.070 13 0 "[ . 1 .]"
1 22 LYS 0.173 0.038 15 0 "[ . 1 .]"
1 23 ILE 0.005 0.001 12 0 "[ . 1 .]"
1 24 CYS 0.011 0.002 12 0 "[ . 1 .]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 26 ILE 0.095 0.034 14 0 "[ . 1 .]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 28 THR 0.000 0.000 . 0 "[ . 1 .]"
1 29 GLU 0.098 0.065 15 0 "[ . 1 .]"
1 30 SER 0.071 0.065 15 0 "[ . 1 .]"
1 31 VAL 2.365 0.248 9 0 "[ . 1 .]"
1 32 GLU 6.596 0.236 6 0 "[ . 1 .]"
1 33 ALA 3.274 0.148 6 0 "[ . 1 .]"
1 34 GLY 3.589 0.236 6 0 "[ . 1 .]"
1 35 ARG 4.902 0.232 13 0 "[ . 1 .]"
1 36 LEU 6.403 0.249 5 0 "[ . 1 .]"
1 37 ILE 5.014 0.249 5 0 "[ . 1 .]"
1 38 GLU 3.946 0.197 15 0 "[ . 1 .]"
1 39 LEU 2.199 0.197 15 0 "[ . 1 .]"
1 40 SER 0.946 0.104 9 0 "[ . 1 .]"
1 41 GLN 0.388 0.067 9 0 "[ . 1 .]"
1 42 GLU 1.160 0.114 9 0 "[ . 1 .]"
1 43 GLY 1.127 0.114 9 0 "[ . 1 .]"
1 44 GLY 0.025 0.012 3 0 "[ . 1 .]"
1 47 GLY 0.011 0.009 6 0 "[ . 1 .]"
1 48 GLY 0.579 0.073 13 0 "[ . 1 .]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 50 LEU 1.318 0.117 13 0 "[ . 1 .]"
1 51 TYR 0.911 0.117 13 0 "[ . 1 .]"
1 52 PHE 0.737 0.248 9 0 "[ . 1 .]"
1 53 VAL 1.274 0.114 2 0 "[ . 1 .]"
1 54 VAL 0.585 0.114 2 0 "[ . 1 .]"
1 55 ASN 0.268 0.044 7 0 "[ . 1 .]"
1 56 VAL 0.098 0.023 2 0 "[ . 1 .]"
1 57 ILE 0.881 0.098 10 0 "[ . 1 .]"
1 58 GLU 0.184 0.025 13 0 "[ . 1 .]"
1 59 PRO 0.014 0.004 8 0 "[ . 1 .]"
1 60 CYS 0.266 0.018 13 0 "[ . 1 .]"
1 61 LYS 0.637 0.042 2 0 "[ . 1 .]"
1 62 LYS 0.014 0.004 8 0 "[ . 1 .]"
1 63 PHE 2.682 0.485 7 0 "[ . 1 .]"
1 64 SER 0.529 0.042 2 0 "[ . 1 .]"
1 65 GLU 0.165 0.014 4 0 "[ . 1 .]"
1 66 LEU 0.662 0.055 7 0 "[ . 1 .]"
1 67 THR 3.829 0.485 7 0 "[ . 1 .]"
1 68 GLY 1.050 0.065 5 0 "[ . 1 .]"
1 69 LEU 0.702 0.055 7 0 "[ . 1 .]"
1 70 VAL 0.769 0.079 7 0 "[ . 1 .]"
1 71 PHE 0.001 0.001 2 0 "[ . 1 .]"
1 72 TYR 0.293 0.019 14 0 "[ . 1 .]"
1 73 LEU 0.019 0.007 7 0 "[ . 1 .]"
1 74 PRO 0.095 0.007 14 0 "[ . 1 .]"
1 75 THR 0.569 0.076 10 0 "[ . 1 .]"
1 76 ASP 0.741 0.076 10 0 "[ . 1 .]"
1 77 SER 0.000 0.000 . 0 "[ . 1 .]"
1 78 GLY 0.188 0.027 14 0 "[ . 1 .]"
1 79 GLU 0.156 0.046 10 0 "[ . 1 .]"
1 80 LYS 0.432 0.024 7 0 "[ . 1 .]"
1 81 MET 0.217 0.022 7 0 "[ . 1 .]"
1 82 THR 0.022 0.004 8 0 "[ . 1 .]"
1 83 GLU 0.094 0.022 4 0 "[ . 1 .]"
1 84 SER 0.085 0.012 4 0 "[ . 1 .]"
1 85 LYS 0.062 0.012 4 0 "[ . 1 .]"
1 86 SER 0.013 0.004 14 0 "[ . 1 .]"
1 87 VAL 0.503 0.061 12 0 "[ . 1 .]"
1 88 LEU 0.090 0.013 13 0 "[ . 1 .]"
1 89 LYS 0.027 0.004 7 0 "[ . 1 .]"
1 90 SER 0.106 0.024 8 0 "[ . 1 .]"
1 91 LEU 0.382 0.025 8 0 "[ . 1 .]"
1 92 THR 0.424 0.034 10 0 "[ . 1 .]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 95 LEU 0.446 0.034 10 0 "[ . 1 .]"
1 96 LYS 0.048 0.013 11 0 "[ . 1 .]"
1 97 LYS 4.786 0.249 11 0 "[ . 1 .]"
1 98 ILE 4.745 0.137 13 0 "[ . 1 .]"
1 99 VAL 2.313 0.270 1 0 "[ . 1 .]"
1 100 GLU 2.608 0.249 11 0 "[ . 1 .]"
1 101 LEU 3.270 0.137 13 0 "[ . 1 .]"
1 102 ILE 0.146 0.052 11 0 "[ . 1 .]"
1 103 PRO 0.120 0.051 9 0 "[ . 1 .]"
1 105 THR 0.001 0.000 5 0 "[ . 1 .]"
1 106 SER 0.005 0.002 6 0 "[ . 1 .]"
1 107 SER 0.008 0.002 6 0 "[ . 1 .]"
1 108 ALA 0.002 0.001 12 0 "[ . 1 .]"
1 109 VAL 0.003 0.001 2 0 "[ . 1 .]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 111 LEU 0.002 0.001 12 0 "[ . 1 .]"
1 112 ILE 0.002 0.001 14 0 "[ . 1 .]"
1 113 GLY 0.001 0.001 14 0 "[ . 1 .]"
1 114 LYS 0.009 0.008 6 0 "[ . 1 .]"
1 115 TYR 0.004 0.002 10 0 "[ . 1 .]"
1 116 MET 0.041 0.005 12 0 "[ . 1 .]"
1 117 LEU 0.005 0.002 14 0 "[ . 1 .]"
1 118 PHE 0.102 0.034 14 0 "[ . 1 .]"
1 119 THR 0.001 0.001 6 0 "[ . 1 .]"
1 120 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 121 GLU 0.006 0.002 14 0 "[ . 1 .]"
1 122 PHE 0.863 0.373 9 0 "[ . 1 .]"
1 123 VAL 0.072 0.035 2 0 "[ . 1 .]"
1 124 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 125 SER 0.016 0.007 14 0 "[ . 1 .]"
1 126 SER 0.036 0.035 2 0 "[ . 1 .]"
1 127 ILE 0.003 0.001 3 0 "[ . 1 .]"
1 128 LYS 0.002 0.001 3 0 "[ . 1 .]"
1 129 ILE 0.031 0.009 7 0 "[ . 1 .]"
1 130 THR 0.987 0.068 2 0 "[ . 1 .]"
1 131 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 132 GLU 0.987 0.068 2 0 "[ . 1 .]"
1 133 VAL 0.187 0.033 8 0 "[ . 1 .]"
1 134 ILE 0.185 0.081 8 0 "[ . 1 .]"
1 135 ASN 0.163 0.081 8 0 "[ . 1 .]"
1 136 THR 0.222 0.033 8 0 "[ . 1 .]"
1 137 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 138 HIS 0.061 0.008 1 0 "[ . 1 .]"
1 139 ARG 0.193 0.053 1 0 "[ . 1 .]"
1 140 SER 0.018 0.005 5 0 "[ . 1 .]"
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 27 GLY H 1 60 CYS HG . . 15.000 8.950 6.159 10.513 . 0 0 "[ . 1 .]" 1
2 1 20 PHE QR 1 68 GLY H . . 5.130 4.458 4.108 4.761 . 0 0 "[ . 1 .]" 1
3 1 20 PHE QR 1 68 GLY QA . . 4.150 4.198 4.190 4.215 0.065 5 0 "[ . 1 .]" 1
4 1 16 LEU HA 1 71 PHE QB . . 4.240 3.750 3.119 4.235 . 0 0 "[ . 1 .]" 1
5 1 12 ILE MG 1 72 TYR QR . . 4.500 4.171 3.556 4.505 0.005 10 0 "[ . 1 .]" 1
6 1 31 VAL QG 1 52 PHE QR . . 3.480 2.754 1.797 3.728 0.248 9 0 "[ . 1 .]" 1
7 1 20 PHE QR 1 64 SER QB . . 5.000 4.066 3.294 5.000 . 0 0 "[ . 1 .]" 1
8 1 13 ASP QB 1 72 TYR QE . . 4.500 4.487 4.406 4.514 0.014 3 0 "[ . 1 .]" 1
9 1 63 PHE QR 1 87 VAL MG2 . . 3.500 3.531 3.509 3.561 0.061 12 0 "[ . 1 .]" 1
10 1 69 LEU QD 1 80 LYS QG . . 3.810 2.667 2.356 3.218 . 0 0 "[ . 1 .]" 1
11 1 51 TYR QE 1 95 LEU QD . . 3.500 3.499 3.492 3.506 0.006 7 0 "[ . 1 .]" 1
12 1 51 TYR QE 1 98 ILE QG . . 3.500 3.451 2.932 3.515 0.015 13 0 "[ . 1 .]" 1
13 1 47 GLY H 1 102 ILE MD . . 4.000 3.444 2.248 4.009 0.009 6 0 "[ . 1 .]" 1
14 1 63 PHE QR 1 84 SER QB . . 4.380 2.138 1.768 2.559 . 0 0 "[ . 1 .]" 1
15 1 95 LEU QD 1 116 MET ME . . 3.500 3.215 2.656 3.503 0.003 2 0 "[ . 1 .]" 1
16 1 88 LEU QD 1 123 VAL MG1 . . 2.560 2.517 2.092 2.565 0.005 13 0 "[ . 1 .]" 1
17 1 96 LYS QG 1 116 MET ME . . 3.130 3.121 3.005 3.135 0.005 12 0 "[ . 1 .]" 1
18 1 96 LYS QE 1 116 MET ME . . 3.060 2.752 2.361 3.046 . 0 0 "[ . 1 .]" 1
19 1 92 THR MG 1 116 MET ME . . 3.500 3.410 3.150 3.503 0.003 12 0 "[ . 1 .]" 1
20 1 23 ILE QG 1 122 PHE QD . . 4.200 3.838 3.046 4.178 . 0 0 "[ . 1 .]" 1
21 1 12 ILE MD 1 133 VAL MG1 . . 3.000 2.954 2.705 3.004 0.004 12 0 "[ . 1 .]" 1
22 1 41 GLN HE22 1 111 LEU QD . . 3.980 3.089 1.973 3.975 . 0 0 "[ . 1 .]" 1
23 1 41 GLN HE22 1 108 ALA MB . . 4.940 3.414 2.054 4.777 . 0 0 "[ . 1 .]" 1
24 1 41 GLN HG3 1 108 ALA MB . . 3.230 2.555 1.881 3.226 . 0 0 "[ . 1 .]" 1
25 1 33 ALA MB 1 115 TYR QB . . 4.220 4.063 3.359 4.222 0.002 10 0 "[ . 1 .]" 1
26 1 19 VAL QG 1 125 SER QB . . 2.730 2.716 2.622 2.737 0.007 14 0 "[ . 1 .]" 1
27 1 19 VAL HB 1 129 ILE MD . . 2.900 2.813 2.543 2.909 0.009 7 0 "[ . 1 .]" 1
28 1 19 VAL QG 1 129 ILE HB . . 4.160 3.003 1.941 3.843 . 0 0 "[ . 1 .]" 1
29 1 15 ILE MG 1 129 ILE HB . . 4.160 4.052 3.785 4.169 0.009 4 0 "[ . 1 .]" 1
30 1 37 ILE QG 1 115 TYR QE . . 4.500 2.366 2.006 3.023 . 0 0 "[ . 1 .]" 1
31 1 26 ILE MG 1 118 PHE QR . . 4.500 4.223 2.843 4.534 0.034 14 0 "[ . 1 .]" 1
32 1 26 ILE MD 1 118 PHE QR . . 3.670 2.362 1.858 3.493 . 0 0 "[ . 1 .]" 1
33 1 37 ILE MG 1 108 ALA MB . . 4.500 2.601 1.829 3.509 . 0 0 "[ . 1 .]" 1
34 1 19 VAL QG 1 122 PHE QR . . 3.830 3.837 3.527 4.203 0.373 9 0 "[ . 1 .]" 1
35 1 43 GLY H 1 105 THR MG . . 4.000 3.747 2.038 4.000 0.000 5 0 "[ . 1 .]" 1
36 1 30 SER HA 1 115 TYR QR . . 4.030 3.956 3.390 4.027 . 0 0 "[ . 1 .]" 1
37 1 48 GLY H 1 51 TYR QR . . 4.670 4.544 3.846 4.679 0.009 13 0 "[ . 1 .]" 1
38 1 48 GLY H 1 51 TYR QB . . 3.790 3.202 2.963 3.488 . 0 0 "[ . 1 .]" 1
39 1 48 GLY H 1 50 LEU QD . . 4.000 4.014 4.001 4.048 0.048 13 0 "[ . 1 .]" 1
40 1 114 LYS QE 1 115 TYR H . . 4.330 3.793 3.100 4.295 . 0 0 "[ . 1 .]" 1
41 1 114 LYS QE 1 118 PHE QR . . 4.010 3.797 3.367 4.018 0.008 6 0 "[ . 1 .]" 1
42 1 114 LYS QE 1 115 TYR QR . . 4.090 3.045 2.181 3.534 . 0 0 "[ . 1 .]" 1
43 1 111 LEU QD 1 115 TYR QR . . 3.980 2.477 1.934 3.869 . 0 0 "[ . 1 .]" 1
44 1 111 LEU QD 1 114 LYS QE . . 3.720 3.577 3.302 3.719 . 0 0 "[ . 1 .]" 1
45 1 36 LEU H 1 37 ILE HA . . 4.930 5.111 5.080 5.179 0.249 5 0 "[ . 1 .]" 1
46 1 130 THR HA 1 132 GLU H . . 3.420 3.486 3.484 3.488 0.068 2 0 "[ . 1 .]" 1
47 1 9 ALA H 1 12 ILE MD . . 4.540 4.475 4.381 4.500 . 0 0 "[ . 1 .]" 1
48 1 108 ALA MB 1 111 LEU H . . 4.430 4.332 4.167 4.431 0.001 12 0 "[ . 1 .]" 1
49 1 134 ILE QG 1 135 ASN H . . 4.060 2.999 2.060 4.141 0.081 8 0 "[ . 1 .]" 1
50 1 92 THR MG 1 96 LYS QE . . 3.310 2.826 1.963 3.256 . 0 0 "[ . 1 .]" 1
51 1 35 ARG HE 1 38 GLU QG . . 5.000 3.959 2.707 5.032 0.032 13 0 "[ . 1 .]" 1
52 1 118 PHE HA 1 119 THR H . . 3.930 3.522 3.484 3.569 . 0 0 "[ . 1 .]" 1
53 1 70 VAL HA 1 71 PHE H . . 3.760 3.500 3.490 3.546 . 0 0 "[ . 1 .]" 1
54 1 55 ASN HA 1 56 VAL H . . 3.980 3.455 3.452 3.456 . 0 0 "[ . 1 .]" 1
55 1 126 SER HA 1 127 ILE H . . 4.030 3.542 3.429 3.568 . 0 0 "[ . 1 .]" 1
56 1 91 LEU HA 1 92 THR H . . 3.690 3.551 3.543 3.557 . 0 0 "[ . 1 .]" 1
57 1 19 VAL HA 1 20 PHE H . . 4.460 3.476 3.474 3.478 . 0 0 "[ . 1 .]" 1
58 1 77 SER HA 1 78 GLY H . . 3.600 3.402 3.370 3.411 . 0 0 "[ . 1 .]" 1
59 1 123 VAL HA 1 124 GLU H . . 4.650 3.460 3.447 3.486 . 0 0 "[ . 1 .]" 1
60 1 15 ILE HA 1 16 LEU H . . 4.400 3.462 3.458 3.482 . 0 0 "[ . 1 .]" 1
61 1 112 ILE HA 1 113 GLY H . . 3.750 3.462 3.456 3.473 . 0 0 "[ . 1 .]" 1
62 1 49 PRO HA 1 50 LEU H . . 3.820 3.403 3.395 3.406 . 0 0 "[ . 1 .]" 1
63 1 84 SER HA 1 85 LYS H . . 3.460 3.462 3.429 3.472 0.012 4 0 "[ . 1 .]" 1
64 1 36 LEU HA 1 37 ILE H . . 3.510 3.521 3.510 3.531 0.021 15 0 "[ . 1 .]" 1
65 1 54 VAL HA 1 55 ASN H . . 3.910 3.497 3.478 3.542 . 0 0 "[ . 1 .]" 1
66 1 66 LEU HA 1 67 THR H . . 3.720 3.515 3.495 3.547 . 0 0 "[ . 1 .]" 1
67 1 99 VAL HA 1 100 GLU H . . 4.370 3.432 3.426 3.449 . 0 0 "[ . 1 .]" 1
68 1 69 LEU HA 1 70 VAL H . . 3.560 3.363 3.339 3.438 . 0 0 "[ . 1 .]" 1
69 1 101 LEU HA 1 102 ILE H . . 3.810 3.492 2.448 3.569 . 0 0 "[ . 1 .]" 1
70 1 96 LYS HA 1 97 LYS H . . 4.290 3.494 3.450 3.529 . 0 0 "[ . 1 .]" 1
71 1 110 PRO HA 1 111 LEU H . . 4.420 3.473 3.422 3.535 . 0 0 "[ . 1 .]" 1
72 1 30 SER HA 1 31 VAL H . . 3.890 3.430 3.409 3.506 . 0 0 "[ . 1 .]" 1
73 1 97 LYS HA 1 98 ILE H . . 3.720 3.368 3.348 3.371 . 0 0 "[ . 1 .]" 1
74 1 120 LYS HA 1 121 GLU H . . 4.150 3.510 3.443 3.559 . 0 0 "[ . 1 .]" 1
75 1 134 ILE HA 1 135 ASN H . . 4.020 3.456 3.446 3.493 . 0 0 "[ . 1 .]" 1
76 1 137 HIS HA 1 138 HIS H . . 3.630 3.449 3.292 3.549 . 0 0 "[ . 1 .]" 1
77 1 12 ILE HA 1 13 ASP H . . 3.770 3.479 3.478 3.480 . 0 0 "[ . 1 .]" 1
78 1 108 ALA HA 1 109 VAL H . . 4.010 3.412 3.406 3.456 . 0 0 "[ . 1 .]" 1
79 1 69 LEU HG 1 80 LYS QG . . 2.660 2.675 2.665 2.684 0.024 7 0 "[ . 1 .]" 1
80 1 57 ILE HA 1 60 CYS HB3 . . 4.410 3.294 2.965 3.556 . 0 0 "[ . 1 .]" 1
81 1 80 LYS HA 1 83 GLU QB . . 3.320 2.854 2.512 3.321 0.001 2 0 "[ . 1 .]" 1
82 1 90 SER HA 1 93 GLU QB . . 3.480 2.913 2.840 3.025 . 0 0 "[ . 1 .]" 1
83 1 118 PHE HA 1 121 GLU HB3 . . 4.110 3.770 3.489 4.110 . 0 0 "[ . 1 .]" 1
84 1 81 MET HA 1 84 SER QB . . 3.010 2.912 2.547 3.012 0.002 11 0 "[ . 1 .]" 1
85 1 130 THR HA 1 133 VAL HB . . 3.390 2.927 2.860 2.996 . 0 0 "[ . 1 .]" 1
86 1 51 TYR HA 1 54 VAL HB . . 3.610 2.210 1.997 2.335 . 0 0 "[ . 1 .]" 1
87 1 85 LYS HA 1 88 LEU QB . . 4.020 3.483 2.997 3.846 . 0 0 "[ . 1 .]" 1
88 1 68 GLY QA 1 71 PHE QB . . 4.190 3.209 3.029 3.337 . 0 0 "[ . 1 .]" 1
89 1 108 ALA HA 1 111 LEU HB3 . . 4.160 3.072 2.698 3.791 . 0 0 "[ . 1 .]" 1
90 1 110 PRO HA 1 113 GLY H . . 4.080 3.685 3.397 3.815 . 0 0 "[ . 1 .]" 1
91 1 67 THR HA 1 70 VAL HB . . 3.280 3.328 3.295 3.359 0.079 7 0 "[ . 1 .]" 1
92 1 95 LEU HA 1 98 ILE HB . . 3.740 3.098 2.691 3.266 . 0 0 "[ . 1 .]" 1
93 1 70 VAL HA 1 74 PRO HA . . 3.070 2.947 2.525 3.077 0.007 10 0 "[ . 1 .]" 1
94 1 59 PRO HA 1 62 LYS QB . . 3.500 3.465 3.277 3.504 0.004 8 0 "[ . 1 .]" 1
95 1 21 ASP HA 1 24 CYS QB . . 3.510 3.265 2.964 3.501 . 0 0 "[ . 1 .]" 1
96 1 110 PRO QB 1 111 LEU H . . 4.740 3.370 3.146 3.515 . 0 0 "[ . 1 .]" 1
97 1 9 ALA HA 1 10 MET H . . 3.560 3.557 3.556 3.563 0.003 15 0 "[ . 1 .]" 1
98 1 9 ALA HA 1 13 ASP H . . 4.470 3.747 3.745 3.759 . 0 0 "[ . 1 .]" 1
99 1 10 MET HA 1 13 ASP H . . 3.900 3.923 3.914 3.925 0.025 12 0 "[ . 1 .]" 1
100 1 9 ALA H 1 10 MET HA . . 4.510 4.518 4.516 4.543 0.033 15 0 "[ . 1 .]" 1
101 1 10 MET QB 1 12 ILE H . . 4.560 4.354 4.346 4.418 . 0 0 "[ . 1 .]" 1
102 1 12 ILE HA 1 15 ILE H . . 4.040 3.446 3.064 3.685 . 0 0 "[ . 1 .]" 1
103 1 11 VAL H 1 12 ILE HB . . 4.180 4.256 4.251 4.257 0.077 2 0 "[ . 1 .]" 1
104 1 11 VAL H 1 12 ILE MG . . 4.570 4.110 4.108 4.124 . 0 0 "[ . 1 .]" 1
105 1 11 VAL H 1 13 ASP H . . 4.240 3.930 3.928 3.931 . 0 0 "[ . 1 .]" 1
106 1 17 LYS HA 1 19 VAL H . . 4.400 4.363 4.323 4.376 . 0 0 "[ . 1 .]" 1
107 1 20 PHE QD 1 24 CYS H . . 4.480 4.447 4.194 4.481 0.001 12 0 "[ . 1 .]" 1
108 1 20 PHE H 1 21 ASP HA . . 4.900 4.961 4.956 4.970 0.070 13 0 "[ . 1 .]" 1
109 1 17 LYS HA 1 21 ASP QB . . 4.100 4.121 4.115 4.127 0.027 1 0 "[ . 1 .]" 1
110 1 22 LYS HA 1 22 LYS QE . . 2.560 2.310 1.915 2.598 0.038 15 0 "[ . 1 .]" 1
111 1 22 LYS HA 1 23 ILE H . . 4.030 3.523 3.500 3.548 . 0 0 "[ . 1 .]" 1
112 1 26 ILE HA 1 27 GLY H . . 3.540 3.469 3.430 3.492 . 0 0 "[ . 1 .]" 1
113 1 25 LYS H 1 26 ILE H . . 4.230 2.673 2.426 2.989 . 0 0 "[ . 1 .]" 1
114 1 30 SER HA 1 33 ALA H . . 3.500 3.367 3.199 3.501 0.001 13 0 "[ . 1 .]" 1
115 1 31 VAL HA 1 32 GLU H . . 3.320 3.432 3.430 3.434 0.114 10 0 "[ . 1 .]" 1
116 1 31 VAL HB 1 32 GLU HA . . 4.460 4.367 4.258 4.406 . 0 0 "[ . 1 .]" 1
117 1 30 SER HA 1 32 GLU H . . 4.400 3.612 3.483 3.762 . 0 0 "[ . 1 .]" 1
118 1 32 GLU H 1 34 GLY H . . 3.370 3.552 3.502 3.606 0.236 6 0 "[ . 1 .]" 1
119 1 32 GLU QB 1 36 LEU H . . 4.530 4.650 4.628 4.666 0.136 4 0 "[ . 1 .]" 1
120 1 33 ALA H 1 35 ARG H . . 4.370 4.470 4.421 4.518 0.148 6 0 "[ . 1 .]" 1
121 1 33 ALA H 1 34 GLY QA . . 4.530 4.576 4.559 4.599 0.069 13 0 "[ . 1 .]" 1
122 1 35 ARG HA 1 35 ARG HE . . 4.160 2.661 1.940 3.846 . 0 0 "[ . 1 .]" 1
123 1 35 ARG HA 1 36 LEU H . . 4.180 3.442 3.424 3.466 . 0 0 "[ . 1 .]" 1
124 1 35 ARG QD 1 38 GLU QB . . 4.190 4.235 4.122 4.368 0.178 15 0 "[ . 1 .]" 1
125 1 33 ALA H 1 36 LEU H . . 4.710 4.695 4.679 4.717 0.007 15 0 "[ . 1 .]" 1
126 1 34 GLY QA 1 37 ILE H . . 4.380 3.804 3.784 3.848 . 0 0 "[ . 1 .]" 1
127 1 37 ILE MG 1 41 GLN HE21 . . 3.450 2.524 2.050 3.379 . 0 0 "[ . 1 .]" 1
128 1 40 SER H 1 41 GLN QG . . 3.940 3.951 3.937 3.971 0.031 9 0 "[ . 1 .]" 1
129 1 35 ARG HA 1 39 LEU H . . 3.720 3.642 3.554 3.759 0.039 5 0 "[ . 1 .]" 1
130 1 37 ILE H 1 39 LEU H . . 5.110 4.284 4.111 4.461 . 0 0 "[ . 1 .]" 1
131 1 39 LEU QD 1 40 SER H . . 3.860 3.888 3.859 3.964 0.104 9 0 "[ . 1 .]" 1
132 1 40 SER QB 1 42 GLU H . . 4.690 4.703 4.690 4.741 0.051 9 0 "[ . 1 .]" 1
133 1 37 ILE MG 1 41 GLN HE22 . . 3.900 3.611 3.281 3.902 0.002 14 0 "[ . 1 .]" 1
134 1 40 SER H 1 41 GLN QB . . 5.080 4.895 4.391 5.090 0.010 7 0 "[ . 1 .]" 1
135 1 41 GLN QB 1 43 GLY H . . 4.810 3.525 3.328 4.161 . 0 0 "[ . 1 .]" 1
136 1 42 GLU HA 1 44 GLY H . . 4.210 4.080 3.672 4.212 0.002 10 0 "[ . 1 .]" 1
137 1 42 GLU QB 1 43 GLY H . . 4.020 3.031 2.729 3.961 . 0 0 "[ . 1 .]" 1
138 1 42 GLU QG 1 43 GLY H . . 4.260 3.722 3.217 4.325 0.065 9 0 "[ . 1 .]" 1
139 1 42 GLU H 1 43 GLY QA . . 3.600 3.563 3.520 3.714 0.114 9 0 "[ . 1 .]" 1
140 1 43 GLY H 1 43 GLY QA . . 2.400 2.248 2.208 2.276 . 0 0 "[ . 1 .]" 1
141 1 50 LEU H 1 51 TYR QB . . 4.070 4.108 4.075 4.187 0.117 13 0 "[ . 1 .]" 1
142 1 52 PHE QE 1 53 VAL H . . 4.870 4.751 4.517 4.870 0.000 14 0 "[ . 1 .]" 1
143 1 55 ASN H 1 55 ASN HD22 . . 4.490 3.940 3.865 4.472 . 0 0 "[ . 1 .]" 1
144 1 54 VAL HA 1 58 GLU H . . 4.060 3.908 3.803 3.970 . 0 0 "[ . 1 .]" 1
145 1 54 VAL H 1 54 VAL HB . . 3.370 2.316 2.263 2.376 . 0 0 "[ . 1 .]" 1
146 1 52 PHE HA 1 54 VAL H . . 4.360 4.341 4.288 4.383 0.023 4 0 "[ . 1 .]" 1
147 1 56 VAL H 1 56 VAL QG . . 2.670 2.518 2.200 2.671 0.001 1 0 "[ . 1 .]" 1
148 1 53 VAL HA 1 57 ILE HB . . 4.510 4.558 4.527 4.608 0.098 10 0 "[ . 1 .]" 1
149 1 58 GLU HA 1 61 LYS H . . 3.940 3.952 3.942 3.965 0.025 13 0 "[ . 1 .]" 1
150 1 56 VAL H 1 58 GLU H . . 4.640 3.585 3.541 3.673 . 0 0 "[ . 1 .]" 1
151 1 62 LYS H 1 63 PHE H . . 4.490 2.706 2.702 2.710 . 0 0 "[ . 1 .]" 1
152 1 60 CYS HA 1 63 PHE QB . . 3.680 2.465 2.285 2.592 . 0 0 "[ . 1 .]" 1
153 1 64 SER QB 1 66 LEU H . . 4.490 4.498 4.493 4.502 0.012 8 0 "[ . 1 .]" 1
154 1 63 PHE H 1 65 GLU H . . 4.300 4.291 4.236 4.307 0.007 10 0 "[ . 1 .]" 1
155 1 67 THR H 1 69 LEU H . . 4.120 4.066 4.022 4.122 0.002 10 0 "[ . 1 .]" 1
156 1 75 THR HA 1 76 ASP QB . . 4.350 4.378 4.363 4.426 0.076 10 0 "[ . 1 .]" 1
157 1 75 THR HB 1 76 ASP QB . . 3.740 3.509 3.433 3.748 0.008 10 0 "[ . 1 .]" 1
158 1 75 THR H 1 75 THR MG . . 3.880 3.823 3.766 3.896 0.016 10 0 "[ . 1 .]" 1
159 1 76 ASP QB 1 77 SER HA . . 4.830 4.468 4.456 4.486 . 0 0 "[ . 1 .]" 1
160 1 78 GLY H 1 79 GLU H . . 3.050 2.037 1.900 2.122 . 0 0 "[ . 1 .]" 1
161 1 76 ASP QB 1 79 GLU HA . . 3.740 3.565 3.261 3.743 0.003 7 0 "[ . 1 .]" 1
162 1 78 GLY H 1 79 GLU QB . . 3.790 3.672 3.533 3.802 0.012 10 0 "[ . 1 .]" 1
163 1 79 GLU HA 1 79 GLU QG . . 2.600 2.469 2.225 2.547 . 0 0 "[ . 1 .]" 1
164 1 80 LYS HA 1 80 LYS QE . . 4.000 3.066 2.533 3.950 . 0 0 "[ . 1 .]" 1
165 1 82 THR MG 1 85 LYS H . . 5.180 4.892 4.822 5.037 . 0 0 "[ . 1 .]" 1
166 1 82 THR H 1 83 GLU H . . 3.100 2.699 2.638 2.752 . 0 0 "[ . 1 .]" 1
167 1 86 SER HA 1 88 LEU H . . 4.400 4.041 3.860 4.272 . 0 0 "[ . 1 .]" 1
168 1 87 VAL HA 1 88 LEU H . . 3.500 3.476 3.446 3.513 0.013 13 0 "[ . 1 .]" 1
169 1 84 SER HA 1 87 VAL HB . . 3.890 3.484 2.497 3.891 0.001 11 0 "[ . 1 .]" 1
170 1 85 LYS HA 1 88 LEU HG . . 3.760 3.415 2.354 3.761 0.001 11 0 "[ . 1 .]" 1
171 1 89 LYS HA 1 89 LYS QE . . 4.100 3.478 2.371 4.029 . 0 0 "[ . 1 .]" 1
172 1 88 LEU HA 1 91 LEU HB2 . . 3.740 3.739 3.708 3.743 0.003 6 0 "[ . 1 .]" 1
173 1 90 SER H 1 91 LEU HB3 . . 4.230 4.237 4.231 4.254 0.024 8 0 "[ . 1 .]" 1
174 1 89 LYS H 1 91 LEU H . . 3.720 3.710 3.540 3.724 0.004 7 0 "[ . 1 .]" 1
175 1 92 THR MG 1 95 LEU H . . 4.490 4.505 4.497 4.524 0.034 10 0 "[ . 1 .]" 1
176 1 94 LYS HA 1 94 LYS QE . . 2.560 2.242 1.971 2.512 . 0 0 "[ . 1 .]" 1
177 1 94 LYS QB 1 95 LEU H . . 3.740 2.976 2.902 3.038 . 0 0 "[ . 1 .]" 1
178 1 94 LYS H 1 95 LEU H . . 3.750 2.344 2.337 2.424 . 0 0 "[ . 1 .]" 1
179 1 96 LYS H 1 98 ILE H . . 4.470 3.952 3.658 4.054 . 0 0 "[ . 1 .]" 1
180 1 97 LYS QB 1 100 GLU H . . 4.310 4.317 4.180 4.334 0.024 3 0 "[ . 1 .]" 1
181 1 98 ILE H 1 99 VAL H . . 4.040 2.757 2.753 2.775 . 0 0 "[ . 1 .]" 1
182 1 100 GLU H 1 101 LEU HB2 . . 4.040 4.056 4.020 4.104 0.064 9 0 "[ . 1 .]" 1
183 1 101 LEU H 1 102 ILE MD . . 4.510 4.399 3.989 4.562 0.052 11 0 "[ . 1 .]" 1
184 1 99 VAL H 1 101 LEU H . . 4.040 4.091 4.028 4.105 0.065 10 0 "[ . 1 .]" 1
185 1 107 SER H 1 109 VAL H . . 4.640 3.601 3.375 3.799 . 0 0 "[ . 1 .]" 1
186 1 107 SER QB 1 109 VAL H . . 4.520 4.481 4.330 4.521 0.001 2 0 "[ . 1 .]" 1
187 1 112 ILE QG 1 116 MET QG . . 3.310 2.955 2.022 3.310 . 10 0 "[ . 1 .]" 1
188 1 97 LYS QE 1 100 GLU HA . . 3.860 3.987 3.969 4.109 0.249 11 0 "[ . 1 .]" 1
189 1 114 LYS H 1 115 TYR H . . 2.600 2.482 2.347 2.601 0.001 6 0 "[ . 1 .]" 1
190 1 123 VAL QG 1 126 SER H . . 4.010 3.899 3.566 4.045 0.035 2 0 "[ . 1 .]" 1
191 1 127 ILE HB 1 130 THR HG1 . . 4.540 4.329 3.991 4.540 0.000 2 0 "[ . 1 .]" 1
192 1 125 SER HA 1 128 LYS QB . . 4.340 2.338 2.087 3.202 . 0 0 "[ . 1 .]" 1
193 1 135 ASN HA 1 136 THR H . . 4.000 3.476 3.433 3.510 . 0 0 "[ . 1 .]" 1
194 1 136 THR H 1 136 THR HB . . 4.000 3.376 3.283 3.431 . 0 0 "[ . 1 .]" 1
195 1 138 HIS HB2 1 139 ARG H . . 3.700 3.677 3.585 3.708 0.008 1 0 "[ . 1 .]" 1
196 1 134 ILE MD 1 138 HIS HB3 . . 3.770 3.747 3.551 3.774 0.004 5 0 "[ . 1 .]" 1
197 1 138 HIS HB3 1 139 ARG H . . 3.340 2.625 2.313 3.346 0.006 1 0 "[ . 1 .]" 1
198 1 139 ARG H 1 139 ARG QD . . 3.340 3.317 3.184 3.393 0.053 1 0 "[ . 1 .]" 1
199 1 57 ILE MG 1 60 CYS HB2 . . 3.250 3.188 2.815 3.268 0.018 13 0 "[ . 1 .]" 1
200 1 10 MET HA 1 12 ILE H . . 4.960 4.302 4.298 4.304 . 0 0 "[ . 1 .]" 1
201 1 134 ILE HA 1 136 THR H . . 4.140 3.902 3.707 4.075 . 0 0 "[ . 1 .]" 1
202 1 19 VAL QG 1 20 PHE QD . . 4.140 3.606 3.511 3.830 . 0 0 "[ . 1 .]" 1
203 1 8 HIS H 1 8 HIS QB . . 3.700 2.928 2.291 3.446 . 0 0 "[ . 1 .]" 1
204 1 8 HIS HA 1 8 HIS QB . . 2.640 2.283 2.154 2.450 . 0 0 "[ . 1 .]" 1
205 1 8 HIS HA 1 9 ALA H . . 3.320 2.154 2.141 2.164 . 0 0 "[ . 1 .]" 1
206 1 8 HIS HA 1 9 ALA HA . . 4.610 4.362 4.349 4.407 . 0 0 "[ . 1 .]" 1
207 1 8 HIS QB 1 8 HIS HD2 . . 3.350 2.782 2.628 3.225 . 0 0 "[ . 1 .]" 1
208 1 8 HIS QB 1 9 ALA H . . 3.540 3.502 3.268 3.544 0.004 6 0 "[ . 1 .]" 1
209 1 8 HIS QB 1 9 ALA MB . . 4.380 4.291 4.220 4.381 0.001 12 0 "[ . 1 .]" 1
210 1 9 ALA HA 1 12 ILE H . . 4.410 3.839 3.816 3.842 . 0 0 "[ . 1 .]" 1
211 1 9 ALA MB 1 10 MET H . . 3.920 2.531 2.492 2.543 . 0 0 "[ . 1 .]" 1
212 1 9 ALA MB 1 10 MET QG . . 4.000 3.310 2.954 3.993 . 0 0 "[ . 1 .]" 1
213 1 9 ALA MB 1 11 VAL H . . 4.690 4.496 4.453 4.504 . 0 0 "[ . 1 .]" 1
214 1 9 ALA MB 1 13 ASP H . . 4.710 4.743 4.737 4.744 0.034 1 0 "[ . 1 .]" 1
215 1 9 ALA MB 1 13 ASP QB . . 4.810 4.236 4.166 4.452 . 0 0 "[ . 1 .]" 1
216 1 10 MET H 1 10 MET QB . . 3.440 2.350 2.155 2.687 . 0 0 "[ . 1 .]" 1
217 1 10 MET H 1 10 MET ME . . 3.760 3.337 2.697 3.850 0.090 15 0 "[ . 1 .]" 1
218 1 10 MET H 1 10 MET QG . . 3.550 2.726 1.947 3.496 . 0 0 "[ . 1 .]" 1
219 1 10 MET H 1 11 VAL H . . 3.920 2.471 2.468 2.491 . 0 0 "[ . 1 .]" 1
220 1 10 MET H 1 11 VAL QG . . 4.670 3.610 3.486 3.760 . 0 0 "[ . 1 .]" 1
221 1 10 MET HA 1 10 MET ME . . 3.500 2.855 1.950 3.487 . 0 0 "[ . 1 .]" 1
222 1 10 MET HA 1 10 MET QG . . 3.360 2.561 2.083 3.222 . 0 0 "[ . 1 .]" 1
223 1 10 MET HA 1 11 VAL H . . 3.520 3.546 3.544 3.547 0.027 3 0 "[ . 1 .]" 1
224 1 10 MET HA 1 13 ASP QB . . 3.840 3.274 3.175 3.351 . 0 0 "[ . 1 .]" 1
225 1 10 MET ME 1 10 MET QG . . 2.930 2.128 1.966 2.538 . 0 0 "[ . 1 .]" 1
226 1 10 MET QG 1 11 VAL H . . 4.700 4.150 3.555 4.447 . 0 0 "[ . 1 .]" 1
227 1 10 MET QG 1 11 VAL QG . . 4.780 4.250 3.786 4.477 . 0 0 "[ . 1 .]" 1
228 1 11 VAL H 1 11 VAL HB . . 3.630 3.159 2.799 3.646 0.016 10 0 "[ . 1 .]" 1
229 1 11 VAL H 1 11 VAL QG . . 3.010 2.000 1.903 2.120 . 0 0 "[ . 1 .]" 1
230 1 11 VAL H 1 12 ILE H . . 3.970 2.258 2.257 2.259 . 0 0 "[ . 1 .]" 1
231 1 11 VAL HA 1 14 HIS QB . . 4.260 3.064 2.697 4.152 . 0 0 "[ . 1 .]" 1
232 1 11 VAL HB 1 11 VAL MG2 . . 2.400 2.111 2.085 2.126 . 0 0 "[ . 1 .]" 1
233 1 11 VAL HB 1 14 HIS H . . 5.500 5.436 5.256 5.501 0.001 13 0 "[ . 1 .]" 1
234 1 12 ILE H 1 12 ILE HB . . 4.120 2.408 2.401 2.409 . 0 0 "[ . 1 .]" 1
235 1 12 ILE H 1 12 ILE QG . . 4.210 4.057 4.053 4.059 . 0 0 "[ . 1 .]" 1
236 1 12 ILE H 1 12 ILE MG . . 3.660 2.450 2.448 2.463 . 0 0 "[ . 1 .]" 1
237 1 12 ILE H 1 13 ASP H . . 3.940 2.345 2.344 2.346 . 0 0 "[ . 1 .]" 1
238 1 12 ILE H 1 13 ASP QB . . 4.770 4.096 4.014 4.145 . 0 0 "[ . 1 .]" 1
239 1 12 ILE HA 1 12 ILE MD . . 2.760 2.760 2.760 2.761 0.001 9 0 "[ . 1 .]" 1
240 1 12 ILE HA 1 12 ILE MG . . 3.660 3.159 3.157 3.160 . 0 0 "[ . 1 .]" 1
241 1 12 ILE HB 1 12 ILE MD . . 2.650 2.158 2.110 2.210 . 0 0 "[ . 1 .]" 1
242 1 12 ILE QG 1 13 ASP H . . 4.110 4.244 4.243 4.253 0.143 15 0 "[ . 1 .]" 1
243 1 12 ILE QG 1 12 ILE MG . . 2.630 2.077 2.073 2.080 . 0 0 "[ . 1 .]" 1
244 1 12 ILE MG 1 13 ASP H . . 2.780 2.119 2.118 2.126 . 0 0 "[ . 1 .]" 1
245 1 12 ILE MG 1 13 ASP QB . . 4.500 3.011 2.894 3.287 . 0 0 "[ . 1 .]" 1
246 1 13 ASP H 1 13 ASP QB . . 3.480 2.195 2.079 2.270 . 0 0 "[ . 1 .]" 1
247 1 13 ASP HA 1 16 LEU H . . 3.960 3.686 3.353 3.932 . 0 0 "[ . 1 .]" 1
248 1 13 ASP QB 1 14 HIS H . . 3.860 3.071 2.902 3.144 . 0 0 "[ . 1 .]" 1
249 1 14 HIS H 1 14 HIS QB . . 3.570 2.212 2.082 2.397 . 0 0 "[ . 1 .]" 1
250 1 14 HIS H 1 16 LEU H . . 4.530 3.909 3.729 4.139 . 0 0 "[ . 1 .]" 1
251 1 14 HIS QB 1 15 ILE H . . 3.900 2.710 2.211 3.031 . 0 0 "[ . 1 .]" 1
252 1 14 HIS QB 1 15 ILE QG . . 4.690 3.345 3.080 3.668 . 0 0 "[ . 1 .]" 1
253 1 14 HIS QB 1 15 ILE MG . . 5.220 5.088 5.022 5.218 . 0 0 "[ . 1 .]" 1
254 1 14 HIS QB 1 16 LEU H . . 4.960 4.498 4.349 4.716 . 0 0 "[ . 1 .]" 1
255 1 14 HIS QB 1 17 LYS H . . 5.170 4.995 4.733 5.145 . 0 0 "[ . 1 .]" 1
256 1 15 ILE H 1 15 ILE QG . . 3.620 2.014 1.925 2.213 . 0 0 "[ . 1 .]" 1
257 1 15 ILE H 1 15 ILE MG . . 4.020 3.764 3.754 3.775 . 0 0 "[ . 1 .]" 1
258 1 15 ILE H 1 16 LEU H . . 3.810 2.638 2.448 2.751 . 0 0 "[ . 1 .]" 1
259 1 16 LEU H 1 16 LEU HG . . 4.600 4.470 4.441 4.530 . 0 0 "[ . 1 .]" 1
260 1 16 LEU H 1 16 LEU QB . . 3.360 2.217 2.188 2.231 . 0 0 "[ . 1 .]" 1
261 1 16 LEU H 1 16 LEU QD . . 3.660 3.641 3.612 3.662 0.002 3 0 "[ . 1 .]" 1
262 1 16 LEU H 1 17 LYS H . . 3.800 2.814 2.704 2.932 . 0 0 "[ . 1 .]" 1
263 1 16 LEU H 1 18 CYS H . . 4.210 3.943 3.851 4.089 . 0 0 "[ . 1 .]" 1
264 1 16 LEU HA 1 16 LEU QD . . 3.910 2.622 1.958 3.190 . 0 0 "[ . 1 .]" 1
265 1 16 LEU HA 1 18 CYS H . . 4.600 3.828 3.664 3.926 . 0 0 "[ . 1 .]" 1
266 1 16 LEU HG 1 17 LYS H . . 4.500 3.834 3.386 4.313 . 0 0 "[ . 1 .]" 1
267 1 16 LEU QB 1 17 LYS H . . 3.750 2.543 2.320 2.825 . 0 0 "[ . 1 .]" 1
268 1 16 LEU QD 1 17 LYS H . . 4.090 3.217 2.308 3.940 . 0 0 "[ . 1 .]" 1
269 1 17 LYS H 1 17 LYS QB . . 3.910 2.272 2.047 2.621 . 0 0 "[ . 1 .]" 1
270 1 17 LYS H 1 17 LYS QE . . 4.850 4.441 3.555 4.808 . 0 0 "[ . 1 .]" 1
271 1 17 LYS H 1 18 CYS H . . 4.330 2.591 2.574 2.642 . 0 0 "[ . 1 .]" 1
272 1 17 LYS HA 1 17 LYS QE . . 4.730 3.950 2.404 4.538 . 0 0 "[ . 1 .]" 1
273 1 17 LYS HA 1 20 PHE H . . 4.310 3.358 3.346 3.364 . 0 0 "[ . 1 .]" 1
274 1 17 LYS HA 1 20 PHE QB . . 5.000 2.577 2.538 2.685 . 0 0 "[ . 1 .]" 1
275 1 17 LYS QB 1 18 CYS H . . 3.420 3.066 3.037 3.107 . 0 0 "[ . 1 .]" 1
276 1 17 LYS QB 1 20 PHE H . . 4.950 4.909 4.879 4.948 . 0 0 "[ . 1 .]" 1
277 1 18 CYS H 1 18 CYS QB . . 3.710 2.190 2.079 2.516 . 0 0 "[ . 1 .]" 1
278 1 18 CYS H 1 19 VAL H . . 3.960 2.479 2.459 2.485 . 0 0 "[ . 1 .]" 1
279 1 18 CYS QB 1 19 VAL H . . 3.860 2.637 2.581 2.723 . 0 0 "[ . 1 .]" 1
280 1 18 CYS QB 1 19 VAL HA . . 4.730 3.953 3.865 4.158 . 0 0 "[ . 1 .]" 1
281 1 18 CYS QB 1 21 ASP H . . 5.090 5.018 4.975 5.066 . 0 0 "[ . 1 .]" 1
282 1 19 VAL H 1 19 VAL HB . . 3.690 2.247 2.240 2.249 . 0 0 "[ . 1 .]" 1
283 1 19 VAL H 1 19 VAL MG1 . . 4.110 2.938 2.932 2.963 . 0 0 "[ . 1 .]" 1
284 1 19 VAL H 1 19 VAL MG2 . . 4.110 3.584 3.572 3.593 . 0 0 "[ . 1 .]" 1
285 1 19 VAL H 1 19 VAL QG . . 3.150 2.811 2.807 2.827 . 0 0 "[ . 1 .]" 1
286 1 19 VAL H 1 20 PHE H . . 3.960 2.278 2.278 2.279 . 0 0 "[ . 1 .]" 1
287 1 19 VAL H 1 21 ASP H . . 4.330 3.744 3.735 3.747 . 0 0 "[ . 1 .]" 1
288 1 19 VAL HB 1 19 VAL MG2 . . 2.440 2.108 2.091 2.130 . 0 0 "[ . 1 .]" 1
289 1 19 VAL HB 1 20 PHE H . . 4.010 3.524 3.502 3.529 . 0 0 "[ . 1 .]" 1
290 1 19 VAL QG 1 20 PHE H . . 3.350 2.381 2.378 2.390 . 0 0 "[ . 1 .]" 1
291 1 20 PHE H 1 20 PHE QB . . 3.370 2.225 2.145 2.248 . 0 0 "[ . 1 .]" 1
292 1 20 PHE H 1 20 PHE QD . . 4.140 4.115 4.059 4.142 0.002 14 0 "[ . 1 .]" 1
293 1 20 PHE HA 1 20 PHE QD . . 3.720 2.951 2.275 3.063 . 0 0 "[ . 1 .]" 1
294 1 20 PHE HA 1 23 ILE H . . 3.920 3.471 3.301 3.654 . 0 0 "[ . 1 .]" 1
295 1 20 PHE HA 1 23 ILE HB . . 4.280 2.750 2.312 3.265 . 0 0 "[ . 1 .]" 1
296 1 20 PHE HA 1 23 ILE MD . . 3.690 1.977 1.900 2.085 . 0 0 "[ . 1 .]" 1
297 1 19 VAL HB 1 20 PHE QB . . 4.820 4.884 4.880 4.886 0.066 11 0 "[ . 1 .]" 1
298 1 20 PHE QB 1 21 ASP H . . 3.900 3.060 3.051 3.091 . 0 0 "[ . 1 .]" 1
299 1 20 PHE QB 1 21 ASP HA . . 4.390 3.970 3.905 3.991 . 0 0 "[ . 1 .]" 1
300 1 20 PHE QB 1 23 ILE MD . . 3.770 3.587 3.443 3.766 . 0 0 "[ . 1 .]" 1
301 1 20 PHE QD 1 21 ASP H . . 4.870 4.422 4.365 4.564 . 0 0 "[ . 1 .]" 1
302 1 20 PHE QD 1 23 ILE MD . . 3.290 3.195 2.631 3.291 0.001 12 0 "[ . 1 .]" 1
303 1 20 PHE HA 1 21 ASP H . . 4.300 3.415 3.414 3.415 . 0 0 "[ . 1 .]" 1
304 1 21 ASP H 1 22 LYS H . . 4.550 2.704 2.549 2.750 . 0 0 "[ . 1 .]" 1
305 1 21 ASP H 1 23 ILE H . . 5.240 3.959 3.813 4.164 . 0 0 "[ . 1 .]" 1
306 1 21 ASP HA 1 24 CYS H . . 4.120 3.699 3.490 3.873 . 0 0 "[ . 1 .]" 1
307 1 21 ASP QB 1 22 LYS H . . 4.720 2.452 2.320 2.787 . 0 0 "[ . 1 .]" 1
308 1 22 LYS H 1 22 LYS QB . . 3.540 2.175 2.038 2.583 . 0 0 "[ . 1 .]" 1
309 1 22 LYS H 1 22 LYS QE . . 3.330 2.764 1.932 3.353 0.023 13 0 "[ . 1 .]" 1
310 1 22 LYS H 1 23 ILE H . . 3.830 2.701 2.545 2.853 . 0 0 "[ . 1 .]" 1
311 1 22 LYS H 1 24 CYS H . . 4.250 4.249 4.237 4.252 0.002 12 0 "[ . 1 .]" 1
312 1 22 LYS QB 1 22 LYS QE . . 2.400 2.277 1.925 2.414 0.014 13 0 "[ . 1 .]" 1
313 1 22 LYS QB 1 23 ILE H . . 3.450 2.701 2.458 2.843 . 0 0 "[ . 1 .]" 1
314 1 23 ILE H 1 23 ILE HB . . 3.740 2.466 2.331 2.605 . 0 0 "[ . 1 .]" 1
315 1 23 ILE H 1 23 ILE QG . . 3.670 2.227 1.938 2.517 . 0 0 "[ . 1 .]" 1
316 1 23 ILE H 1 23 ILE MG . . 3.830 3.744 3.704 3.766 . 0 0 "[ . 1 .]" 1
317 1 23 ILE HA 1 23 ILE MG . . 3.160 2.431 2.288 2.554 . 0 0 "[ . 1 .]" 1
318 1 23 ILE HB 1 24 CYS H . . 4.230 2.811 2.686 2.925 . 0 0 "[ . 1 .]" 1
319 1 23 ILE MG 1 24 CYS H . . 4.030 3.391 3.171 3.626 . 0 0 "[ . 1 .]" 1
320 1 24 CYS H 1 25 LYS H . . 3.870 2.425 2.370 2.655 . 0 0 "[ . 1 .]" 1
321 1 24 CYS HA 1 26 ILE H . . 5.220 4.972 4.727 5.104 . 0 0 "[ . 1 .]" 1
322 1 24 CYS QB 1 25 LYS H . . 4.760 2.871 2.317 3.075 . 0 0 "[ . 1 .]" 1
323 1 26 ILE H 1 26 ILE HB . . 3.760 2.511 2.217 3.616 . 0 0 "[ . 1 .]" 1
324 1 26 ILE H 1 26 ILE QG . . 4.090 3.788 2.130 4.087 . 0 0 "[ . 1 .]" 1
325 1 26 ILE H 1 26 ILE MG . . 3.370 2.412 2.018 2.714 . 0 0 "[ . 1 .]" 1
326 1 26 ILE H 1 27 GLY H . . 4.020 2.710 2.510 2.771 . 0 0 "[ . 1 .]" 1
327 1 26 ILE HA 1 26 ILE QG . . 3.980 2.576 2.135 3.346 . 0 0 "[ . 1 .]" 1
328 1 26 ILE HA 1 29 GLU QB . . 3.320 2.603 2.001 3.321 0.001 12 0 "[ . 1 .]" 1
329 1 26 ILE HA 1 29 GLU QG . . 3.300 2.760 2.147 3.246 . 0 0 "[ . 1 .]" 1
330 1 26 ILE MD 1 27 GLY H . . 5.480 4.664 2.968 5.132 . 0 0 "[ . 1 .]" 1
331 1 26 ILE QG 1 27 GLY H . . 4.640 3.872 1.999 4.343 . 0 0 "[ . 1 .]" 1
332 1 26 ILE QG 1 27 GLY QA . . 5.310 3.967 3.382 4.465 . 0 0 "[ . 1 .]" 1
333 1 26 ILE MG 1 27 GLY H . . 4.570 2.495 2.079 4.138 . 0 0 "[ . 1 .]" 1
334 1 27 GLY H 1 28 THR H . . 4.270 2.631 2.404 2.784 . 0 0 "[ . 1 .]" 1
335 1 28 THR H 1 28 THR HB . . 4.160 3.147 2.387 3.675 . 0 0 "[ . 1 .]" 1
336 1 28 THR H 1 28 THR MG . . 4.260 3.036 2.041 3.818 . 0 0 "[ . 1 .]" 1
337 1 29 GLU H 1 29 GLU QB . . 2.780 2.335 2.240 2.625 . 0 0 "[ . 1 .]" 1
338 1 29 GLU H 1 29 GLU QG . . 2.810 2.574 2.223 2.837 0.027 15 0 "[ . 1 .]" 1
339 1 29 GLU H 1 30 SER H . . 2.550 2.492 2.338 2.552 0.002 13 0 "[ . 1 .]" 1
340 1 29 GLU QB 1 30 SER H . . 3.330 2.752 2.565 3.395 0.065 15 0 "[ . 1 .]" 1
341 1 29 GLU QG 1 30 SER H . . 4.280 4.045 2.284 4.281 0.001 13 0 "[ . 1 .]" 1
342 1 30 SER H 1 30 SER QB . . 2.840 2.298 2.062 2.807 . 0 0 "[ . 1 .]" 1
343 1 30 SER H 1 31 VAL QG . . 4.190 3.620 3.366 3.812 . 0 0 "[ . 1 .]" 1
344 1 30 SER QB 1 31 VAL H . . 4.160 3.119 2.716 3.686 . 0 0 "[ . 1 .]" 1
345 1 31 VAL H 1 31 VAL HB . . 3.100 2.588 2.524 2.686 . 0 0 "[ . 1 .]" 1
346 1 31 VAL H 1 31 VAL QG . . 3.510 2.094 1.912 2.344 . 0 0 "[ . 1 .]" 1
347 1 28 THR HA 1 31 VAL HB . . 4.180 3.253 2.505 3.856 . 0 0 "[ . 1 .]" 1
348 1 32 GLU H 1 32 GLU QB . . 2.970 2.362 2.193 2.697 . 0 0 "[ . 1 .]" 1
349 1 32 GLU H 1 32 GLU QG . . 3.770 3.111 2.174 3.602 . 0 0 "[ . 1 .]" 1
350 1 32 GLU QB 1 33 ALA H . . 2.870 2.320 2.146 2.414 . 0 0 "[ . 1 .]" 1
351 1 32 GLU QB 1 33 ALA HA . . 4.300 3.739 3.725 3.748 . 0 0 "[ . 1 .]" 1
352 1 32 GLU QB 1 33 ALA MB . . 3.790 3.648 3.501 3.733 . 0 0 "[ . 1 .]" 1
353 1 32 GLU QB 1 36 LEU HB2 . . 3.980 3.945 3.873 4.008 0.028 15 0 "[ . 1 .]" 1
354 1 32 GLU QG 1 33 ALA HA . . 5.500 5.519 5.506 5.527 0.027 4 0 "[ . 1 .]" 1
355 1 33 ALA H 1 33 ALA MB . . 2.690 2.083 2.024 2.219 . 0 0 "[ . 1 .]" 1
356 1 33 ALA HA 1 36 LEU H . . 4.490 3.369 3.256 3.476 . 0 0 "[ . 1 .]" 1
357 1 33 ALA HA 1 36 LEU HB2 . . 4.000 2.378 2.224 2.608 . 0 0 "[ . 1 .]" 1
358 1 33 ALA HA 1 36 LEU QD . . 4.090 3.442 3.006 4.005 . 0 0 "[ . 1 .]" 1
359 1 33 ALA HA 1 37 ILE H . . 3.530 3.583 3.552 3.623 0.093 5 0 "[ . 1 .]" 1
360 1 33 ALA HA 1 37 ILE QG . . 4.690 4.463 3.078 4.668 . 0 0 "[ . 1 .]" 1
361 1 33 ALA MB 1 34 GLY H . . 3.300 2.964 2.854 3.026 . 0 0 "[ . 1 .]" 1
362 1 34 GLY H 1 35 ARG H . . 3.350 2.562 2.473 2.650 . 0 0 "[ . 1 .]" 1
363 1 34 GLY H 1 35 ARG QB . . 5.500 4.680 4.278 5.081 . 0 0 "[ . 1 .]" 1
364 1 34 GLY QA 1 35 ARG H . . 2.810 2.721 2.704 2.739 . 0 0 "[ . 1 .]" 1
365 1 34 GLY QA 1 35 ARG HE . . 5.500 3.946 2.250 5.401 . 0 0 "[ . 1 .]" 1
366 1 34 GLY QA 1 38 GLU QB . . 4.790 4.606 4.137 4.819 0.029 13 0 "[ . 1 .]" 1
367 1 35 ARG H 1 35 ARG HA . . 2.880 2.906 2.903 2.909 0.029 12 0 "[ . 1 .]" 1
368 1 35 ARG H 1 35 ARG HE . . 4.340 3.881 2.363 4.435 0.095 15 0 "[ . 1 .]" 1
369 1 35 ARG H 1 35 ARG QB . . 3.020 2.450 2.133 2.765 . 0 0 "[ . 1 .]" 1
370 1 35 ARG H 1 35 ARG QD . . 3.580 2.839 2.521 3.151 . 0 0 "[ . 1 .]" 1
371 1 35 ARG HA 1 35 ARG QD . . 3.980 2.294 2.127 2.624 . 0 0 "[ . 1 .]" 1
372 1 35 ARG HA 1 38 GLU H . . 3.860 3.641 3.414 3.879 0.019 15 0 "[ . 1 .]" 1
373 1 35 ARG HA 1 38 GLU QB . . 2.850 2.780 2.475 2.868 0.018 12 0 "[ . 1 .]" 1
374 1 35 ARG QB 1 35 ARG HE . . 4.110 3.513 2.087 4.161 0.051 6 0 "[ . 1 .]" 1
375 1 35 ARG QD 1 35 ARG QH1 . . 3.400 1.917 1.859 2.044 . 0 0 "[ . 1 .]" 1
376 1 35 ARG QD 1 36 LEU H . . 4.420 4.508 4.386 4.652 0.232 13 0 "[ . 1 .]" 1
377 1 36 LEU H 1 36 LEU HA . . 2.960 2.872 2.852 2.883 . 0 0 "[ . 1 .]" 1
378 1 36 LEU H 1 36 LEU HB2 . . 2.660 2.101 2.080 2.117 . 0 0 "[ . 1 .]" 1
379 1 36 LEU H 1 36 LEU HB3 . . 3.390 3.376 3.327 3.403 0.013 1 0 "[ . 1 .]" 1
380 1 36 LEU H 1 36 LEU QD . . 2.670 2.557 2.432 2.653 . 0 0 "[ . 1 .]" 1
381 1 36 LEU H 1 38 GLU QB . . 5.340 4.969 4.709 5.142 . 0 0 "[ . 1 .]" 1
382 1 36 LEU HA 1 36 LEU HB3 . . 2.780 2.746 2.728 2.782 0.002 7 0 "[ . 1 .]" 1
383 1 36 LEU HA 1 36 LEU QD . . 2.860 2.256 1.918 2.656 . 0 0 "[ . 1 .]" 1
384 1 36 LEU HB2 1 37 ILE H . . 4.350 3.006 2.936 3.069 . 0 0 "[ . 1 .]" 1
385 1 36 LEU HB3 1 36 LEU QD . . 2.890 2.227 2.108 2.363 . 0 0 "[ . 1 .]" 1
386 1 36 LEU HB3 1 37 ILE H . . 3.520 3.191 3.060 3.256 . 0 0 "[ . 1 .]" 1
387 1 37 ILE H 1 37 ILE HB . . 3.070 2.219 2.202 2.383 . 0 0 "[ . 1 .]" 1
388 1 37 ILE H 1 37 ILE QG . . 3.830 3.532 2.483 3.656 . 0 0 "[ . 1 .]" 1
389 1 37 ILE H 1 37 ILE MD . . 3.280 2.298 2.143 3.416 0.136 15 0 "[ . 1 .]" 1
390 1 37 ILE HA 1 37 ILE MD . . 2.990 2.183 1.929 2.341 . 0 0 "[ . 1 .]" 1
391 1 37 ILE HA 1 37 ILE QG . . 3.950 2.494 2.404 2.867 . 0 0 "[ . 1 .]" 1
392 1 37 ILE HA 1 38 GLU H . . 3.490 3.550 3.525 3.568 0.078 15 0 "[ . 1 .]" 1
393 1 37 ILE HB 1 38 GLU H . . 3.860 2.727 2.388 2.912 . 0 0 "[ . 1 .]" 1
394 1 37 ILE QG 1 38 GLU H . . 4.790 4.461 4.043 4.595 . 0 0 "[ . 1 .]" 1
395 1 37 ILE MG 1 38 GLU H . . 2.820 2.714 2.510 2.933 0.113 15 0 "[ . 1 .]" 1
396 1 37 ILE MG 1 38 GLU HA . . 2.980 2.895 2.808 3.043 0.063 15 0 "[ . 1 .]" 1
397 1 38 GLU H 1 38 GLU QB . . 2.860 2.336 2.053 2.508 . 0 0 "[ . 1 .]" 1
398 1 38 GLU HA 1 38 GLU QB . . 2.720 2.352 2.168 2.526 . 0 0 "[ . 1 .]" 1
399 1 38 GLU HA 1 38 GLU QG . . 2.930 2.653 2.203 2.936 0.006 3 0 "[ . 1 .]" 1
400 1 38 GLU QB 1 39 LEU H . . 2.880 2.378 2.196 2.895 0.015 3 0 "[ . 1 .]" 1
401 1 38 GLU H 1 38 GLU QG . . 3.460 2.590 2.044 3.598 0.138 7 0 "[ . 1 .]" 1
402 1 38 GLU QG 1 39 LEU H . . 3.840 3.634 2.398 4.037 0.197 15 0 "[ . 1 .]" 1
403 1 39 LEU H 1 39 LEU HA . . 2.920 2.755 2.748 2.758 . 0 0 "[ . 1 .]" 1
404 1 39 LEU H 1 39 LEU HB2 . . 2.660 2.204 2.140 2.237 . 0 0 "[ . 1 .]" 1
405 1 39 LEU H 1 39 LEU HB3 . . 3.510 3.506 3.462 3.525 0.015 15 0 "[ . 1 .]" 1
406 1 39 LEU H 1 39 LEU QD . . 2.760 1.969 1.913 2.132 . 0 0 "[ . 1 .]" 1
407 1 39 LEU HA 1 39 LEU QD . . 2.900 2.170 1.910 2.312 . 0 0 "[ . 1 .]" 1
408 1 39 LEU HB2 1 40 SER H . . 3.140 2.914 2.785 3.073 . 0 0 "[ . 1 .]" 1
409 1 39 LEU HB2 1 40 SER HA . . 5.060 4.720 4.644 4.868 . 0 0 "[ . 1 .]" 1
410 1 36 LEU HA 1 39 LEU HB3 . . 4.500 4.447 4.068 4.546 0.046 15 0 "[ . 1 .]" 1
411 1 39 LEU HA 1 39 LEU HB3 . . 2.950 2.674 2.653 2.722 . 0 0 "[ . 1 .]" 1
412 1 39 LEU HB3 1 39 LEU QD . . 3.090 2.414 2.313 2.470 . 0 0 "[ . 1 .]" 1
413 1 39 LEU HB3 1 40 SER H . . 3.390 3.362 3.005 3.416 0.026 9 0 "[ . 1 .]" 1
414 1 40 SER H 1 40 SER QB . . 2.640 2.153 2.090 2.314 . 0 0 "[ . 1 .]" 1
415 1 40 SER QB 1 41 GLN H . . 3.390 2.725 2.615 2.910 . 0 0 "[ . 1 .]" 1
416 1 41 GLN H 1 41 GLN QB . . 3.220 2.627 2.423 2.722 . 0 0 "[ . 1 .]" 1
417 1 41 GLN H 1 41 GLN QG . . 3.180 2.086 1.939 2.367 . 0 0 "[ . 1 .]" 1
418 1 41 GLN HA 1 41 GLN QE . . 4.940 3.880 2.692 4.827 . 0 0 "[ . 1 .]" 1
419 1 41 GLN HA 1 41 GLN QG . . 3.300 2.926 2.451 3.190 . 0 0 "[ . 1 .]" 1
420 1 41 GLN QB 1 41 GLN HE22 . . 4.790 4.254 3.811 4.454 . 0 0 "[ . 1 .]" 1
421 1 41 GLN HE22 1 41 GLN QG . . 3.790 3.231 3.216 3.291 . 0 0 "[ . 1 .]" 1
422 1 41 GLN QG 1 43 GLY H . . 5.350 4.685 4.314 5.417 0.067 9 0 "[ . 1 .]" 1
423 1 42 GLU H 1 42 GLU QB . . 3.480 2.956 2.588 3.177 . 0 0 "[ . 1 .]" 1
424 1 42 GLU H 1 43 GLY H . . 2.870 1.902 1.894 1.999 . 0 0 "[ . 1 .]" 1
425 1 42 GLU HA 1 42 GLU QB . . 2.560 2.319 2.171 2.498 . 0 0 "[ . 1 .]" 1
426 1 42 GLU HA 1 42 GLU QG . . 3.340 2.599 2.079 3.339 . 0 0 "[ . 1 .]" 1
427 1 42 GLU HA 1 43 GLY H . . 3.460 3.415 3.113 3.515 0.055 7 0 "[ . 1 .]" 1
428 1 42 GLU QB 1 43 GLY QA . . 4.440 4.165 3.923 4.362 . 0 0 "[ . 1 .]" 1
429 1 42 GLU QB 1 44 GLY H . . 5.210 3.335 2.145 5.212 0.002 3 0 "[ . 1 .]" 1
430 1 43 GLY H 1 44 GLY H . . 2.840 2.636 2.338 2.840 0.000 10 0 "[ . 1 .]" 1
431 1 44 GLY H 1 44 GLY QA . . 2.400 2.274 2.190 2.412 0.012 3 0 "[ . 1 .]" 1
432 1 48 GLY QA 1 50 LEU H . . 3.320 2.997 2.975 3.033 . 0 0 "[ . 1 .]" 1
433 1 48 GLY QA 1 50 LEU QB . . 4.150 4.170 4.130 4.223 0.073 13 0 "[ . 1 .]" 1
434 1 48 GLY QA 1 50 LEU QD . . 4.010 2.957 2.641 3.533 . 0 0 "[ . 1 .]" 1
435 1 49 PRO HA 1 52 PHE H . . 4.240 3.585 3.336 4.075 . 0 0 "[ . 1 .]" 1
436 1 49 PRO HA 1 52 PHE QB . . 4.440 3.231 2.621 4.175 . 0 0 "[ . 1 .]" 1
437 1 49 PRO HB2 1 50 LEU H . . 4.460 3.759 3.750 3.776 . 0 0 "[ . 1 .]" 1
438 1 49 PRO HB3 1 50 LEU H . . 4.460 4.387 4.383 4.398 . 0 0 "[ . 1 .]" 1
439 1 49 PRO QB 1 50 LEU H . . 3.720 3.556 3.549 3.570 . 0 0 "[ . 1 .]" 1
440 1 49 PRO QB 1 52 PHE H . . 5.100 4.892 4.630 5.096 . 0 0 "[ . 1 .]" 1
441 1 49 PRO QB 1 52 PHE QB . . 5.300 4.199 3.856 4.663 . 0 0 "[ . 1 .]" 1
442 1 48 GLY H 1 49 PRO QD . . 4.460 4.198 4.089 4.269 . 0 0 "[ . 1 .]" 1
443 1 50 LEU H 1 50 LEU QB . . 2.710 2.488 2.448 2.509 . 0 0 "[ . 1 .]" 1
444 1 50 LEU H 1 50 LEU QD . . 3.140 2.220 1.850 2.945 . 0 0 "[ . 1 .]" 1
445 1 50 LEU H 1 51 TYR H . . 3.250 2.418 2.372 2.497 . 0 0 "[ . 1 .]" 1
446 1 50 LEU HA 1 50 LEU QD . . 2.400 2.133 1.941 2.449 0.049 13 0 "[ . 1 .]" 1
447 1 50 LEU HA 1 51 TYR QB . . 5.500 5.176 5.123 5.208 . 0 0 "[ . 1 .]" 1
448 1 50 LEU HA 1 52 PHE QB . . 5.060 4.679 4.156 5.061 0.001 7 0 "[ . 1 .]" 1
449 1 50 LEU HA 1 54 VAL H . . 5.060 4.221 3.980 4.550 . 0 0 "[ . 1 .]" 1
450 1 50 LEU QB 1 50 LEU QD . . 2.400 1.907 1.866 1.931 . 0 0 "[ . 1 .]" 1
451 1 50 LEU QB 1 51 TYR H . . 3.140 2.869 2.552 2.960 . 0 0 "[ . 1 .]" 1
452 1 50 LEU QB 1 52 PHE H . . 5.020 4.722 4.590 4.870 . 0 0 "[ . 1 .]" 1
453 1 50 LEU QB 1 53 VAL H . . 4.950 4.849 4.363 4.959 0.009 13 0 "[ . 1 .]" 1
454 1 50 LEU QB 1 54 VAL H . . 4.940 4.570 4.141 4.941 0.001 8 0 "[ . 1 .]" 1
455 1 51 TYR H 1 51 TYR QB . . 2.720 2.106 2.054 2.187 . 0 0 "[ . 1 .]" 1
456 1 51 TYR H 1 51 TYR QD . . 4.270 3.573 3.023 4.093 . 0 0 "[ . 1 .]" 1
457 1 51 TYR HA 1 51 TYR QD . . 3.960 3.183 2.692 3.524 . 0 0 "[ . 1 .]" 1
458 1 51 TYR HA 1 54 VAL H . . 3.670 3.278 3.078 3.477 . 0 0 "[ . 1 .]" 1
459 1 51 TYR HA 1 55 ASN H . . 3.730 3.746 3.726 3.774 0.044 7 0 "[ . 1 .]" 1
460 1 51 TYR QD 1 52 PHE H . . 4.570 3.077 2.564 4.175 . 0 0 "[ . 1 .]" 1
461 1 51 TYR HA 1 52 PHE H . . 3.630 3.498 3.470 3.535 . 0 0 "[ . 1 .]" 1
462 1 52 PHE H 1 52 PHE QB . . 3.210 2.143 2.094 2.252 . 0 0 "[ . 1 .]" 1
463 1 52 PHE H 1 52 PHE QD . . 4.280 3.940 3.791 4.179 . 0 0 "[ . 1 .]" 1
464 1 52 PHE HA 1 52 PHE QD . . 3.890 3.017 2.828 3.141 . 0 0 "[ . 1 .]" 1
465 1 52 PHE HA 1 55 ASN H . . 4.070 3.721 3.645 3.871 . 0 0 "[ . 1 .]" 1
466 1 52 PHE HA 1 55 ASN QB . . 4.450 3.398 3.033 3.999 . 0 0 "[ . 1 .]" 1
467 1 52 PHE HA 1 55 ASN QD . . 4.610 3.348 1.877 4.611 0.001 3 0 "[ . 1 .]" 1
468 1 52 PHE HA 1 56 VAL H . . 5.320 4.173 4.044 4.465 . 0 0 "[ . 1 .]" 1
469 1 52 PHE QB 1 53 VAL H . . 3.720 2.718 2.162 3.031 . 0 0 "[ . 1 .]" 1
470 1 52 PHE QB 1 54 VAL H . . 4.970 4.625 4.233 4.837 . 0 0 "[ . 1 .]" 1
471 1 52 PHE QD 1 53 VAL H . . 4.310 2.798 2.457 3.244 . 0 0 "[ . 1 .]" 1
472 1 52 PHE QD 1 56 VAL HB . . 5.500 4.257 3.965 4.558 . 0 0 "[ . 1 .]" 1
473 1 53 VAL H 1 53 VAL HB . . 3.740 2.419 2.203 3.603 . 0 0 "[ . 1 .]" 1
474 1 53 VAL H 1 53 VAL QG . . 3.730 2.544 1.828 2.706 . 0 0 "[ . 1 .]" 1
475 1 53 VAL H 1 54 VAL HB . . 4.830 4.455 4.296 4.636 . 0 0 "[ . 1 .]" 1
476 1 53 VAL HA 1 56 VAL H . . 3.920 3.362 3.202 3.444 . 0 0 "[ . 1 .]" 1
477 1 53 VAL HA 1 56 VAL HB . . 4.100 2.854 2.355 3.747 . 0 0 "[ . 1 .]" 1
478 1 53 VAL HA 1 56 VAL QG . . 3.300 2.800 1.886 3.301 0.001 1 0 "[ . 1 .]" 1
479 1 53 VAL HA 1 57 ILE H . . 4.370 3.458 3.227 3.791 . 0 0 "[ . 1 .]" 1
480 1 53 VAL HB 1 54 VAL H . . 3.640 3.341 2.852 3.754 0.114 2 0 "[ . 1 .]" 1
481 1 53 VAL QG 1 54 VAL H . . 3.310 2.745 2.124 3.308 . 0 0 "[ . 1 .]" 1
482 1 53 VAL QG 1 54 VAL HA . . 3.320 3.148 2.908 3.364 0.044 2 0 "[ . 1 .]" 1
483 1 54 VAL H 1 54 VAL QG . . 2.770 2.592 2.480 2.699 . 0 0 "[ . 1 .]" 1
484 1 54 VAL HA 1 54 VAL MG1 . . 3.260 2.519 2.471 2.576 . 0 0 "[ . 1 .]" 1
485 1 54 VAL HA 1 57 ILE H . . 3.960 3.792 3.608 3.911 . 0 0 "[ . 1 .]" 1
486 1 54 VAL HA 1 57 ILE HB . . 4.470 3.252 3.053 3.378 . 0 0 "[ . 1 .]" 1
487 1 54 VAL HB 1 55 ASN H . . 3.950 2.920 2.680 2.965 . 0 0 "[ . 1 .]" 1
488 1 54 VAL QG 1 55 ASN H . . 3.310 3.173 2.968 3.295 . 0 0 "[ . 1 .]" 1
489 1 54 VAL QG 1 55 ASN HA . . 3.330 3.257 3.121 3.338 0.008 14 0 "[ . 1 .]" 1
490 1 55 ASN H 1 55 ASN HD21 . . 4.610 2.336 2.168 3.090 . 0 0 "[ . 1 .]" 1
491 1 55 ASN H 1 55 ASN QB . . 3.310 2.273 2.136 2.360 . 0 0 "[ . 1 .]" 1
492 1 55 ASN HA 1 55 ASN QD . . 4.570 3.288 2.633 4.186 . 0 0 "[ . 1 .]" 1
493 1 55 ASN HA 1 58 GLU H . . 4.730 3.643 3.536 3.705 . 0 0 "[ . 1 .]" 1
494 1 55 ASN QB 1 56 VAL H . . 3.930 3.200 2.943 3.545 . 0 0 "[ . 1 .]" 1
495 1 56 VAL H 1 56 VAL HB . . 3.300 2.389 2.304 2.566 . 0 0 "[ . 1 .]" 1
496 1 56 VAL H 1 57 ILE HB . . 4.610 4.558 4.442 4.633 0.023 2 0 "[ . 1 .]" 1
497 1 56 VAL H 1 57 ILE QG . . 4.220 4.092 4.055 4.201 . 0 0 "[ . 1 .]" 1
498 1 56 VAL HA 1 56 VAL QG . . 3.090 2.120 2.067 2.157 . 0 0 "[ . 1 .]" 1
499 1 56 VAL HA 1 58 GLU H . . 4.450 4.198 4.131 4.322 . 0 0 "[ . 1 .]" 1
500 1 56 VAL HA 1 60 CYS H . . 4.930 4.854 4.750 4.941 0.011 13 0 "[ . 1 .]" 1
501 1 56 VAL HB 1 57 ILE H . . 4.050 3.049 2.614 3.906 . 0 0 "[ . 1 .]" 1
502 1 56 VAL QG 1 57 ILE H . . 4.100 2.666 2.076 2.971 . 0 0 "[ . 1 .]" 1
503 1 57 ILE H 1 57 ILE HB . . 3.750 2.467 2.420 2.501 . 0 0 "[ . 1 .]" 1
504 1 57 ILE H 1 57 ILE MD . . 3.890 3.609 3.403 3.876 . 0 0 "[ . 1 .]" 1
505 1 57 ILE H 1 57 ILE QG . . 3.630 2.355 2.208 2.596 . 0 0 "[ . 1 .]" 1
506 1 57 ILE H 1 58 GLU H . . 3.810 2.384 2.227 2.462 . 0 0 "[ . 1 .]" 1
507 1 57 ILE HA 1 57 ILE QG . . 3.080 2.732 2.381 2.879 . 0 0 "[ . 1 .]" 1
508 1 57 ILE HB 1 58 GLU H . . 4.220 3.041 3.001 3.079 . 0 0 "[ . 1 .]" 1
509 1 57 ILE QG 1 58 GLU H . . 4.260 4.182 4.138 4.242 . 0 0 "[ . 1 .]" 1
510 1 57 ILE MG 1 58 GLU H . . 3.870 3.716 3.618 3.794 . 0 0 "[ . 1 .]" 1
511 1 58 GLU H 1 58 GLU QB . . 3.410 2.065 2.056 2.081 . 0 0 "[ . 1 .]" 1
512 1 58 GLU H 1 58 GLU QG . . 4.000 3.237 3.133 3.326 . 0 0 "[ . 1 .]" 1
513 1 58 GLU H 1 60 CYS H . . 4.240 3.944 3.856 4.009 . 0 0 "[ . 1 .]" 1
514 1 60 CYS H 1 61 LYS H . . 3.940 2.598 2.576 2.618 . 0 0 "[ . 1 .]" 1
515 1 60 CYS H 1 61 LYS QB . . 4.520 4.522 4.521 4.526 0.006 8 0 "[ . 1 .]" 1
516 1 60 CYS HA 1 61 LYS H . . 3.520 3.498 3.484 3.534 0.014 3 0 "[ . 1 .]" 1
517 1 60 CYS HA 1 63 PHE H . . 3.390 3.382 3.334 3.405 0.015 3 0 "[ . 1 .]" 1
518 1 61 LYS H 1 61 LYS QB . . 3.820 2.343 2.309 2.423 . 0 0 "[ . 1 .]" 1
519 1 61 LYS H 1 62 LYS H . . 3.920 2.931 2.880 2.972 . 0 0 "[ . 1 .]" 1
520 1 61 LYS QB 1 64 SER H . . 4.500 4.527 4.512 4.542 0.042 2 0 "[ . 1 .]" 1
521 1 63 PHE H 1 63 PHE QB . . 3.490 2.194 2.105 2.309 . 0 0 "[ . 1 .]" 1
522 1 63 PHE H 1 63 PHE QD . . 4.420 3.888 3.549 4.221 . 0 0 "[ . 1 .]" 1
523 1 63 PHE HA 1 63 PHE QD . . 4.070 3.088 2.877 3.214 . 0 0 "[ . 1 .]" 1
524 1 63 PHE HA 1 66 LEU H . . 4.150 3.304 3.006 3.547 . 0 0 "[ . 1 .]" 1
525 1 63 PHE HA 1 66 LEU HG . . 3.880 2.111 1.997 2.416 . 0 0 "[ . 1 .]" 1
526 1 63 PHE QB 1 64 SER H . . 3.990 3.043 2.916 3.182 . 0 0 "[ . 1 .]" 1
527 1 63 PHE QD 1 64 SER H . . 4.320 3.696 3.039 4.324 0.004 3 0 "[ . 1 .]" 1
528 1 63 PHE QD 1 66 LEU H . . 5.360 4.481 4.149 4.739 . 0 0 "[ . 1 .]" 1
529 1 63 PHE QD 1 66 LEU HG . . 4.430 3.768 2.959 4.431 0.001 11 0 "[ . 1 .]" 1
530 1 63 PHE QR 1 67 THR MG . . 4.200 3.690 2.514 4.685 0.485 7 0 "[ . 1 .]" 1
531 1 64 SER H 1 64 SER QB . . 3.350 2.170 2.049 2.504 . 0 0 "[ . 1 .]" 1
532 1 64 SER H 1 66 LEU H . . 4.270 4.073 3.972 4.224 . 0 0 "[ . 1 .]" 1
533 1 64 SER HA 1 66 LEU H . . 4.400 3.944 3.711 4.130 . 0 0 "[ . 1 .]" 1
534 1 65 GLU H 1 65 GLU QB . . 3.200 2.468 2.339 2.579 . 0 0 "[ . 1 .]" 1
535 1 65 GLU H 1 65 GLU QG . . 3.040 2.224 1.955 2.535 . 0 0 "[ . 1 .]" 1
536 1 65 GLU H 1 66 LEU H . . 2.700 2.612 2.437 2.707 0.007 8 0 "[ . 1 .]" 1
537 1 65 GLU HA 1 65 GLU QG . . 2.740 2.457 2.283 2.585 . 0 0 "[ . 1 .]" 1
538 1 65 GLU HA 1 68 GLY H . . 3.580 3.582 3.499 3.594 0.014 4 0 "[ . 1 .]" 1
539 1 65 GLU QB 1 66 LEU H . . 3.140 2.885 2.817 2.955 . 0 0 "[ . 1 .]" 1
540 1 65 GLU QG 1 66 LEU H . . 4.300 4.134 3.932 4.291 . 0 0 "[ . 1 .]" 1
541 1 66 LEU H 1 66 LEU HA . . 2.830 2.834 2.817 2.854 0.024 10 0 "[ . 1 .]" 1
542 1 66 LEU H 1 66 LEU HG . . 3.110 2.191 2.056 2.371 . 0 0 "[ . 1 .]" 1
543 1 66 LEU H 1 66 LEU QB . . 3.040 2.521 2.466 2.571 . 0 0 "[ . 1 .]" 1
544 1 66 LEU H 1 66 LEU QD . . 3.130 2.811 2.415 3.021 . 0 0 "[ . 1 .]" 1
545 1 66 LEU H 1 67 THR H . . 3.240 2.580 2.542 2.610 . 0 0 "[ . 1 .]" 1
546 1 66 LEU HA 1 66 LEU QB . . 2.710 2.320 2.301 2.343 . 0 0 "[ . 1 .]" 1
547 1 66 LEU HA 1 66 LEU QD . . 3.200 2.075 1.935 2.248 . 0 0 "[ . 1 .]" 1
548 1 66 LEU HA 1 68 GLY H . . 4.530 3.682 3.604 3.738 . 0 0 "[ . 1 .]" 1
549 1 66 LEU HG 1 67 THR H . . 4.360 4.190 4.071 4.316 . 0 0 "[ . 1 .]" 1
550 1 66 LEU QB 1 66 LEU QD . . 2.570 1.917 1.887 1.955 . 0 0 "[ . 1 .]" 1
551 1 66 LEU QB 1 67 THR H . . 3.980 2.642 2.438 2.744 . 0 0 "[ . 1 .]" 1
552 1 66 LEU QB 1 67 THR HA . . 4.690 3.863 3.839 3.896 . 0 0 "[ . 1 .]" 1
553 1 67 THR H 1 67 THR HB . . 3.740 3.063 2.482 3.619 . 0 0 "[ . 1 .]" 1
554 1 67 THR H 1 67 THR MG . . 3.650 2.980 1.934 3.756 0.106 9 0 "[ . 1 .]" 1
555 1 67 THR H 1 68 GLY H . . 3.240 2.628 2.558 2.641 . 0 0 "[ . 1 .]" 1
556 1 67 THR HA 1 69 LEU H . . 4.390 4.082 4.007 4.177 . 0 0 "[ . 1 .]" 1
557 1 67 THR HB 1 68 GLY H . . 4.270 3.641 3.085 4.271 0.001 2 0 "[ . 1 .]" 1
558 1 67 THR MG 1 68 GLY H . . 3.980 3.897 2.795 4.011 0.031 8 0 "[ . 1 .]" 1
559 1 68 GLY H 1 69 LEU H . . 3.280 2.189 2.080 2.263 . 0 0 "[ . 1 .]" 1
560 1 68 GLY H 1 69 LEU QB . . 5.340 3.866 3.771 3.933 . 0 0 "[ . 1 .]" 1
561 1 68 GLY H 1 70 VAL H . . 4.510 3.822 3.635 3.926 . 0 0 "[ . 1 .]" 1
562 1 68 GLY QA 1 69 LEU H . . 3.190 2.893 2.872 2.902 . 0 0 "[ . 1 .]" 1
563 1 69 LEU H 1 69 LEU HB2 . . 3.550 2.376 2.164 2.484 . 0 0 "[ . 1 .]" 1
564 1 69 LEU H 1 69 LEU HB3 . . 3.550 2.865 2.715 3.402 . 0 0 "[ . 1 .]" 1
565 1 69 LEU H 1 69 LEU QB . . 2.810 2.258 2.141 2.300 . 0 0 "[ . 1 .]" 1
566 1 69 LEU H 1 69 LEU QD . . 3.800 3.512 2.680 3.651 . 0 0 "[ . 1 .]" 1
567 1 69 LEU HA 1 69 LEU QD . . 2.950 2.018 1.888 2.122 . 0 0 "[ . 1 .]" 1
568 1 69 LEU HA 1 71 PHE H . . 4.730 4.344 4.276 4.676 . 0 0 "[ . 1 .]" 1
569 1 69 LEU HA 1 72 TYR QB . . 3.880 2.864 2.426 2.988 . 0 0 "[ . 1 .]" 1
570 1 69 LEU HA 1 72 TYR QD . . 4.280 4.215 3.545 4.282 0.002 7 0 "[ . 1 .]" 1
571 1 66 LEU HA 1 69 LEU HB2 . . 2.840 2.871 2.845 2.895 0.055 7 0 "[ . 1 .]" 1
572 1 69 LEU HB2 1 70 VAL H . . 4.190 3.922 3.271 4.035 . 0 0 "[ . 1 .]" 1
573 1 69 LEU HB3 1 70 VAL H . . 4.190 3.365 3.175 3.553 . 0 0 "[ . 1 .]" 1
574 1 69 LEU QB 1 70 VAL H . . 3.400 3.171 3.022 3.223 . 0 0 "[ . 1 .]" 1
575 1 69 LEU QB 1 70 VAL HA . . 4.440 4.089 3.945 4.156 . 0 0 "[ . 1 .]" 1
576 1 69 LEU QB 1 72 TYR QB . . 5.120 4.754 4.404 4.869 . 0 0 "[ . 1 .]" 1
577 1 69 LEU QD 1 72 TYR QB . . 4.100 3.381 3.000 3.616 . 0 0 "[ . 1 .]" 1
578 1 70 VAL H 1 70 VAL HB . . 3.610 2.301 2.259 2.337 . 0 0 "[ . 1 .]" 1
579 1 70 VAL H 1 70 VAL MG2 . . 3.020 2.945 2.779 2.997 . 0 0 "[ . 1 .]" 1
580 1 70 VAL H 1 71 PHE QD . . 4.560 3.568 3.278 3.913 . 0 0 "[ . 1 .]" 1
581 1 70 VAL H 1 72 TYR QB . . 5.180 4.570 4.432 4.647 . 0 0 "[ . 1 .]" 1
582 1 70 VAL HA 1 72 TYR H . . 4.710 3.826 3.651 3.878 . 0 0 "[ . 1 .]" 1
583 1 70 VAL HA 1 73 LEU H . . 4.340 4.259 4.006 4.347 0.007 7 0 "[ . 1 .]" 1
584 1 70 VAL HB 1 71 PHE H . . 4.500 2.951 2.707 2.977 . 0 0 "[ . 1 .]" 1
585 1 70 VAL QG 1 71 PHE H . . 3.200 3.073 2.829 3.201 0.001 10 0 "[ . 1 .]" 1
586 1 70 VAL QG 1 71 PHE HA . . 3.910 3.213 3.052 3.267 . 0 0 "[ . 1 .]" 1
587 1 70 VAL QG 1 71 PHE QB . . 4.490 3.904 3.817 4.119 . 0 0 "[ . 1 .]" 1
588 1 70 VAL QG 1 71 PHE QD . . 3.760 2.608 2.247 3.013 . 0 0 "[ . 1 .]" 1
589 1 71 PHE H 1 71 PHE QB . . 3.840 2.328 2.286 2.388 . 0 0 "[ . 1 .]" 1
590 1 71 PHE H 1 71 PHE QD . . 4.390 2.413 2.112 2.664 . 0 0 "[ . 1 .]" 1
591 1 71 PHE H 1 72 TYR QB . . 4.570 3.952 3.914 4.085 . 0 0 "[ . 1 .]" 1
592 1 71 PHE QB 1 72 TYR H . . 4.110 3.398 3.269 3.413 . 0 0 "[ . 1 .]" 1
593 1 71 PHE QD 1 72 TYR H . . 4.680 4.529 4.324 4.681 0.001 2 0 "[ . 1 .]" 1
594 1 72 TYR H 1 72 TYR HA . . 2.930 2.944 2.918 2.949 0.019 5 0 "[ . 1 .]" 1
595 1 72 TYR H 1 72 TYR HB3 . . 3.400 2.886 2.507 3.419 0.019 14 0 "[ . 1 .]" 1
596 1 72 TYR H 1 72 TYR QB . . 2.950 2.498 2.176 2.573 . 0 0 "[ . 1 .]" 1
597 1 72 TYR H 1 72 TYR QD . . 4.890 4.255 3.181 4.391 . 0 0 "[ . 1 .]" 1
598 1 72 TYR H 1 73 LEU H . . 3.040 2.297 2.037 2.654 . 0 0 "[ . 1 .]" 1
599 1 72 TYR H 1 72 TYR HB2 . . 3.310 2.814 2.201 2.964 . 0 0 "[ . 1 .]" 1
600 1 72 TYR HB2 1 73 LEU H . . 4.630 3.400 2.527 3.661 . 0 0 "[ . 1 .]" 1
601 1 72 TYR QB 1 73 LEU H . . 3.320 2.188 1.949 2.407 . 0 0 "[ . 1 .]" 1
602 1 72 TYR QD 1 73 LEU H . . 4.760 3.838 3.589 4.292 . 0 0 "[ . 1 .]" 1
603 1 73 LEU H 1 73 LEU HB2 . . 4.030 2.729 2.453 2.976 . 0 0 "[ . 1 .]" 1
604 1 73 LEU H 1 73 LEU HB3 . . 4.030 3.154 2.640 3.798 . 0 0 "[ . 1 .]" 1
605 1 73 LEU H 1 73 LEU QB . . 3.190 2.514 2.418 2.723 . 0 0 "[ . 1 .]" 1
606 1 73 LEU H 1 73 LEU QD . . 4.060 3.761 2.966 3.950 . 0 0 "[ . 1 .]" 1
607 1 73 LEU H 1 74 PRO QD . . 4.790 3.084 2.771 3.221 . 0 0 "[ . 1 .]" 1
608 1 73 LEU HA 1 74 PRO QD . . 3.690 2.037 2.006 2.086 . 0 0 "[ . 1 .]" 1
609 1 73 LEU HB2 1 74 PRO QD . . 4.390 4.287 4.215 4.363 . 0 0 "[ . 1 .]" 1
610 1 73 LEU HB3 1 74 PRO QD . . 4.390 4.238 4.086 4.340 . 0 0 "[ . 1 .]" 1
611 1 73 LEU QD 1 74 PRO QD . . 3.830 3.492 3.067 3.756 . 0 0 "[ . 1 .]" 1
612 1 74 PRO HA 1 75 THR H . . 3.070 2.154 2.152 2.164 . 0 0 "[ . 1 .]" 1
613 1 74 PRO HB2 1 75 THR H . . 4.000 3.532 3.432 3.544 . 0 0 "[ . 1 .]" 1
614 1 74 PRO HB3 1 75 THR H . . 4.000 4.000 3.933 4.007 0.007 14 0 "[ . 1 .]" 1
615 1 74 PRO QB 1 75 THR H . . 3.320 3.311 3.229 3.320 0.000 14 0 "[ . 1 .]" 1
616 1 74 PRO QB 1 76 ASP H . . 3.580 3.094 2.422 3.498 . 0 0 "[ . 1 .]" 1
617 1 75 THR H 1 75 THR HB . . 3.870 2.619 2.551 2.789 . 0 0 "[ . 1 .]" 1
618 1 75 THR H 1 76 ASP H . . 3.380 2.280 1.979 2.922 . 0 0 "[ . 1 .]" 1
619 1 75 THR HA 1 75 THR MG . . 3.330 2.288 2.234 2.373 . 0 0 "[ . 1 .]" 1
620 1 75 THR HA 1 76 ASP H . . 3.490 3.356 2.759 3.441 . 0 0 "[ . 1 .]" 1
621 1 75 THR MG 1 76 ASP H . . 4.040 3.953 3.765 4.072 0.032 10 0 "[ . 1 .]" 1
622 1 75 THR MG 1 76 ASP QB . . 5.100 3.021 2.661 4.162 . 0 0 "[ . 1 .]" 1
623 1 76 ASP H 1 76 ASP QB . . 3.310 2.981 2.973 2.996 . 0 0 "[ . 1 .]" 1
624 1 76 ASP HA 1 77 SER H . . 2.880 2.683 2.457 2.717 . 0 0 "[ . 1 .]" 1
625 1 76 ASP HA 1 78 GLY H . . 4.160 4.159 3.987 4.187 0.027 14 0 "[ . 1 .]" 1
626 1 76 ASP HA 1 79 GLU H . . 4.570 4.551 4.393 4.616 0.046 10 0 "[ . 1 .]" 1
627 1 76 ASP QB 1 77 SER H . . 4.000 2.478 2.416 2.771 . 0 0 "[ . 1 .]" 1
628 1 76 ASP QB 1 79 GLU H . . 3.720 2.423 1.914 2.561 . 0 0 "[ . 1 .]" 1
629 1 76 ASP QB 1 79 GLU QB . . 3.950 2.308 2.000 2.480 . 0 0 "[ . 1 .]" 1
630 1 76 ASP QB 1 79 GLU QG . . 4.360 1.898 1.845 2.122 . 0 0 "[ . 1 .]" 1
631 1 77 SER H 1 77 SER QB . . 2.760 2.188 2.051 2.664 . 0 0 "[ . 1 .]" 1
632 1 77 SER H 1 78 GLY H . . 3.550 2.628 2.582 2.645 . 0 0 "[ . 1 .]" 1
633 1 77 SER HA 1 77 SER QB . . 2.660 2.322 2.158 2.538 . 0 0 "[ . 1 .]" 1
634 1 77 SER QB 1 78 GLY H . . 3.890 3.325 3.078 3.703 . 0 0 "[ . 1 .]" 1
635 1 78 GLY QA 1 79 GLU H . . 2.990 2.739 2.702 2.811 . 0 0 "[ . 1 .]" 1
636 1 78 GLY QA 1 80 LYS QB . . 4.940 4.851 4.369 4.944 0.004 8 0 "[ . 1 .]" 1
637 1 78 GLY QA 1 81 MET H . . 4.240 3.077 2.895 3.247 . 0 0 "[ . 1 .]" 1
638 1 79 GLU H 1 79 GLU HA . . 2.930 2.834 2.760 2.899 . 0 0 "[ . 1 .]" 1
639 1 79 GLU H 1 79 GLU QB . . 2.750 2.090 2.069 2.157 . 0 0 "[ . 1 .]" 1
640 1 79 GLU H 1 79 GLU QG . . 3.150 3.149 3.103 3.164 0.014 10 0 "[ . 1 .]" 1
641 1 79 GLU HA 1 79 GLU QB . . 2.790 2.523 2.502 2.534 . 0 0 "[ . 1 .]" 1
642 1 80 LYS H 1 80 LYS QB . . 3.080 2.148 2.089 2.215 . 0 0 "[ . 1 .]" 1
643 1 80 LYS H 1 80 LYS QE . . 5.440 4.633 4.165 5.261 . 0 0 "[ . 1 .]" 1
644 1 80 LYS H 1 80 LYS QG . . 3.280 2.973 2.787 3.281 0.001 14 0 "[ . 1 .]" 1
645 1 80 LYS H 1 81 MET H . . 3.190 2.524 2.373 2.722 . 0 0 "[ . 1 .]" 1
646 1 80 LYS QB 1 81 MET H . . 3.650 2.953 2.824 3.052 . 0 0 "[ . 1 .]" 1
647 1 80 LYS QB 1 81 MET QG . . 4.260 3.325 3.189 3.567 . 0 0 "[ . 1 .]" 1
648 1 80 LYS QG 1 81 MET H . . 4.540 4.548 4.476 4.562 0.022 7 0 "[ . 1 .]" 1
649 1 81 MET H 1 81 MET QB . . 2.980 2.588 2.548 2.629 . 0 0 "[ . 1 .]" 1
650 1 81 MET H 1 81 MET ME . . 3.650 3.564 3.415 3.653 0.003 1 0 "[ . 1 .]" 1
651 1 81 MET H 1 81 MET QG . . 3.500 1.976 1.928 2.061 . 0 0 "[ . 1 .]" 1
652 1 81 MET H 1 82 THR H . . 3.100 2.631 2.414 2.763 . 0 0 "[ . 1 .]" 1
653 1 81 MET HA 1 84 SER H . . 3.910 3.335 3.118 3.529 . 0 0 "[ . 1 .]" 1
654 1 81 MET QB 1 82 THR H . . 3.060 2.276 2.095 2.616 . 0 0 "[ . 1 .]" 1
655 1 81 MET QB 1 82 THR HB . . 4.130 3.891 3.686 4.133 0.003 1 0 "[ . 1 .]" 1
656 1 81 MET ME 1 81 MET QG . . 3.260 2.049 1.985 2.183 . 0 0 "[ . 1 .]" 1
657 1 81 MET QG 1 82 THR H . . 3.740 3.710 3.667 3.744 0.004 8 0 "[ . 1 .]" 1
658 1 82 THR H 1 82 THR HB . . 2.920 2.348 2.289 2.448 . 0 0 "[ . 1 .]" 1
659 1 82 THR H 1 82 THR MG . . 2.570 2.480 2.262 2.572 0.002 1 0 "[ . 1 .]" 1
660 1 82 THR HA 1 83 GLU H . . 3.570 3.470 3.435 3.493 . 0 0 "[ . 1 .]" 1
661 1 82 THR MG 1 83 GLU H . . 3.720 2.200 1.996 2.296 . 0 0 "[ . 1 .]" 1
662 1 83 GLU H 1 83 GLU HA . . 2.920 2.877 2.842 2.901 . 0 0 "[ . 1 .]" 1
663 1 83 GLU H 1 83 GLU QB . . 3.140 2.305 2.197 2.384 . 0 0 "[ . 1 .]" 1
664 1 83 GLU H 1 83 GLU QG . . 3.940 3.141 2.452 3.962 0.022 4 0 "[ . 1 .]" 1
665 1 83 GLU HA 1 83 GLU QB . . 2.580 2.421 2.386 2.461 . 0 0 "[ . 1 .]" 1
666 1 83 GLU HA 1 83 GLU QG . . 2.790 2.397 2.185 2.714 . 0 0 "[ . 1 .]" 1
667 1 83 GLU HA 1 86 SER QB . . 3.340 3.156 2.678 3.344 0.004 14 0 "[ . 1 .]" 1
668 1 83 GLU QB 1 84 SER H . . 3.720 2.926 2.748 3.018 . 0 0 "[ . 1 .]" 1
669 1 83 GLU QB 1 84 SER HA . . 4.150 4.012 3.919 4.099 . 0 0 "[ . 1 .]" 1
670 1 83 GLU QG 1 84 SER H . . 4.270 4.257 4.165 4.274 0.004 4 0 "[ . 1 .]" 1
671 1 84 SER H 1 84 SER QB . . 3.100 2.365 2.200 2.601 . 0 0 "[ . 1 .]" 1
672 1 85 LYS H 1 85 LYS QB . . 3.430 2.274 2.166 2.486 . 0 0 "[ . 1 .]" 1
673 1 85 LYS H 1 85 LYS QG . . 3.960 3.624 2.351 3.961 0.001 5 0 "[ . 1 .]" 1
674 1 85 LYS QB 1 86 SER H . . 3.540 2.821 2.391 3.047 . 0 0 "[ . 1 .]" 1
675 1 85 LYS QB 1 86 SER HA . . 4.760 4.114 3.866 4.418 . 0 0 "[ . 1 .]" 1
676 1 85 LYS QB 1 87 VAL H . . 4.810 4.558 4.339 4.747 . 0 0 "[ . 1 .]" 1
677 1 85 LYS QG 1 86 SER H . . 4.210 3.945 3.069 4.210 . 5 0 "[ . 1 .]" 1
678 1 86 SER H 1 86 SER QB . . 3.260 2.137 2.057 2.298 . 0 0 "[ . 1 .]" 1
679 1 87 VAL H 1 87 VAL QG . . 4.060 2.112 1.905 2.610 . 0 0 "[ . 1 .]" 1
680 1 87 VAL H 1 88 LEU H . . 3.690 2.407 2.295 2.488 . 0 0 "[ . 1 .]" 1
681 1 87 VAL H 1 88 LEU QB . . 4.570 4.513 4.171 4.573 0.003 2 0 "[ . 1 .]" 1
682 1 88 LEU H 1 88 LEU QB . . 3.130 2.448 2.190 2.532 . 0 0 "[ . 1 .]" 1
683 1 88 LEU H 1 88 LEU QD . . 3.450 3.036 2.812 3.186 . 0 0 "[ . 1 .]" 1
684 1 88 LEU HA 1 88 LEU QD . . 3.500 2.354 2.012 2.640 . 0 0 "[ . 1 .]" 1
685 1 88 LEU QD 1 89 LYS H . . 4.490 4.054 3.876 4.149 . 0 0 "[ . 1 .]" 1
686 1 89 LYS H 1 89 LYS QE . . 5.500 4.945 4.548 5.290 . 0 0 "[ . 1 .]" 1
687 1 89 LYS H 1 90 SER H . . 3.680 2.425 2.330 2.499 . 0 0 "[ . 1 .]" 1
688 1 89 LYS QB 1 89 LYS QE . . 3.660 2.705 2.323 3.580 . 0 0 "[ . 1 .]" 1
689 1 89 LYS QB 1 90 SER H . . 4.130 2.751 2.639 2.900 . 0 0 "[ . 1 .]" 1
690 1 89 LYS QB 1 90 SER HA . . 5.150 3.989 3.841 4.330 . 0 0 "[ . 1 .]" 1
691 1 90 SER H 1 91 LEU H . . 3.650 2.360 2.293 2.381 . 0 0 "[ . 1 .]" 1
692 1 90 SER H 1 92 THR H . . 4.510 4.328 4.184 4.368 . 0 0 "[ . 1 .]" 1
693 1 91 LEU H 1 91 LEU HB2 . . 3.530 2.986 2.860 3.039 . 0 0 "[ . 1 .]" 1
694 1 91 LEU H 1 91 LEU HB3 . . 3.530 2.157 2.134 2.233 . 0 0 "[ . 1 .]" 1
695 1 91 LEU H 1 91 LEU QB . . 2.990 2.109 2.091 2.166 . 0 0 "[ . 1 .]" 1
696 1 91 LEU H 1 91 LEU QD . . 3.750 3.707 3.527 3.752 0.002 5 0 "[ . 1 .]" 1
697 1 91 LEU H 1 92 THR MG . . 4.140 4.038 3.852 4.104 . 0 0 "[ . 1 .]" 1
698 1 91 LEU HA 1 91 LEU QD . . 3.110 2.533 2.284 3.131 0.021 8 0 "[ . 1 .]" 1
699 1 91 LEU HA 1 92 THR MG . . 5.020 5.031 5.025 5.045 0.025 8 0 "[ . 1 .]" 1
700 1 91 LEU HB2 1 92 THR H . . 4.090 4.003 3.959 4.025 . 0 0 "[ . 1 .]" 1
701 1 91 LEU HB3 1 92 THR H . . 4.090 2.704 2.600 2.746 . 0 0 "[ . 1 .]" 1
702 1 91 LEU QB 1 92 THR H . . 3.370 2.663 2.566 2.703 . 0 0 "[ . 1 .]" 1
703 1 91 LEU QB 1 92 THR HB . . 5.340 4.438 4.337 4.477 . 0 0 "[ . 1 .]" 1
704 1 91 LEU QD 1 92 THR H . . 3.490 3.289 2.443 3.496 0.006 15 0 "[ . 1 .]" 1
705 1 91 LEU QD 1 92 THR HA . . 4.260 3.257 2.602 3.583 . 0 0 "[ . 1 .]" 1
706 1 92 THR H 1 92 THR HB . . 3.150 2.330 2.321 2.351 . 0 0 "[ . 1 .]" 1
707 1 92 THR H 1 92 THR MG . . 3.330 2.524 2.438 2.554 . 0 0 "[ . 1 .]" 1
708 1 92 THR H 1 93 GLU H . . 3.620 2.741 2.733 2.745 . 0 0 "[ . 1 .]" 1
709 1 92 THR H 1 93 GLU QB . . 4.640 4.396 4.388 4.404 . 0 0 "[ . 1 .]" 1
710 1 92 THR HA 1 95 LEU H . . 3.970 2.953 2.912 3.074 . 0 0 "[ . 1 .]" 1
711 1 92 THR HA 1 95 LEU QB . . 4.150 2.319 1.965 2.809 . 0 0 "[ . 1 .]" 1
712 1 92 THR HA 1 96 LYS H . . 4.330 4.121 3.883 4.334 0.004 8 0 "[ . 1 .]" 1
713 1 92 THR MG 1 93 GLU H . . 4.000 2.125 2.077 2.287 . 0 0 "[ . 1 .]" 1
714 1 92 THR MG 1 93 GLU QB . . 4.080 3.358 3.308 3.469 . 0 0 "[ . 1 .]" 1
715 1 92 THR MG 1 94 LYS H . . 4.510 4.325 4.253 4.417 . 0 0 "[ . 1 .]" 1
716 1 93 GLU H 1 93 GLU QB . . 3.170 2.048 2.043 2.059 . 0 0 "[ . 1 .]" 1
717 1 93 GLU H 1 93 GLU QG . . 3.610 3.493 3.352 3.597 . 0 0 "[ . 1 .]" 1
718 1 93 GLU H 1 94 LYS H . . 3.780 2.759 2.708 2.825 . 0 0 "[ . 1 .]" 1
719 1 93 GLU H 1 95 LEU H . . 4.210 3.980 3.877 4.179 . 0 0 "[ . 1 .]" 1
720 1 93 GLU QB 1 94 LYS H . . 3.860 2.801 2.633 2.967 . 0 0 "[ . 1 .]" 1
721 1 94 LYS H 1 94 LYS QB . . 3.550 2.263 2.090 2.662 . 0 0 "[ . 1 .]" 1
722 1 94 LYS H 1 96 LYS H . . 4.590 3.945 3.859 4.162 . 0 0 "[ . 1 .]" 1
723 1 94 LYS HA 1 97 LYS H . . 4.350 3.621 3.366 3.777 . 0 0 "[ . 1 .]" 1
724 1 95 LEU H 1 95 LEU HB2 . . 3.570 2.351 2.092 2.691 . 0 0 "[ . 1 .]" 1
725 1 95 LEU H 1 95 LEU HB3 . . 3.570 2.817 2.431 3.234 . 0 0 "[ . 1 .]" 1
726 1 95 LEU H 1 95 LEU QB . . 3.080 2.194 2.066 2.278 . 0 0 "[ . 1 .]" 1
727 1 95 LEU H 1 95 LEU QD . . 4.240 3.680 3.506 3.757 . 0 0 "[ . 1 .]" 1
728 1 95 LEU HA 1 98 ILE H . . 3.590 3.593 3.499 3.623 0.033 10 0 "[ . 1 .]" 1
729 1 95 LEU QB 1 96 LYS H . . 3.510 2.853 2.591 3.018 . 0 0 "[ . 1 .]" 1
730 1 95 LEU QB 1 96 LYS HA . . 4.680 3.965 3.737 4.187 . 0 0 "[ . 1 .]" 1
731 1 96 LYS H 1 96 LYS QB . . 3.190 2.333 2.239 2.544 . 0 0 "[ . 1 .]" 1
732 1 96 LYS H 1 97 LYS H . . 3.870 2.545 2.391 2.616 . 0 0 "[ . 1 .]" 1
733 1 96 LYS HA 1 99 VAL H . . 4.500 4.359 4.313 4.513 0.013 11 0 "[ . 1 .]" 1
734 1 96 LYS QB 1 97 LYS H . . 3.550 2.782 2.604 2.930 . 0 0 "[ . 1 .]" 1
735 1 97 LYS H 1 97 LYS QB . . 3.660 2.054 2.047 2.090 . 0 0 "[ . 1 .]" 1
736 1 97 LYS H 1 97 LYS QG . . 3.330 3.426 3.376 3.452 0.122 9 0 "[ . 1 .]" 1
737 1 97 LYS H 1 98 ILE H . . 3.710 2.557 2.446 2.586 . 0 0 "[ . 1 .]" 1
738 1 97 LYS H 1 99 VAL H . . 4.420 4.496 4.477 4.513 0.093 9 0 "[ . 1 .]" 1
739 1 97 LYS HA 1 100 GLU QB . . 4.030 4.029 3.998 4.044 0.014 9 0 "[ . 1 .]" 1
740 1 97 LYS HA 1 99 VAL H . . 4.400 3.401 3.371 3.413 . 0 0 "[ . 1 .]" 1
741 1 98 ILE H 1 98 ILE HB . . 3.700 2.323 2.309 2.339 . 0 0 "[ . 1 .]" 1
742 1 98 ILE H 1 98 ILE MD . . 3.820 3.857 3.841 3.872 0.052 11 0 "[ . 1 .]" 1
743 1 98 ILE H 1 98 ILE QG . . 3.950 4.027 4.022 4.033 0.083 11 0 "[ . 1 .]" 1
744 1 98 ILE H 1 98 ILE MG . . 3.780 2.531 2.506 2.554 . 0 0 "[ . 1 .]" 1
745 1 98 ILE HA 1 100 GLU H . . 4.460 3.529 3.515 3.589 . 0 0 "[ . 1 .]" 1
746 1 98 ILE HA 1 101 LEU H . . 4.580 3.142 3.088 3.198 . 0 0 "[ . 1 .]" 1
747 1 98 ILE HA 1 98 ILE MD . . 3.430 2.765 2.668 2.802 . 0 0 "[ . 1 .]" 1
748 1 98 ILE HA 1 98 ILE MG . . 3.130 3.180 3.179 3.184 0.054 11 0 "[ . 1 .]" 1
749 1 98 ILE HB 1 98 ILE MD . . 3.040 2.090 2.058 2.161 . 0 0 "[ . 1 .]" 1
750 1 98 ILE HB 1 99 VAL H . . 4.700 3.953 3.937 3.965 . 0 0 "[ . 1 .]" 1
751 1 98 ILE QG 1 100 GLU H . . 5.500 4.671 4.640 4.735 . 0 0 "[ . 1 .]" 1
752 1 98 ILE QG 1 101 LEU H . . 3.470 3.598 3.587 3.607 0.137 13 0 "[ . 1 .]" 1
753 1 97 LYS H 1 98 ILE MG . . 5.080 4.429 4.340 4.466 . 0 0 "[ . 1 .]" 1
754 1 98 ILE QG 1 98 ILE MG . . 2.930 2.017 2.011 2.027 . 0 0 "[ . 1 .]" 1
755 1 99 VAL H 1 100 GLU H . . 3.570 2.685 2.679 2.691 . 0 0 "[ . 1 .]" 1
756 1 99 VAL H 1 99 VAL HB . . 3.330 2.550 2.215 3.600 0.270 1 0 "[ . 1 .]" 1
757 1 99 VAL H 1 99 VAL QG . . 2.810 2.273 1.919 2.663 . 0 0 "[ . 1 .]" 1
758 1 99 VAL HA 1 103 PRO QD . . 3.500 3.507 3.481 3.551 0.051 9 0 "[ . 1 .]" 1
759 1 99 VAL QG 1 100 GLU H . . 3.940 2.942 2.233 3.493 . 0 0 "[ . 1 .]" 1
760 1 100 GLU H 1 100 GLU QB . . 3.340 2.271 2.242 2.296 . 0 0 "[ . 1 .]" 1
761 1 100 GLU H 1 100 GLU QG . . 4.000 3.958 3.898 4.062 0.062 12 0 "[ . 1 .]" 1
762 1 100 GLU H 1 101 LEU H . . 3.290 2.300 2.290 2.313 . 0 0 "[ . 1 .]" 1
763 1 100 GLU H 1 101 LEU QB . . 5.340 3.948 3.912 4.010 . 0 0 "[ . 1 .]" 1
764 1 100 GLU HA 1 100 GLU QG . . 3.450 2.555 2.405 3.110 . 0 0 "[ . 1 .]" 1
765 1 100 GLU QG 1 101 LEU H . . 4.560 3.963 3.799 4.308 . 0 0 "[ . 1 .]" 1
766 1 101 LEU H 1 101 LEU QB . . 3.000 2.167 2.113 2.290 . 0 0 "[ . 1 .]" 1
767 1 101 LEU H 1 101 LEU QD . . 3.090 3.035 2.768 3.116 0.026 11 0 "[ . 1 .]" 1
768 1 101 LEU H 1 102 ILE H . . 3.620 2.713 2.529 3.588 . 0 0 "[ . 1 .]" 1
769 1 101 LEU H 1 103 PRO QD . . 4.780 3.370 3.180 3.772 . 0 0 "[ . 1 .]" 1
770 1 98 ILE HA 1 101 LEU HB3 . . 3.970 3.974 3.918 4.023 0.053 9 0 "[ . 1 .]" 1
771 1 101 LEU QB 1 102 ILE H . . 4.210 2.244 2.107 3.897 . 0 0 "[ . 1 .]" 1
772 1 101 LEU QD 1 102 ILE H . . 4.620 3.704 3.634 3.767 . 0 0 "[ . 1 .]" 1
773 1 102 ILE H 1 102 ILE HB . . 3.900 3.076 2.801 3.691 . 0 0 "[ . 1 .]" 1
774 1 102 ILE H 1 102 ILE MD . . 4.620 2.583 1.901 3.076 . 0 0 "[ . 1 .]" 1
775 1 102 ILE H 1 102 ILE QG . . 3.770 2.945 2.355 3.409 . 0 0 "[ . 1 .]" 1
776 1 102 ILE H 1 102 ILE MG . . 4.310 3.862 3.592 3.948 . 0 0 "[ . 1 .]" 1
777 1 102 ILE HA 1 102 ILE MG . . 3.380 2.218 1.973 2.347 . 0 0 "[ . 1 .]" 1
778 1 102 ILE HB 1 102 ILE MD . . 3.410 2.323 2.041 3.217 . 0 0 "[ . 1 .]" 1
779 1 105 THR MG 1 106 SER H . . 4.190 3.706 2.938 4.190 0.000 5 0 "[ . 1 .]" 1
780 1 106 SER H 1 106 SER QB . . 3.540 2.394 2.192 2.914 . 0 0 "[ . 1 .]" 1
781 1 106 SER QB 1 107 SER H . . 3.510 3.349 2.726 3.512 0.002 6 0 "[ . 1 .]" 1
782 1 107 SER H 1 107 SER QB . . 2.950 2.283 2.088 2.466 . 0 0 "[ . 1 .]" 1
783 1 107 SER H 1 108 ALA MB . . 4.300 3.993 3.803 4.178 . 0 0 "[ . 1 .]" 1
784 1 107 SER HA 1 109 VAL H . . 4.250 3.995 3.908 4.215 . 0 0 "[ . 1 .]" 1
785 1 107 SER QB 1 108 ALA H . . 3.590 2.738 2.447 2.898 . 0 0 "[ . 1 .]" 1
786 1 108 ALA H 1 108 ALA MB . . 2.890 2.119 2.078 2.272 . 0 0 "[ . 1 .]" 1
787 1 108 ALA H 1 109 VAL H . . 3.600 2.397 2.340 2.412 . 0 0 "[ . 1 .]" 1
788 1 108 ALA H 1 109 VAL HB . . 4.470 4.389 4.341 4.414 . 0 0 "[ . 1 .]" 1
789 1 108 ALA H 1 109 VAL MG2 . . 4.500 4.323 4.254 4.410 . 0 0 "[ . 1 .]" 1
790 1 108 ALA MB 1 109 VAL H . . 3.680 3.066 2.974 3.096 . 0 0 "[ . 1 .]" 1
791 1 109 VAL H 1 109 VAL HB . . 3.500 2.240 2.215 2.253 . 0 0 "[ . 1 .]" 1
792 1 109 VAL H 1 109 VAL MG2 . . 3.100 2.736 2.642 2.826 . 0 0 "[ . 1 .]" 1
793 1 109 VAL H 1 111 LEU H . . 4.480 3.859 3.749 4.016 . 0 0 "[ . 1 .]" 1
794 1 109 VAL HA 1 111 LEU H . . 4.700 4.216 3.990 4.558 . 0 0 "[ . 1 .]" 1
795 1 106 SER HA 1 109 VAL HB . . 4.180 2.864 2.263 3.224 . 0 0 "[ . 1 .]" 1
796 1 111 LEU H 1 111 LEU HB2 . . 3.800 2.189 2.088 2.522 . 0 0 "[ . 1 .]" 1
797 1 111 LEU H 1 111 LEU HB3 . . 3.800 3.154 2.882 3.587 . 0 0 "[ . 1 .]" 1
798 1 111 LEU H 1 111 LEU QB . . 3.300 2.146 2.069 2.475 . 0 0 "[ . 1 .]" 1
799 1 111 LEU H 1 111 LEU QD . . 3.970 3.429 2.126 3.792 . 0 0 "[ . 1 .]" 1
800 1 111 LEU H 1 112 ILE H . . 4.020 2.658 2.402 2.997 . 0 0 "[ . 1 .]" 1
801 1 111 LEU HA 1 111 LEU QB . . 2.620 2.493 2.346 2.532 . 0 0 "[ . 1 .]" 1
802 1 111 LEU HA 1 111 LEU QD . . 3.580 2.341 1.876 2.720 . 0 0 "[ . 1 .]" 1
803 1 111 LEU HB2 1 112 ILE H . . 4.040 2.998 2.261 3.431 . 0 0 "[ . 1 .]" 1
804 1 111 LEU HB3 1 112 ILE H . . 4.040 2.555 2.181 3.384 . 0 0 "[ . 1 .]" 1
805 1 111 LEU QB 1 112 ILE H . . 3.420 2.329 2.146 2.648 . 0 0 "[ . 1 .]" 1
806 1 111 LEU QB 1 112 ILE HA . . 4.910 3.728 3.646 3.829 . 0 0 "[ . 1 .]" 1
807 1 111 LEU QB 1 113 GLY H . . 5.340 4.264 4.205 4.402 . 0 0 "[ . 1 .]" 1
808 1 111 LEU QD 1 114 LYS H . . 5.270 4.403 3.853 5.238 . 0 0 "[ . 1 .]" 1
809 1 112 ILE H 1 112 ILE HB . . 3.680 2.409 2.229 3.614 . 0 0 "[ . 1 .]" 1
810 1 112 ILE H 1 112 ILE QG . . 4.080 3.826 2.093 4.076 . 0 0 "[ . 1 .]" 1
811 1 112 ILE H 1 112 ILE MG . . 3.450 2.475 2.143 2.698 . 0 0 "[ . 1 .]" 1
812 1 112 ILE H 1 113 GLY H . . 3.920 2.666 2.505 2.716 . 0 0 "[ . 1 .]" 1
813 1 112 ILE H 1 114 LYS H . . 4.650 4.353 4.251 4.496 . 0 0 "[ . 1 .]" 1
814 1 112 ILE HA 1 114 LYS QB . . 5.500 4.651 4.361 4.911 . 0 0 "[ . 1 .]" 1
815 1 112 ILE HB 1 112 ILE MD . . 3.320 2.259 2.075 2.418 . 0 0 "[ . 1 .]" 1
816 1 112 ILE HB 1 113 GLY H . . 4.270 3.916 3.835 4.038 . 0 0 "[ . 1 .]" 1
817 1 112 ILE QG 1 113 GLY H . . 4.310 4.081 2.311 4.311 0.001 14 0 "[ . 1 .]" 1
818 1 112 ILE QG 1 114 LYS H . . 5.390 4.983 4.529 5.331 . 0 0 "[ . 1 .]" 1
819 1 112 ILE QG 1 112 ILE MG . . 2.560 2.149 2.032 2.341 . 0 0 "[ . 1 .]" 1
820 1 112 ILE MG 1 113 GLY H . . 4.180 2.347 2.103 4.056 . 0 0 "[ . 1 .]" 1
821 1 112 ILE MG 1 114 LYS H . . 5.500 4.362 4.203 5.275 . 0 0 "[ . 1 .]" 1
822 1 113 GLY H 1 114 LYS H . . 4.120 2.684 2.545 2.794 . 0 0 "[ . 1 .]" 1
823 1 113 GLY H 1 114 LYS QB . . 4.780 4.440 4.304 4.579 . 0 0 "[ . 1 .]" 1
824 1 114 LYS H 1 114 LYS QB . . 3.690 2.251 2.154 2.299 . 0 0 "[ . 1 .]" 1
825 1 115 TYR H 1 115 TYR QB . . 3.850 2.351 2.072 2.675 . 0 0 "[ . 1 .]" 1
826 1 115 TYR H 1 115 TYR QD . . 4.210 2.833 2.154 3.493 . 0 0 "[ . 1 .]" 1
827 1 115 TYR HA 1 115 TYR QD . . 4.330 2.654 2.251 2.967 . 0 0 "[ . 1 .]" 1
828 1 116 MET ME 1 117 LEU H . . 4.440 4.432 4.329 4.441 0.001 12 0 "[ . 1 .]" 1
829 1 116 MET ME 1 116 MET QG . . 3.420 2.286 2.037 2.485 . 0 0 "[ . 1 .]" 1
830 1 117 LEU H 1 117 LEU QB . . 3.480 2.139 2.031 2.251 . 0 0 "[ . 1 .]" 1
831 1 117 LEU H 1 117 LEU QD . . 4.590 3.463 2.949 3.708 . 0 0 "[ . 1 .]" 1
832 1 117 LEU HA 1 121 GLU H . . 4.160 4.136 4.012 4.162 0.002 14 0 "[ . 1 .]" 1
833 1 117 LEU QB 1 121 GLU H . . 5.300 4.591 4.125 5.053 . 0 0 "[ . 1 .]" 1
834 1 117 LEU QD 1 121 GLU H . . 4.880 3.809 2.835 4.418 . 0 0 "[ . 1 .]" 1
835 1 118 PHE H 1 118 PHE QB . . 3.570 2.159 2.064 2.245 . 0 0 "[ . 1 .]" 1
836 1 118 PHE H 1 118 PHE QD . . 4.250 3.968 3.624 4.171 . 0 0 "[ . 1 .]" 1
837 1 118 PHE H 1 119 THR H . . 4.630 2.819 2.722 3.007 . 0 0 "[ . 1 .]" 1
838 1 118 PHE HA 1 118 PHE QD . . 4.290 3.007 2.874 3.111 . 0 0 "[ . 1 .]" 1
839 1 115 TYR HA 1 118 PHE QB . . 3.800 2.261 1.954 2.556 . 0 0 "[ . 1 .]" 1
840 1 118 PHE QB 1 119 THR H . . 4.140 2.606 2.179 2.857 . 0 0 "[ . 1 .]" 1
841 1 119 THR H 1 119 THR HB . . 3.870 2.777 2.487 3.636 . 0 0 "[ . 1 .]" 1
842 1 119 THR H 1 119 THR MG . . 4.050 3.605 2.370 3.796 . 0 0 "[ . 1 .]" 1
843 1 119 THR H 1 120 LYS H . . 3.230 2.496 2.297 2.764 . 0 0 "[ . 1 .]" 1
844 1 119 THR H 1 122 PHE QB . . 5.130 4.887 4.506 5.130 0.000 9 0 "[ . 1 .]" 1
845 1 119 THR HA 1 122 PHE H . . 4.800 3.466 3.218 3.848 . 0 0 "[ . 1 .]" 1
846 1 119 THR MG 1 120 LYS H . . 4.110 3.810 3.273 4.102 . 0 0 "[ . 1 .]" 1
847 1 119 THR MG 1 121 GLU H . . 5.500 5.173 4.721 5.501 0.001 6 0 "[ . 1 .]" 1
848 1 119 THR MG 1 122 PHE H . . 5.050 4.678 4.160 5.047 . 0 0 "[ . 1 .]" 1
849 1 119 THR MG 1 122 PHE QB . . 4.750 3.558 3.056 4.240 . 0 0 "[ . 1 .]" 1
850 1 120 LYS H 1 122 PHE H . . 4.250 4.010 3.743 4.239 . 0 0 "[ . 1 .]" 1
851 1 120 LYS HA 1 123 VAL H . . 4.560 3.684 3.446 4.169 . 0 0 "[ . 1 .]" 1
852 1 120 LYS QB 1 121 GLU H . . 3.740 2.699 2.360 2.970 . 0 0 "[ . 1 .]" 1
853 1 120 LYS QB 1 121 GLU QG . . 4.790 4.689 4.045 4.785 . 0 0 "[ . 1 .]" 1
854 1 121 GLU H 1 121 GLU HB2 . . 3.690 2.278 2.077 3.590 . 0 0 "[ . 1 .]" 1
855 1 121 GLU H 1 121 GLU HB3 . . 3.690 2.983 2.573 3.179 . 0 0 "[ . 1 .]" 1
856 1 121 GLU H 1 121 GLU QB . . 3.190 2.159 2.051 2.519 . 0 0 "[ . 1 .]" 1
857 1 121 GLU H 1 121 GLU QG . . 3.890 3.643 2.046 3.880 . 0 0 "[ . 1 .]" 1
858 1 121 GLU H 1 122 PHE H . . 4.100 2.519 2.301 2.730 . 0 0 "[ . 1 .]" 1
859 1 121 GLU H 1 123 VAL QG . . 4.280 4.222 3.959 4.281 0.001 9 0 "[ . 1 .]" 1
860 1 121 GLU HA 1 121 GLU QG . . 3.490 2.301 2.170 3.406 . 0 0 "[ . 1 .]" 1
861 1 121 GLU HA 1 124 GLU H . . 4.730 3.692 3.100 3.972 . 0 0 "[ . 1 .]" 1
862 1 121 GLU HA 1 124 GLU QB . . 4.300 3.580 2.456 4.170 . 0 0 "[ . 1 .]" 1
863 1 121 GLU QB 1 122 PHE H . . 4.100 2.835 2.573 3.371 . 0 0 "[ . 1 .]" 1
864 1 121 GLU QB 1 122 PHE HA . . 4.280 3.860 3.700 4.274 . 0 0 "[ . 1 .]" 1
865 1 121 GLU QG 1 122 PHE HA . . 5.030 4.845 4.114 5.021 . 0 0 "[ . 1 .]" 1
866 1 122 PHE H 1 123 VAL H . . 4.270 2.629 2.372 2.764 . 0 0 "[ . 1 .]" 1
867 1 122 PHE H 1 123 VAL QG . . 4.510 3.769 3.375 3.990 . 0 0 "[ . 1 .]" 1
868 1 122 PHE HA 1 122 PHE QD . . 3.900 2.906 2.283 3.106 . 0 0 "[ . 1 .]" 1
869 1 122 PHE QB 1 123 VAL H . . 4.240 2.840 2.490 3.012 . 0 0 "[ . 1 .]" 1
870 1 122 PHE QB 1 123 VAL HB . . 5.190 4.991 4.091 5.194 0.004 2 0 "[ . 1 .]" 1
871 1 122 PHE QB 1 123 VAL QG . . 4.140 3.514 2.954 4.140 0.000 4 0 "[ . 1 .]" 1
872 1 122 PHE QD 1 123 VAL H . . 4.500 4.292 3.858 4.483 . 0 0 "[ . 1 .]" 1
873 1 123 VAL H 1 123 VAL HB . . 3.880 2.666 2.522 3.631 . 0 0 "[ . 1 .]" 1
874 1 123 VAL H 1 123 VAL MG1 . . 4.070 3.298 1.908 3.765 . 0 0 "[ . 1 .]" 1
875 1 123 VAL H 1 123 VAL MG2 . . 4.070 2.489 2.043 3.764 . 0 0 "[ . 1 .]" 1
876 1 123 VAL H 1 123 VAL QG . . 3.320 2.093 1.855 2.232 . 0 0 "[ . 1 .]" 1
877 1 123 VAL H 1 124 GLU H . . 4.220 2.666 2.321 2.760 . 0 0 "[ . 1 .]" 1
878 1 123 VAL H 1 125 SER H . . 4.310 4.239 4.180 4.304 . 0 0 "[ . 1 .]" 1
879 1 123 VAL MG1 1 124 GLU H . . 4.700 3.469 2.103 3.951 . 0 0 "[ . 1 .]" 1
880 1 123 VAL MG2 1 124 GLU H . . 4.700 3.790 2.355 4.019 . 0 0 "[ . 1 .]" 1
881 1 123 VAL QG 1 124 GLU H . . 4.120 3.119 2.093 3.460 . 0 0 "[ . 1 .]" 1
882 1 124 GLU H 1 124 GLU QG . . 4.270 3.427 2.136 4.042 . 0 0 "[ . 1 .]" 1
883 1 124 GLU H 1 125 SER H . . 4.090 2.622 2.534 2.731 . 0 0 "[ . 1 .]" 1
884 1 124 GLU H 1 126 SER H . . 4.790 4.354 4.181 4.556 . 0 0 "[ . 1 .]" 1
885 1 124 GLU H 1 124 GLU QB . . 3.660 2.205 2.044 2.468 . 0 0 "[ . 1 .]" 1
886 1 124 GLU QB 1 125 SER H . . 4.410 3.016 2.860 3.084 . 0 0 "[ . 1 .]" 1
887 1 124 GLU QB 1 127 ILE MD . . 3.690 3.466 3.037 3.686 . 0 0 "[ . 1 .]" 1
888 1 124 GLU QG 1 127 ILE MD . . 3.550 2.401 1.908 3.514 . 0 0 "[ . 1 .]" 1
889 1 126 SER H 1 126 SER QB . . 3.870 2.363 2.071 2.707 . 0 0 "[ . 1 .]" 1
890 1 126 SER QB 1 127 ILE H . . 4.800 2.553 2.214 3.457 . 0 0 "[ . 1 .]" 1
891 1 127 ILE H 1 127 ILE HB . . 3.730 3.313 2.673 3.639 . 0 0 "[ . 1 .]" 1
892 1 127 ILE H 1 127 ILE MD . . 3.670 3.221 1.994 3.664 . 0 0 "[ . 1 .]" 1
893 1 127 ILE H 1 127 ILE QG . . 4.120 2.092 1.922 2.468 . 0 0 "[ . 1 .]" 1
894 1 127 ILE H 1 127 ILE MG . . 3.800 2.826 2.239 3.790 . 0 0 "[ . 1 .]" 1
895 1 127 ILE H 1 128 LYS H . . 4.230 2.504 2.334 2.689 . 0 0 "[ . 1 .]" 1
896 1 127 ILE HB 1 127 ILE MD . . 2.430 2.255 2.041 2.381 . 0 0 "[ . 1 .]" 1
897 1 127 ILE HB 1 128 LYS QB . . 5.100 4.775 3.914 5.101 0.001 3 0 "[ . 1 .]" 1
898 1 127 ILE QG 1 128 LYS H . . 5.040 2.874 2.256 4.194 . 0 0 "[ . 1 .]" 1
899 1 127 ILE MG 1 128 LYS H . . 4.250 3.951 3.491 4.117 . 0 0 "[ . 1 .]" 1
900 1 128 LYS H 1 129 ILE H . . 4.130 2.634 2.354 2.881 . 0 0 "[ . 1 .]" 1
901 1 128 LYS QB 1 129 ILE H . . 3.920 2.544 2.205 2.868 . 0 0 "[ . 1 .]" 1
902 1 128 LYS QB 1 130 THR H . . 5.060 4.769 4.476 5.044 . 0 0 "[ . 1 .]" 1
903 1 129 ILE H 1 129 ILE HB . . 3.740 2.338 2.278 2.553 . 0 0 "[ . 1 .]" 1
904 1 129 ILE H 1 129 ILE MD . . 3.970 3.620 3.225 3.927 . 0 0 "[ . 1 .]" 1
905 1 129 ILE H 1 129 ILE MG . . 4.000 3.609 2.389 3.763 . 0 0 "[ . 1 .]" 1
906 1 129 ILE H 1 130 THR H . . 4.140 2.644 2.338 2.836 . 0 0 "[ . 1 .]" 1
907 1 129 ILE HB 1 130 THR H . . 4.100 2.711 2.360 3.947 . 0 0 "[ . 1 .]" 1
908 1 126 SER HA 1 129 ILE HB . . 4.420 3.315 2.892 4.041 . 0 0 "[ . 1 .]" 1
909 1 129 ILE MG 1 130 THR H . . 4.240 2.929 2.029 3.337 . 0 0 "[ . 1 .]" 1
910 1 129 ILE MG 1 131 GLU H . . 4.600 4.441 4.142 4.594 . 0 0 "[ . 1 .]" 1
911 1 130 THR H 1 130 THR HB . . 3.790 3.556 3.354 3.616 . 0 0 "[ . 1 .]" 1
912 1 130 THR H 1 130 THR HG1 . . 3.990 2.572 1.959 3.606 . 0 0 "[ . 1 .]" 1
913 1 130 THR H 1 130 THR MG . . 3.770 2.580 2.092 3.286 . 0 0 "[ . 1 .]" 1
914 1 130 THR H 1 131 GLU H . . 4.040 2.597 2.418 2.686 . 0 0 "[ . 1 .]" 1
915 1 130 THR HB 1 131 GLU H . . 4.000 3.819 3.460 3.997 . 0 0 "[ . 1 .]" 1
916 1 130 THR HB 1 131 GLU HA . . 4.670 4.364 4.013 4.578 . 0 0 "[ . 1 .]" 1
917 1 130 THR HG1 1 131 GLU H . . 4.680 2.891 2.298 3.848 . 0 0 "[ . 1 .]" 1
918 1 130 THR MG 1 131 GLU H . . 4.390 4.175 4.026 4.350 . 0 0 "[ . 1 .]" 1
919 1 131 GLU H 1 131 GLU QB . . 3.570 2.108 2.041 2.208 . 0 0 "[ . 1 .]" 1
920 1 131 GLU H 1 131 GLU QG . . 4.120 3.656 3.155 4.041 . 0 0 "[ . 1 .]" 1
921 1 131 GLU H 1 132 GLU H . . 4.290 2.657 2.656 2.658 . 0 0 "[ . 1 .]" 1
922 1 132 GLU H 1 132 GLU QB . . 3.140 2.188 2.104 2.305 . 0 0 "[ . 1 .]" 1
923 1 132 GLU H 1 133 VAL H . . 3.570 2.334 2.317 2.363 . 0 0 "[ . 1 .]" 1
924 1 132 GLU HA 1 135 ASN HD21 . . 4.900 4.048 2.779 4.900 0.000 7 0 "[ . 1 .]" 1
925 1 132 GLU HA 1 135 ASN QB . . 4.320 3.498 2.925 4.299 . 0 0 "[ . 1 .]" 1
926 1 129 ILE HA 1 132 GLU QB . . 4.310 3.752 3.624 4.035 . 0 0 "[ . 1 .]" 1
927 1 133 VAL H 1 133 VAL HB . . 3.890 2.283 2.226 2.330 . 0 0 "[ . 1 .]" 1
928 1 133 VAL H 1 133 VAL MG1 . . 3.980 2.681 2.608 2.725 . 0 0 "[ . 1 .]" 1
929 1 133 VAL H 1 133 VAL MG2 . . 3.980 3.669 3.629 3.696 . 0 0 "[ . 1 .]" 1
930 1 133 VAL H 1 133 VAL QG . . 3.250 2.618 2.555 2.652 . 0 0 "[ . 1 .]" 1
931 1 133 VAL HA 1 136 THR H . . 4.240 3.619 3.403 3.885 . 0 0 "[ . 1 .]" 1
932 1 133 VAL HB 1 134 ILE H . . 4.300 3.799 3.688 3.890 . 0 0 "[ . 1 .]" 1
933 1 133 VAL MG1 1 134 ILE H . . 4.420 2.310 2.270 2.364 . 0 0 "[ . 1 .]" 1
934 1 133 VAL MG2 1 134 ILE H . . 4.420 4.209 4.138 4.220 . 0 0 "[ . 1 .]" 1
935 1 133 VAL MG2 1 136 THR H . . 4.500 4.259 3.832 4.533 0.033 8 0 "[ . 1 .]" 1
936 1 133 VAL QG 1 134 ILE H . . 3.850 2.300 2.261 2.352 . 0 0 "[ . 1 .]" 1
937 1 133 VAL HA 1 134 ILE H . . 4.270 3.446 3.421 3.469 . 0 0 "[ . 1 .]" 1
938 1 134 ILE H 1 134 ILE HB . . 4.080 3.195 2.727 3.608 . 0 0 "[ . 1 .]" 1
939 1 134 ILE H 1 134 ILE MG . . 4.090 1.960 1.897 2.125 . 0 0 "[ . 1 .]" 1
940 1 134 ILE H 1 135 ASN QB . . 4.870 4.307 4.111 4.623 . 0 0 "[ . 1 .]" 1
941 1 134 ILE HA 1 137 HIS H . . 4.470 3.203 2.772 3.608 . 0 0 "[ . 1 .]" 1
942 1 134 ILE MD 1 135 ASN HA . . 4.790 3.205 2.452 4.393 . 0 0 "[ . 1 .]" 1
943 1 134 ILE MG 1 135 ASN H . . 4.180 3.138 2.152 3.881 . 0 0 "[ . 1 .]" 1
944 1 135 ASN H 1 135 ASN HD21 . . 4.470 2.743 2.061 4.023 . 0 0 "[ . 1 .]" 1
945 1 135 ASN H 1 135 ASN QB . . 3.330 2.146 2.073 2.230 . 0 0 "[ . 1 .]" 1
946 1 135 ASN H 1 136 THR H . . 3.610 2.576 2.337 2.780 . 0 0 "[ . 1 .]" 1
947 1 135 ASN HA 1 135 ASN HD21 . . 4.230 4.083 3.934 4.230 . 7 0 "[ . 1 .]" 1
948 1 135 ASN HD22 1 136 THR MG . . 4.320 2.880 2.283 3.496 . 0 0 "[ . 1 .]" 1
949 1 135 ASN QB 1 136 THR H . . 3.510 3.353 3.007 3.480 . 0 0 "[ . 1 .]" 1
950 1 135 ASN QB 1 136 THR HA . . 4.840 4.681 4.534 4.779 . 0 0 "[ . 1 .]" 1
951 1 136 THR H 1 136 THR MG . . 3.400 3.383 3.255 3.403 0.003 8 0 "[ . 1 .]" 1
952 1 136 THR HA 1 139 ARG QD . . 4.640 2.421 1.927 2.773 . 0 0 "[ . 1 .]" 1
953 1 136 THR HB 1 139 ARG QD . . 5.250 4.781 4.193 5.250 0.000 4 0 "[ . 1 .]" 1
954 1 136 THR MG 1 139 ARG QB . . 3.680 3.659 3.589 3.686 0.006 1 0 "[ . 1 .]" 1
955 1 136 THR MG 1 139 ARG QD . . 3.360 3.021 2.514 3.360 0.000 14 0 "[ . 1 .]" 1
956 1 137 HIS H 1 137 HIS HB2 . . 3.570 2.396 2.074 2.909 . 0 0 "[ . 1 .]" 1
957 1 137 HIS H 1 137 HIS HB3 . . 3.870 2.855 2.230 3.585 . 0 0 "[ . 1 .]" 1
958 1 137 HIS H 1 137 HIS QB . . 3.200 2.206 2.053 2.379 . 0 0 "[ . 1 .]" 1
959 1 138 HIS H 1 138 HIS HB2 . . 3.770 2.464 2.135 2.663 . 0 0 "[ . 1 .]" 1
960 1 138 HIS H 1 138 HIS HB3 . . 3.770 2.756 2.560 3.137 . 0 0 "[ . 1 .]" 1
961 1 138 HIS H 1 138 HIS HD2 . . 5.080 4.848 4.220 5.075 . 0 0 "[ . 1 .]" 1
962 1 138 HIS H 1 138 HIS QB . . 3.030 2.282 2.099 2.421 . 0 0 "[ . 1 .]" 1
963 1 138 HIS H 1 139 ARG H . . 3.530 2.434 1.900 2.681 . 0 0 "[ . 1 .]" 1
964 1 138 HIS HA 1 139 ARG H . . 3.570 3.526 3.409 3.565 . 0 0 "[ . 1 .]" 1
965 1 138 HIS QB 1 139 ARG H . . 4.190 2.554 2.289 3.114 . 0 0 "[ . 1 .]" 1
966 1 139 ARG H 1 139 ARG QB . . 3.000 2.234 2.176 2.324 . 0 0 "[ . 1 .]" 1
967 1 139 ARG H 1 139 ARG QG . . 4.220 2.934 2.508 4.049 . 0 0 "[ . 1 .]" 1
968 1 139 ARG H 1 140 SER H . . 3.250 3.025 2.075 3.204 . 0 0 "[ . 1 .]" 1
969 1 139 ARG QB 1 140 SER H . . 3.160 2.220 2.057 2.906 . 0 0 "[ . 1 .]" 1
970 1 139 ARG QD 1 140 SER H . . 4.080 3.846 2.414 4.085 0.005 5 0 "[ . 1 .]" 1
971 1 140 SER H 1 140 SER QB . . 2.990 2.508 2.094 2.943 . 0 0 "[ . 1 .]" 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 61
_Distance_constraint_stats_list.Viol_count 915
_Distance_constraint_stats_list.Viol_total 12722.167
_Distance_constraint_stats_list.Viol_max 2.583
_Distance_constraint_stats_list.Viol_rms 0.4861
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9269
_Distance_constraint_stats_list.Viol_average_violations_only 0.9269
_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 9 ALA 18.420 0.687 6 15 [*****+*******-*]
1 13 ASP 18.420 0.687 6 15 [*****+*******-*]
1 29 GLU 32.735 1.352 4 15 [-**+***********]
1 30 SER 13.952 0.772 2 6 "[ + . *- 1 ** *]"
1 33 ALA 32.735 1.352 4 15 [-**+***********]
1 34 GLY 13.952 0.772 2 6 "[ + . *- 1 ** *]"
1 36 LEU 23.485 1.023 5 15 [*-**+**********]
1 37 ILE 19.235 0.866 5 13 "[****+ ***** **-]"
1 38 GLU 11.773 2.533 3 5 "[ + -* *1 * .]"
1 40 SER 23.485 1.023 5 15 [*-**+**********]
1 41 GLN 19.235 0.866 5 13 "[****+ ***** **-]"
1 42 GLU 11.773 2.533 3 5 "[ + -* *1 * .]"
1 52 PHE 13.193 0.784 8 7 "[* *. *+** -.]"
1 56 VAL 13.193 0.784 8 7 "[* *. *+** -.]"
1 60 CYS 6.141 0.547 8 1 "[ . + 1 .]"
1 62 LYS 52.330 2.323 2 15 [*+********-****]
1 64 SER 42.319 1.529 1 15 [+******-*******]
1 65 GLU 22.059 1.019 7 15 [******+**-*****]
1 66 LEU 72.923 2.323 2 15 [*+**-**********]
1 68 GLY 66.529 1.549 7 15 [******+*******-]
1 69 LEU 22.059 1.019 7 15 [******+**-*****]
1 70 VAL 20.593 0.869 12 15 [****-******+***]
1 72 TYR 30.351 1.549 7 15 [******+*******-]
1 82 THR 34.791 1.700 14 15 [*******-*****+*]
1 86 SER 51.735 1.700 14 15 [****-********+*]
1 88 LEU 23.150 1.046 8 15 [***-***+*******]
1 89 LYS 42.457 1.696 8 15 [*******+****-**]
1 90 SER 16.944 0.911 6 9 "[ **-+* *1** *.]"
1 92 THR 23.150 1.046 8 15 [***-***+*******]
1 93 GLU 77.384 1.696 8 15 [*******+*-*****]
1 94 LYS 45.088 1.960 4 15 [***+*****-*****]
1 97 LYS 76.738 1.589 13 15 [*********-**+**]
1 98 ILE 45.088 1.960 4 15 [***+*****-*****]
1 101 LEU 41.811 1.525 11 15 [********-*+****]
1 107 SER 36.372 1.666 7 15 [**-***+********]
1 109 VAL 21.986 1.198 14 12 "[***** * -*** +*]"
1 111 LEU 69.171 1.666 7 15 [******+********]
1 113 GLY 21.986 1.198 14 12 "[***** * -*** +*]"
1 114 LYS 19.724 1.122 2 12 "[*+* ****-1** **]"
1 115 TYR 64.822 1.689 11 15 [**********+*-**]
1 118 PHE 39.151 1.176 2 14 "[*+* ****-******]"
1 119 THR 32.023 1.689 11 15 [**********+*-**]
1 120 LYS 48.123 2.583 4 15 [***+-**********]
1 122 PHE 19.427 1.176 2 12 "[ + **********-]"
1 124 GLU 48.123 2.583 4 15 [***+-**********]
1 127 ILE 17.708 1.556 5 10 "[ * +****1** -*]"
1 131 GLU 17.708 1.556 5 10 "[ * +****1** -*]"
1 132 GLU 50.408 2.296 6 15 [-****+*********]
1 133 VAL 15.796 0.938 9 9 "[ ** *-* +1 ** *]"
1 134 ILE 14.167 0.936 5 8 "[* *+ *- ** *.]"
1 136 THR 50.408 2.296 6 15 [-****+*********]
1 137 HIS 15.796 0.938 9 9 "[ ** *-* +1 ** *]"
1 138 HIS 14.167 0.936 5 8 "[* *+ *- ** *.]"
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 9 ALA O 1 13 ASP H . . 1.790 2.469 2.398 2.477 0.687 6 15 [*****+********-] 2
2 1 9 ALA O 1 13 ASP N . . 2.680 3.229 3.165 3.237 0.557 6 14 [*****+*******-.] 2
3 1 29 GLU O 1 33 ALA H . . 1.790 2.848 2.463 3.111 1.321 3 15 [-*+************] 2
4 1 29 GLU O 1 33 ALA N . . 2.680 3.805 3.438 4.032 1.352 4 15 [-**+***********] 2
5 1 30 SER O 1 34 GLY H . . 1.790 2.304 2.171 2.562 0.772 2 6 "[ + . *- 1 ** *]" 2
6 1 30 SER O 1 34 GLY N . . 2.680 3.096 2.966 3.333 0.653 12 3 "[ * . 1 +- .]" 2
7 1 36 LEU O 1 40 SER H . . 1.790 2.610 2.429 2.791 1.001 12 15 [*-*********+***] 2
8 1 36 LEU O 1 40 SER N . . 2.680 3.426 3.248 3.703 1.023 5 15 [*-**+**********] 2
9 1 37 ILE O 1 41 GLN H . . 1.790 2.463 1.926 2.656 0.866 5 13 "[****+ ***** **-]" 2
10 1 37 ILE O 1 41 GLN N . . 2.680 3.290 2.745 3.487 0.807 5 13 "[****+ ***** **-]" 2
11 1 38 GLU O 1 42 GLU N . . 2.680 3.465 2.773 5.213 2.533 3 5 "[ + -* *1 * .]" 2
12 1 60 CYS O 1 64 SER H . . 1.790 2.086 2.032 2.337 0.547 8 1 "[ . + 1 .]" 2
13 1 60 CYS O 1 64 SER N . . 2.680 2.793 2.747 3.061 0.381 8 0 "[ . 1 .]" 2
14 1 62 LYS O 1 66 LEU H . . 1.790 3.594 3.248 4.113 2.323 2 15 [*+********-****] 2
15 1 62 LYS O 1 66 LEU N . . 2.680 4.365 4.049 4.832 2.152 2 15 [*+********-****] 2
16 1 66 LEU O 1 70 VAL H . . 1.790 2.579 2.431 2.659 0.869 12 15 [*********-*+***] 2
17 1 66 LEU O 1 70 VAL N . . 2.680 3.264 3.186 3.318 0.638 2 15 [*+**-**********] 2
18 1 86 SER O 1 90 SER H . . 1.790 2.372 2.070 2.701 0.911 6 9 "[ **-+* *1** *.]" 2
19 1 86 SER O 1 90 SER N . . 2.680 3.228 2.925 3.563 0.883 6 8 "[ **.+- *1** *.]" 2
20 1 88 LEU O 1 92 THR H . . 1.790 2.535 2.234 2.791 1.001 8 12 "[*-* .**+**** **]" 2
21 1 88 LEU O 1 92 THR N . . 2.680 3.478 3.185 3.726 1.046 8 15 [***-***+*******] 2
22 1 94 LYS O 1 98 ILE H . . 1.790 3.459 2.749 3.750 1.960 4 15 [***+*****-*****] 2
23 1 94 LYS O 1 98 ILE N . . 2.680 4.017 3.338 4.317 1.637 4 15 [***+*****-*****] 2
24 1 52 PHE O 1 56 VAL H . . 1.790 2.300 1.966 2.574 0.784 8 7 "[* -. *+** *.]" 2
25 1 52 PHE O 1 56 VAL N . . 2.680 3.050 2.745 3.291 0.611 10 6 "[* . ***+ -.]" 2
26 1 64 SER O 1 68 GLY H . . 1.790 3.107 2.901 3.319 1.529 1 15 [+********-*****] 2
27 1 64 SER O 1 68 GLY N . . 2.680 3.775 3.421 3.993 1.313 1 15 [+********-*****] 2
28 1 65 GLU O 1 69 LEU H . . 1.790 2.661 2.303 2.809 1.019 7 15 [******+**-*****] 2
29 1 65 GLU O 1 69 LEU N . . 2.680 3.279 2.955 3.405 0.725 7 14 [*-****+**1*****] 2
30 1 68 GLY O 1 72 TYR H . . 1.790 3.032 2.958 3.339 1.549 7 15 [******+******-*] 2
31 1 68 GLY O 1 72 TYR N . . 2.680 3.462 3.412 3.748 1.068 7 15 [******+*******-] 2
32 1 82 THR O 1 86 SER H . . 1.790 2.998 2.414 3.490 1.700 14 15 [*******-*****+*] 2
33 1 82 THR O 1 86 SER N . . 2.680 3.791 3.384 4.169 1.489 2 15 [*+*****-*******] 2
34 1 89 LYS O 1 93 GLU H . . 1.790 3.256 3.069 3.486 1.696 8 15 [*******+****-**] 2
35 1 89 LYS O 1 93 GLU N . . 2.680 4.044 3.862 4.259 1.579 8 15 [*******+****-**] 2
36 1 93 GLU O 1 97 LYS H . . 1.790 2.987 2.673 3.379 1.589 13 15 [*********-**+**] 2
37 1 93 GLU O 1 97 LYS N . . 2.680 3.811 3.583 4.181 1.501 13 15 [*-**********+**] 2
38 1 97 LYS O 1 101 LEU H . . 1.790 3.269 3.179 3.315 1.525 11 15 [********-*+****] 2
39 1 97 LYS O 1 101 LEU N . . 2.680 3.988 3.886 4.027 1.347 3 15 [**+*****-******] 2
40 1 114 LYS O 1 118 PHE H . . 1.790 2.502 2.046 2.912 1.122 2 12 "[*+* ****-1** **]" 2
41 1 114 LYS O 1 118 PHE N . . 2.680 3.283 2.833 3.682 1.002 2 11 "[*+* ****-1** *.]" 2
42 1 107 SER O 1 111 LEU H . . 1.790 3.057 2.808 3.456 1.666 7 15 [**-***+********] 2
43 1 107 SER O 1 111 LEU N . . 2.680 3.838 3.520 4.135 1.455 7 15 [**-***+********] 2
44 1 109 VAL O 1 113 GLY H . . 1.790 2.575 2.213 2.988 1.198 14 12 "[***** * -*** +*]" 2
45 1 109 VAL O 1 113 GLY N . . 2.680 3.360 3.000 3.772 1.092 14 12 "[***** * -*** +*]" 2
46 1 111 LEU O 1 115 TYR H . . 1.790 2.875 2.446 3.363 1.573 14 15 [******-******+*] 2
47 1 111 LEU O 1 115 TYR N . . 2.680 3.781 3.392 4.227 1.547 14 15 [******-******+*] 2
48 1 115 TYR O 1 119 THR H . . 1.790 2.897 2.330 3.479 1.689 11 15 [**********+*-**] 2
49 1 115 TYR O 1 119 THR N . . 2.680 3.708 3.270 4.158 1.478 11 15 [**********+*-**] 2
50 1 118 PHE O 1 122 PHE H . . 1.790 2.469 2.094 2.966 1.176 2 12 "[ + *****-*****]" 2
51 1 118 PHE O 1 122 PHE N . . 2.680 3.296 2.999 3.667 0.987 12 11 "[ * *******+ *-]" 2
52 1 120 LYS O 1 124 GLU H . . 1.790 3.490 2.758 4.373 2.583 4 15 [***+-**********] 2
53 1 120 LYS O 1 124 GLU N . . 2.680 4.188 3.467 5.125 2.445 4 15 [***+-**********] 2
54 1 127 ILE O 1 131 GLU H . . 1.790 2.483 1.933 3.346 1.556 5 10 "[ * +****1** *-]" 2
55 1 127 ILE O 1 131 GLU N . . 2.680 3.168 2.750 4.046 1.366 5 5 "[ + * 1** -.]" 2
56 1 132 GLU O 1 136 THR H . . 1.790 3.547 2.977 4.086 2.296 6 15 [***-*+*********] 2
57 1 132 GLU O 1 136 THR N . . 2.680 4.284 3.716 4.847 2.167 6 15 [-****+*********] 2
58 1 133 VAL O 1 137 HIS H . . 1.790 2.303 1.901 2.728 0.938 9 8 "[ -* * * +1 ** *]" 2
59 1 133 VAL O 1 137 HIS N . . 2.680 3.220 2.821 3.605 0.925 15 9 "[ ** *-* *1 ** +]" 2
60 1 134 ILE O 1 138 HIS H . . 1.790 2.319 1.885 2.726 0.936 5 8 "[* *+ -* ** *.]" 2
61 1 134 ILE O 1 138 HIS N . . 2.680 3.095 2.766 3.479 0.799 4 7 "[* +* - ** *.]" 2
stop_
save_