Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436597 | 2k1d RC | 15676 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k1d
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 824
_Distance_constraint_stats_list.Viol_count 287
_Distance_constraint_stats_list.Viol_total 55.158
_Distance_constraint_stats_list.Viol_max 0.169
_Distance_constraint_stats_list.Viol_rms 0.0034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0096
_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 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TYR 0.270 0.167 17 0 "[ . 1 . 2]"
1 44 VAL 0.102 0.073 17 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 SER 0.267 0.107 7 0 "[ . 1 . 2]"
1 48 ALA 0.029 0.006 13 0 "[ . 1 . 2]"
1 49 MET 0.084 0.012 5 0 "[ . 1 . 2]"
1 50 SER 0.003 0.002 2 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.036 0.007 6 0 "[ . 1 . 2]"
1 54 ILE 0.179 0.014 6 0 "[ . 1 . 2]"
1 55 HIS 0.127 0.086 18 0 "[ . 1 . 2]"
1 56 PHE 0.031 0.026 18 0 "[ . 1 . 2]"
1 57 GLY 0.012 0.012 18 0 "[ . 1 . 2]"
1 58 SER 0.062 0.026 18 0 "[ . 1 . 2]"
1 59 ASP 0.011 0.009 18 0 "[ . 1 . 2]"
1 60 TYR 0.593 0.169 16 0 "[ . 1 . 2]"
1 61 GLU 0.425 0.169 16 0 "[ . 1 . 2]"
1 62 ASP 0.066 0.065 6 0 "[ . 1 . 2]"
1 63 ARG 0.035 0.014 6 0 "[ . 1 . 2]"
1 64 TYR 0.014 0.010 11 0 "[ . 1 . 2]"
1 65 TYR 0.049 0.007 16 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.030 0.012 18 0 "[ . 1 . 2]"
1 68 ASN 0.024 0.012 18 0 "[ . 1 . 2]"
1 69 MET 0.246 0.041 9 0 "[ . 1 . 2]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 0.038 0.038 10 0 "[ . 1 . 2]"
1 72 TYR 0.102 0.011 17 0 "[ . 1 . 2]"
1 73 PRO 0.029 0.008 4 0 "[ . 1 . 2]"
1 74 ASN 0.018 0.006 13 0 "[ . 1 . 2]"
1 75 GLN 0.024 0.008 14 0 "[ . 1 . 2]"
1 76 VAL 0.075 0.012 14 0 "[ . 1 . 2]"
1 77 TYR 0.004 0.003 4 0 "[ . 1 . 2]"
1 78 TYR 0.030 0.015 14 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.001 0.001 14 0 "[ . 1 . 2]"
1 94 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 0.014 0.007 14 0 "[ . 1 . 2]"
1 96 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 THR 0.006 0.003 4 0 "[ . 1 . 2]"
1 99 ILE 0.005 0.004 14 0 "[ . 1 . 2]"
1 100 LYS 0.011 0.003 19 0 "[ . 1 . 2]"
1 101 GLN 0.001 0.001 19 0 "[ . 1 . 2]"
1 102 HIS 0.006 0.003 19 0 "[ . 1 . 2]"
1 103 THR 0.005 0.003 19 0 "[ . 1 . 2]"
1 104 VAL 0.001 0.001 18 0 "[ . 1 . 2]"
1 105 THR 0.000 0.000 2 0 "[ . 1 . 2]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 THR 0.000 0.000 2 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 PHE 0.001 0.000 15 0 "[ . 1 . 2]"
1 114 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLU 0.002 0.001 13 0 "[ . 1 . 2]"
1 116 THR 0.000 0.000 4 0 "[ . 1 . 2]"
1 117 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 0.002 0.001 13 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 20 0 "[ . 1 . 2]"
1 120 MET 0.021 0.010 11 0 "[ . 1 . 2]"
1 121 MET 0.148 0.037 7 0 "[ . 1 . 2]"
1 122 GLU 0.003 0.001 11 0 "[ . 1 . 2]"
1 123 ARG 0.027 0.016 2 0 "[ . 1 . 2]"
1 124 VAL 0.119 0.016 2 0 "[ . 1 . 2]"
1 125 VAL 0.010 0.004 14 0 "[ . 1 . 2]"
1 126 GLU 0.043 0.026 10 0 "[ . 1 . 2]"
1 127 GLN 0.107 0.033 20 0 "[ . 1 . 2]"
1 128 MET 0.062 0.012 14 0 "[ . 1 . 2]"
1 129 CYS 0.097 0.033 20 0 "[ . 1 . 2]"
1 130 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 THR 0.030 0.012 5 0 "[ . 1 . 2]"
1 132 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 TYR 0.223 0.069 14 0 "[ . 1 . 2]"
1 134 GLU 0.223 0.069 14 0 "[ . 1 . 2]"
1 135 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ARG 0.025 0.025 14 0 "[ . 1 . 2]"
1 144 GLY 0.025 0.025 14 0 "[ . 1 . 2]"
1 145 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 40 LEU QB 1 42 GLY H . . 5.120 4.274 2.543 4.978 . 0 0 "[ . 1 . 2]" 1
2 1 40 LEU HB2 1 41 GLY H . . 4.470 3.308 2.151 4.454 . 0 0 "[ . 1 . 2]" 1
3 1 40 LEU HB3 1 41 GLY H . . 4.470 2.903 2.262 4.043 . 0 0 "[ . 1 . 2]" 1
4 1 40 LEU QD 1 41 GLY H . . 4.120 3.204 1.924 4.030 . 0 0 "[ . 1 . 2]" 1
5 1 40 LEU MD1 1 41 GLY H . . 4.740 3.957 2.137 4.736 . 0 0 "[ . 1 . 2]" 1
6 1 40 LEU MD2 1 41 GLY H . . 4.740 3.842 1.928 4.626 . 0 0 "[ . 1 . 2]" 1
7 1 41 GLY QA 1 42 GLY H . . 3.100 2.469 2.112 2.870 . 0 0 "[ . 1 . 2]" 1
8 1 42 GLY H 1 43 TYR H . . 3.160 2.554 2.030 3.091 . 0 0 "[ . 1 . 2]" 1
9 1 43 TYR H 1 43 TYR QB . . 3.110 2.572 2.198 3.277 0.167 17 0 "[ . 1 . 2]" 1
10 1 43 TYR H 1 43 TYR QD . . 3.220 2.688 2.088 3.251 0.031 17 0 "[ . 1 . 2]" 1
11 1 43 TYR H 1 43 TYR QE . . 5.030 4.681 4.209 5.020 . 0 0 "[ . 1 . 2]" 1
12 1 43 TYR H 1 44 VAL H . . 4.500 4.247 3.444 4.573 0.073 17 0 "[ . 1 . 2]" 1
13 1 43 TYR HA 1 43 TYR QE . . 4.720 4.569 4.259 4.720 . 15 0 "[ . 1 . 2]" 1
14 1 43 TYR HA 1 78 TYR H . . 5.060 4.542 3.897 5.002 . 0 0 "[ . 1 . 2]" 1
15 1 43 TYR QB 1 44 VAL H . . 4.320 3.171 1.951 3.818 . 0 0 "[ . 1 . 2]" 1
16 1 44 VAL H 1 44 VAL MG1 . . 4.600 2.564 1.989 3.813 . 0 0 "[ . 1 . 2]" 1
17 1 44 VAL H 1 44 VAL QG . . 3.390 2.067 1.850 2.431 . 0 0 "[ . 1 . 2]" 1
18 1 44 VAL H 1 44 VAL MG2 . . 4.600 2.977 1.940 3.862 . 0 0 "[ . 1 . 2]" 1
19 1 44 VAL H 1 78 TYR H . . 3.930 3.815 3.401 3.945 0.015 14 0 "[ . 1 . 2]" 1
20 1 44 VAL HA 1 44 VAL MG1 . . 3.690 2.745 2.187 3.204 . 0 0 "[ . 1 . 2]" 1
21 1 44 VAL HA 1 44 VAL QG . . 3.070 2.197 2.042 2.332 . 0 0 "[ . 1 . 2]" 1
22 1 44 VAL HA 1 44 VAL MG2 . . 3.690 2.534 2.212 3.203 . 0 0 "[ . 1 . 2]" 1
23 1 44 VAL HB 1 45 LEU H . . 4.120 3.638 2.255 4.035 . 0 0 "[ . 1 . 2]" 1
24 1 44 VAL QG 1 45 LEU H . . 3.450 2.435 2.029 3.413 . 0 0 "[ . 1 . 2]" 1
25 1 44 VAL QG 1 77 TYR QD . . 5.440 3.494 2.109 5.264 . 0 0 "[ . 1 . 2]" 1
26 1 44 VAL QG 1 78 TYR H . . 4.640 2.916 2.071 3.600 . 0 0 "[ . 1 . 2]" 1
27 1 44 VAL QG 1 78 TYR HA . . 5.440 4.891 3.985 5.453 0.013 14 0 "[ . 1 . 2]" 1
28 1 44 VAL QG 1 78 TYR QE . . 5.440 3.197 1.814 5.385 . 0 0 "[ . 1 . 2]" 1
29 1 44 VAL MG1 1 45 LEU H . . 4.330 3.349 2.050 3.908 . 0 0 "[ . 1 . 2]" 1
30 1 44 VAL MG2 1 45 LEU H . . 4.330 2.967 2.037 3.992 . 0 0 "[ . 1 . 2]" 1
31 1 45 LEU H 1 45 LEU QD . . 4.960 3.627 2.839 4.057 . 0 0 "[ . 1 . 2]" 1
32 1 45 LEU QD 1 46 GLY H . . 3.670 2.867 1.954 3.475 . 0 0 "[ . 1 . 2]" 1
33 1 46 GLY H 1 47 SER H . . 4.530 3.053 1.897 3.871 . 0 0 "[ . 1 . 2]" 1
34 1 46 GLY H 1 47 SER HA . . 4.520 4.284 4.081 4.514 . 0 0 "[ . 1 . 2]" 1
35 1 47 SER H 1 47 SER HA . . 2.830 2.744 2.275 2.937 0.107 7 0 "[ . 1 . 2]" 1
36 1 47 SER H 1 47 SER HB2 . . 3.720 3.192 2.249 3.728 0.008 8 0 "[ . 1 . 2]" 1
37 1 47 SER H 1 47 SER QB . . 3.170 2.918 2.172 3.185 0.015 8 0 "[ . 1 . 2]" 1
38 1 47 SER H 1 47 SER HB3 . . 3.720 3.474 2.866 3.718 . 0 0 "[ . 1 . 2]" 1
39 1 47 SER QB 1 48 ALA H . . 3.190 2.473 1.961 2.897 . 0 0 "[ . 1 . 2]" 1
40 1 47 SER QB 1 48 ALA MB . . 4.480 3.922 3.083 4.458 . 0 0 "[ . 1 . 2]" 1
41 1 47 SER HB2 1 48 ALA H . . 3.760 3.314 2.116 3.754 . 0 0 "[ . 1 . 2]" 1
42 1 47 SER HB3 1 48 ALA H . . 3.760 2.749 1.971 3.624 . 0 0 "[ . 1 . 2]" 1
43 1 48 ALA H 1 48 ALA MB . . 2.880 2.414 2.029 2.886 0.006 13 0 "[ . 1 . 2]" 1
44 1 48 ALA H 1 75 GLN QE . . 5.340 4.436 2.088 5.330 . 0 0 "[ . 1 . 2]" 1
45 1 48 ALA HA 1 49 MET H . . 2.820 2.602 2.278 2.717 . 0 0 "[ . 1 . 2]" 1
46 1 48 ALA HA 1 49 MET ME . . 4.210 3.952 2.614 4.208 . 0 0 "[ . 1 . 2]" 1
47 1 48 ALA HA 1 75 GLN HE21 . . 4.730 3.920 2.430 4.725 . 0 0 "[ . 1 . 2]" 1
48 1 48 ALA HA 1 75 GLN QE . . 3.940 3.545 2.359 3.945 0.005 19 0 "[ . 1 . 2]" 1
49 1 48 ALA HA 1 75 GLN HE22 . . 4.730 4.209 3.193 4.727 . 0 0 "[ . 1 . 2]" 1
50 1 48 ALA MB 1 49 MET H . . 3.020 2.149 1.916 2.730 . 0 0 "[ . 1 . 2]" 1
51 1 48 ALA MB 1 49 MET QB . . 4.420 4.228 3.944 4.423 0.003 13 0 "[ . 1 . 2]" 1
52 1 48 ALA MB 1 49 MET ME . . 4.970 4.832 3.873 4.973 0.003 2 0 "[ . 1 . 2]" 1
53 1 48 ALA MB 1 74 ASN HD21 . . 3.860 2.930 2.013 3.801 . 0 0 "[ . 1 . 2]" 1
54 1 48 ALA MB 1 74 ASN HD22 . . 3.860 2.754 1.874 3.865 0.005 11 0 "[ . 1 . 2]" 1
55 1 48 ALA MB 1 75 GLN QE . . 4.730 3.877 2.070 4.650 . 0 0 "[ . 1 . 2]" 1
56 1 49 MET H 1 49 MET QB . . 3.310 2.659 2.169 3.290 . 0 0 "[ . 1 . 2]" 1
57 1 49 MET H 1 49 MET ME . . 4.750 4.262 3.287 4.751 0.001 6 0 "[ . 1 . 2]" 1
58 1 49 MET H 1 49 MET HG2 . . 4.480 3.386 2.128 4.480 0.000 7 0 "[ . 1 . 2]" 1
59 1 49 MET H 1 49 MET QG . . 3.800 2.957 2.114 3.800 0.000 16 0 "[ . 1 . 2]" 1
60 1 49 MET H 1 49 MET HG3 . . 4.480 3.849 2.846 4.289 . 0 0 "[ . 1 . 2]" 1
61 1 49 MET HA 1 49 MET ME . . 4.610 4.268 3.708 4.611 0.001 20 0 "[ . 1 . 2]" 1
62 1 49 MET HA 1 49 MET QG . . 3.640 2.771 2.276 3.426 . 0 0 "[ . 1 . 2]" 1
63 1 49 MET HA 1 50 SER H . . 2.710 2.287 2.205 2.511 . 0 0 "[ . 1 . 2]" 1
64 1 49 MET HA 1 131 THR MG . . 4.170 3.839 3.065 4.182 0.012 5 0 "[ . 1 . 2]" 1
65 1 49 MET QB 1 50 SER H . . 2.930 2.723 2.172 2.932 0.002 2 0 "[ . 1 . 2]" 1
66 1 49 MET ME 1 76 VAL H . . 4.650 4.139 2.488 4.656 0.006 11 0 "[ . 1 . 2]" 1
67 1 49 MET ME 1 76 VAL MG1 . . 3.680 3.422 2.942 3.688 0.008 14 0 "[ . 1 . 2]" 1
68 1 49 MET ME 1 76 VAL MG2 . . 3.240 2.927 2.306 3.248 0.008 13 0 "[ . 1 . 2]" 1
69 1 49 MET ME 1 128 MET H . . 5.500 5.379 4.341 5.505 0.005 2 0 "[ . 1 . 2]" 1
70 1 49 MET ME 1 128 MET HA . . 3.670 3.304 2.300 3.575 . 0 0 "[ . 1 . 2]" 1
71 1 49 MET ME 1 129 CYS H . . 5.500 5.141 4.375 5.498 . 0 0 "[ . 1 . 2]" 1
72 1 49 MET ME 1 131 THR HA . . 5.500 5.265 4.464 5.505 0.005 1 0 "[ . 1 . 2]" 1
73 1 49 MET ME 1 131 THR HB . . 3.240 2.826 1.966 3.214 . 0 0 "[ . 1 . 2]" 1
74 1 49 MET ME 1 131 THR MG . . 3.280 3.103 2.466 3.283 0.003 13 0 "[ . 1 . 2]" 1
75 1 49 MET ME 1 132 GLN H . . 4.840 3.680 3.086 4.239 . 0 0 "[ . 1 . 2]" 1
76 1 49 MET ME 1 132 GLN HA . . 4.020 3.727 3.186 4.018 . 0 0 "[ . 1 . 2]" 1
77 1 49 MET ME 1 132 GLN QE . . 4.130 3.059 2.241 4.124 . 0 0 "[ . 1 . 2]" 1
78 1 49 MET QG 1 50 SER H . . 4.750 4.201 3.121 4.650 . 0 0 "[ . 1 . 2]" 1
79 1 49 MET HG2 1 50 SER H . . 5.500 4.856 3.999 5.122 . 0 0 "[ . 1 . 2]" 1
80 1 49 MET HG3 1 50 SER H . . 5.500 4.654 3.195 5.332 . 0 0 "[ . 1 . 2]" 1
81 1 50 SER H 1 50 SER HB2 . . 3.510 2.824 2.151 3.419 . 0 0 "[ . 1 . 2]" 1
82 1 50 SER H 1 50 SER QB . . 3.010 2.516 2.130 2.998 . 0 0 "[ . 1 . 2]" 1
83 1 50 SER H 1 50 SER HB3 . . 3.510 3.064 2.242 3.485 . 0 0 "[ . 1 . 2]" 1
84 1 51 ARG HB2 1 51 ARG HE . . 4.270 3.072 2.040 4.106 . 0 0 "[ . 1 . 2]" 1
85 1 51 ARG HB3 1 51 ARG HE . . 4.270 3.380 2.464 4.269 . 0 0 "[ . 1 . 2]" 1
86 1 52 PRO QB 1 53 ILE H . . 4.090 3.279 2.050 3.912 . 0 0 "[ . 1 . 2]" 1
87 1 53 ILE H 1 53 ILE HB . . 3.590 2.567 2.419 2.716 . 0 0 "[ . 1 . 2]" 1
88 1 53 ILE H 1 53 ILE MD . . 4.160 3.043 1.899 4.160 0.000 5 0 "[ . 1 . 2]" 1
89 1 53 ILE H 1 53 ILE MG . . 3.890 3.376 2.115 3.879 . 0 0 "[ . 1 . 2]" 1
90 1 53 ILE H 1 54 ILE H . . 4.870 4.404 4.013 4.616 . 0 0 "[ . 1 . 2]" 1
91 1 53 ILE H 1 69 MET ME . . 5.040 4.727 3.657 5.045 0.005 18 0 "[ . 1 . 2]" 1
92 1 53 ILE HA 1 53 ILE MD . . 4.040 2.725 1.977 3.855 . 0 0 "[ . 1 . 2]" 1
93 1 53 ILE HA 1 53 ILE MG . . 3.370 2.541 2.276 3.200 . 0 0 "[ . 1 . 2]" 1
94 1 53 ILE HA 1 54 ILE H . . 3.470 2.177 2.145 2.210 . 0 0 "[ . 1 . 2]" 1
95 1 53 ILE HA 1 65 TYR QE . . 3.830 3.339 1.997 3.836 0.006 13 0 "[ . 1 . 2]" 1
96 1 53 ILE HB 1 54 ILE H . . 4.790 4.292 4.051 4.435 . 0 0 "[ . 1 . 2]" 1
97 1 53 ILE MD 1 54 ILE H . . 5.090 4.092 2.552 5.092 0.002 1 0 "[ . 1 . 2]" 1
98 1 53 ILE MD 1 69 MET ME . . 3.720 2.647 1.785 3.724 0.004 18 0 "[ . 1 . 2]" 1
99 1 53 ILE MG 1 54 ILE H . . 3.740 3.153 2.304 3.747 0.007 6 0 "[ . 1 . 2]" 1
100 1 54 ILE H 1 54 ILE HB . . 3.820 2.786 2.543 3.071 . 0 0 "[ . 1 . 2]" 1
101 1 54 ILE H 1 54 ILE MD . . 4.540 4.471 4.368 4.554 0.014 6 0 "[ . 1 . 2]" 1
102 1 54 ILE H 1 54 ILE MG . . 4.300 2.111 1.993 2.197 . 0 0 "[ . 1 . 2]" 1
103 1 54 ILE H 1 55 HIS H . . 4.890 4.545 4.379 4.615 . 0 0 "[ . 1 . 2]" 1
104 1 54 ILE H 1 65 TYR QD . . 5.350 5.045 3.544 5.352 0.002 14 0 "[ . 1 . 2]" 1
105 1 54 ILE H 1 65 TYR QE . . 3.370 3.105 2.142 3.365 . 0 0 "[ . 1 . 2]" 1
106 1 54 ILE H 1 69 MET ME . . 5.140 4.541 4.200 4.924 . 0 0 "[ . 1 . 2]" 1
107 1 54 ILE HA 1 54 ILE MD . . 3.830 3.457 2.891 3.780 . 0 0 "[ . 1 . 2]" 1
108 1 54 ILE HA 1 55 HIS H . . 2.620 2.268 2.189 2.316 . 0 0 "[ . 1 . 2]" 1
109 1 54 ILE HA 1 124 VAL QG . . 5.440 4.499 3.683 5.058 . 0 0 "[ . 1 . 2]" 1
110 1 54 ILE HB 1 55 HIS H . . 5.250 4.014 3.957 4.170 . 0 0 "[ . 1 . 2]" 1
111 1 54 ILE MD 1 54 ILE MG . . 3.240 2.503 1.997 3.003 . 0 0 "[ . 1 . 2]" 1
112 1 54 ILE MD 1 55 HIS H . . 4.270 3.717 3.487 3.873 . 0 0 "[ . 1 . 2]" 1
113 1 54 ILE MD 1 72 TYR QD . . 5.500 5.474 4.965 5.510 0.010 13 0 "[ . 1 . 2]" 1
114 1 54 ILE MD 1 123 ARG H . . 5.080 4.640 4.209 5.081 0.001 11 0 "[ . 1 . 2]" 1
115 1 54 ILE MD 1 123 ARG QB . . 3.650 2.377 1.912 3.277 . 0 0 "[ . 1 . 2]" 1
116 1 54 ILE MD 1 123 ARG HE . . 5.010 3.658 2.302 4.933 . 0 0 "[ . 1 . 2]" 1
117 1 54 ILE MD 1 123 ARG QG . . 3.900 2.884 1.934 3.900 0.000 11 0 "[ . 1 . 2]" 1
118 1 54 ILE MD 1 124 VAL H . . 4.120 3.160 2.542 3.575 . 0 0 "[ . 1 . 2]" 1
119 1 54 ILE MD 1 124 VAL HA . . 3.540 1.914 1.882 2.093 . 0 0 "[ . 1 . 2]" 1
120 1 54 ILE MD 1 124 VAL HB . . 4.400 3.952 2.008 4.321 . 0 0 "[ . 1 . 2]" 1
121 1 54 ILE MD 1 124 VAL MG1 . . 4.570 3.113 2.802 3.530 . 0 0 "[ . 1 . 2]" 1
122 1 54 ILE MD 1 124 VAL QG . . 3.500 2.337 1.931 3.003 . 0 0 "[ . 1 . 2]" 1
123 1 54 ILE MD 1 124 VAL MG2 . . 4.570 2.463 1.944 3.252 . 0 0 "[ . 1 . 2]" 1
124 1 54 ILE MD 1 126 GLU QB . . 4.680 4.114 3.557 4.528 . 0 0 "[ . 1 . 2]" 1
125 1 54 ILE MD 1 127 GLN H . . 4.470 3.427 3.169 4.012 . 0 0 "[ . 1 . 2]" 1
126 1 54 ILE QG 1 55 HIS H . . 4.220 2.019 1.916 2.169 . 0 0 "[ . 1 . 2]" 1
127 1 54 ILE QG 1 124 VAL QG . . 3.530 3.487 3.107 3.538 0.008 20 0 "[ . 1 . 2]" 1
128 1 54 ILE QG 1 127 GLN H . . 5.340 5.303 5.069 5.349 0.009 6 0 "[ . 1 . 2]" 1
129 1 54 ILE HG12 1 55 HIS H . . 4.820 2.771 2.261 3.733 . 0 0 "[ . 1 . 2]" 1
130 1 54 ILE HG13 1 55 HIS H . . 4.820 2.142 1.945 2.689 . 0 0 "[ . 1 . 2]" 1
131 1 54 ILE MG 1 55 HIS H . . 3.760 3.596 3.464 3.761 0.001 17 0 "[ . 1 . 2]" 1
132 1 54 ILE MG 1 72 TYR QD . . 5.400 5.051 3.882 5.405 0.005 20 0 "[ . 1 . 2]" 1
133 1 54 ILE MG 1 123 ARG H . . 5.500 5.439 5.261 5.502 0.002 11 0 "[ . 1 . 2]" 1
134 1 54 ILE MG 1 123 ARG QB . . 4.600 3.173 2.961 3.477 . 0 0 "[ . 1 . 2]" 1
135 1 54 ILE MG 1 123 ARG QD . . 4.570 3.474 2.510 4.570 0.000 6 0 "[ . 1 . 2]" 1
136 1 54 ILE MG 1 123 ARG HE . . 4.850 4.236 3.386 4.854 0.004 6 0 "[ . 1 . 2]" 1
137 1 55 HIS H 1 55 HIS HB2 . . 3.670 2.527 2.068 3.594 . 0 0 "[ . 1 . 2]" 1
138 1 55 HIS H 1 55 HIS QB . . 2.900 2.341 2.048 2.940 0.040 18 0 "[ . 1 . 2]" 1
139 1 55 HIS H 1 55 HIS HB3 . . 3.670 3.315 2.549 3.756 0.086 18 0 "[ . 1 . 2]" 1
140 1 55 HIS H 1 55 HIS HD2 . . 4.790 3.541 2.018 4.573 . 0 0 "[ . 1 . 2]" 1
141 1 55 HIS H 1 56 PHE H . . 4.650 4.451 4.325 4.643 . 0 0 "[ . 1 . 2]" 1
142 1 56 PHE H 1 57 GLY H . . 3.410 2.926 2.569 3.155 . 0 0 "[ . 1 . 2]" 1
143 1 56 PHE H 1 58 SER H . . 5.060 4.936 4.335 5.064 0.004 4 0 "[ . 1 . 2]" 1
144 1 56 PHE HA 1 58 SER H . . 4.930 4.139 3.816 4.956 0.026 18 0 "[ . 1 . 2]" 1
145 1 56 PHE QB 1 57 GLY H . . 3.240 2.027 1.929 2.797 . 0 0 "[ . 1 . 2]" 1
146 1 56 PHE QB 1 58 SER H . . 3.310 2.513 2.160 3.103 . 0 0 "[ . 1 . 2]" 1
147 1 56 PHE HB2 1 57 GLY H . . 3.860 2.181 1.949 2.890 . 0 0 "[ . 1 . 2]" 1
148 1 56 PHE HB2 1 58 SER H . . 3.780 3.168 2.763 3.780 . 0 0 "[ . 1 . 2]" 1
149 1 56 PHE HB3 1 57 GLY H . . 3.860 2.991 2.184 3.725 . 0 0 "[ . 1 . 2]" 1
150 1 56 PHE HB3 1 58 SER H . . 3.780 2.722 2.173 3.604 . 0 0 "[ . 1 . 2]" 1
151 1 57 GLY H 1 58 SER H . . 2.870 2.595 1.900 2.882 0.012 18 0 "[ . 1 . 2]" 1
152 1 58 SER H 1 58 SER QB . . 3.520 2.759 2.203 3.247 . 0 0 "[ . 1 . 2]" 1
153 1 58 SER H 1 60 TYR H . . 5.500 5.330 5.081 5.500 . 0 0 "[ . 1 . 2]" 1
154 1 58 SER H 1 61 GLU H . . 4.820 4.762 4.151 4.835 0.015 6 0 "[ . 1 . 2]" 1
155 1 58 SER H 1 61 GLU QB . . 5.200 3.840 2.864 4.576 . 0 0 "[ . 1 . 2]" 1
156 1 58 SER H 1 62 ASP H . . 4.740 4.374 3.992 4.740 . 1 0 "[ . 1 . 2]" 1
157 1 58 SER HA 1 59 ASP H . . 3.480 2.175 2.138 2.481 . 0 0 "[ . 1 . 2]" 1
158 1 58 SER HA 1 60 TYR H . . 4.400 3.790 3.464 4.321 . 0 0 "[ . 1 . 2]" 1
159 1 58 SER HA 1 61 GLU H . . 5.490 4.532 4.093 4.869 . 0 0 "[ . 1 . 2]" 1
160 1 58 SER QB 1 59 ASP H . . 3.740 3.398 2.303 3.740 0.000 4 0 "[ . 1 . 2]" 1
161 1 58 SER QB 1 60 TYR H . . 4.000 3.041 2.377 3.739 . 0 0 "[ . 1 . 2]" 1
162 1 58 SER QB 1 61 GLU H . . 4.730 2.325 1.980 3.357 . 0 0 "[ . 1 . 2]" 1
163 1 58 SER HB2 1 60 TYR H . . 4.790 4.183 3.046 4.791 0.001 11 0 "[ . 1 . 2]" 1
164 1 58 SER HB3 1 60 TYR H . . 4.790 3.325 2.412 4.592 . 0 0 "[ . 1 . 2]" 1
165 1 59 ASP H 1 59 ASP QB . . 2.870 2.155 2.044 2.353 . 0 0 "[ . 1 . 2]" 1
166 1 59 ASP H 1 60 TYR H . . 3.100 2.656 2.367 2.790 . 0 0 "[ . 1 . 2]" 1
167 1 59 ASP H 1 61 GLU H . . 4.600 4.450 4.185 4.601 0.001 16 0 "[ . 1 . 2]" 1
168 1 59 ASP HA 1 59 ASP QB . . 2.790 2.486 2.322 2.539 . 0 0 "[ . 1 . 2]" 1
169 1 59 ASP HA 1 62 ASP QB . . 3.950 2.378 2.138 2.684 . 0 0 "[ . 1 . 2]" 1
170 1 59 ASP HA 1 63 ARG H . . 4.900 4.590 3.612 4.909 0.009 18 0 "[ . 1 . 2]" 1
171 1 59 ASP QB 1 60 TYR H . . 3.310 2.823 2.610 2.980 . 0 0 "[ . 1 . 2]" 1
172 1 60 TYR H 1 60 TYR HA . . 2.900 2.828 2.760 2.855 . 0 0 "[ . 1 . 2]" 1
173 1 60 TYR H 1 60 TYR QB . . 2.800 2.522 2.049 2.619 . 0 0 "[ . 1 . 2]" 1
174 1 60 TYR H 1 60 TYR QD . . 3.950 2.606 2.301 3.437 . 0 0 "[ . 1 . 2]" 1
175 1 60 TYR H 1 60 TYR QE . . 5.500 4.233 3.982 5.627 0.127 16 0 "[ . 1 . 2]" 1
176 1 60 TYR H 1 61 GLU H . . 3.120 2.692 2.543 2.940 . 0 0 "[ . 1 . 2]" 1
177 1 60 TYR H 1 62 ASP H . . 4.060 3.835 3.720 4.048 . 0 0 "[ . 1 . 2]" 1
178 1 60 TYR HA 1 60 TYR QD . . 3.350 2.764 2.401 2.959 . 0 0 "[ . 1 . 2]" 1
179 1 60 TYR HA 1 63 ARG H . . 4.440 3.881 3.712 4.033 . 0 0 "[ . 1 . 2]" 1
180 1 60 TYR QB 1 61 GLU H . . 3.470 2.383 2.282 2.686 . 0 0 "[ . 1 . 2]" 1
181 1 60 TYR QB 1 62 ASP H . . 5.330 4.457 4.337 4.692 . 0 0 "[ . 1 . 2]" 1
182 1 60 TYR HB2 1 61 GLU H . . 4.100 2.488 2.310 3.118 . 0 0 "[ . 1 . 2]" 1
183 1 60 TYR HB3 1 61 GLU H . . 4.100 3.532 2.449 3.916 . 0 0 "[ . 1 . 2]" 1
184 1 60 TYR QD 1 61 GLU H . . 4.090 3.778 3.633 4.259 0.169 16 0 "[ . 1 . 2]" 1
185 1 60 TYR QD 1 61 GLU QB . . 5.340 5.308 5.165 5.340 . 4 0 "[ . 1 . 2]" 1
186 1 60 TYR QD 1 61 GLU HG2 . . 5.500 5.110 4.313 5.499 . 0 0 "[ . 1 . 2]" 1
187 1 60 TYR QD 1 61 GLU QG . . 4.730 4.415 4.132 4.686 . 0 0 "[ . 1 . 2]" 1
188 1 60 TYR QD 1 61 GLU HG3 . . 5.500 4.951 4.297 5.470 . 0 0 "[ . 1 . 2]" 1
189 1 61 GLU H 1 61 GLU QB . . 3.540 2.354 2.069 2.572 . 0 0 "[ . 1 . 2]" 1
190 1 61 GLU H 1 61 GLU QG . . 3.510 2.535 1.955 3.210 . 0 0 "[ . 1 . 2]" 1
191 1 61 GLU H 1 62 ASP H . . 3.570 2.537 2.499 2.707 . 0 0 "[ . 1 . 2]" 1
192 1 61 GLU H 1 62 ASP QB . . 5.340 4.273 4.184 4.401 . 0 0 "[ . 1 . 2]" 1
193 1 61 GLU H 1 120 MET ME . . 5.160 4.968 4.590 5.164 0.004 9 0 "[ . 1 . 2]" 1
194 1 61 GLU HA 1 64 TYR H . . 3.760 3.418 3.334 3.506 . 0 0 "[ . 1 . 2]" 1
195 1 61 GLU HA 1 120 MET ME . . 3.290 2.948 2.431 3.261 . 0 0 "[ . 1 . 2]" 1
196 1 61 GLU QB 1 62 ASP H . . 3.230 2.834 2.748 3.295 0.065 6 0 "[ . 1 . 2]" 1
197 1 62 ASP H 1 62 ASP HB2 . . 3.960 2.445 2.108 2.739 . 0 0 "[ . 1 . 2]" 1
198 1 62 ASP H 1 62 ASP QB . . 3.110 2.212 2.089 2.255 . 0 0 "[ . 1 . 2]" 1
199 1 62 ASP H 1 62 ASP HB3 . . 3.960 2.705 2.338 3.474 . 0 0 "[ . 1 . 2]" 1
200 1 62 ASP H 1 63 ARG QD . . 5.500 5.077 4.651 5.501 0.001 4 0 "[ . 1 . 2]" 1
201 1 62 ASP H 1 63 ARG QG . . 4.700 4.355 3.848 4.699 . 0 0 "[ . 1 . 2]" 1
202 1 62 ASP H 1 120 MET ME . . 5.500 4.938 4.588 5.330 . 0 0 "[ . 1 . 2]" 1
203 1 62 ASP QB 1 63 ARG H . . 3.650 2.741 2.366 2.862 . 0 0 "[ . 1 . 2]" 1
204 1 62 ASP HB2 1 63 ARG H . . 4.180 3.820 3.072 4.134 . 0 0 "[ . 1 . 2]" 1
205 1 62 ASP HB3 1 63 ARG H . . 4.180 2.857 2.399 3.414 . 0 0 "[ . 1 . 2]" 1
206 1 63 ARG H 1 63 ARG QB . . 3.050 2.436 2.286 2.613 . 0 0 "[ . 1 . 2]" 1
207 1 63 ARG H 1 63 ARG QD . . 4.460 3.308 2.912 3.801 . 0 0 "[ . 1 . 2]" 1
208 1 63 ARG H 1 63 ARG HE . . 5.050 4.802 2.347 5.060 0.010 6 0 "[ . 1 . 2]" 1
209 1 63 ARG H 1 63 ARG QG . . 3.850 2.249 1.924 2.591 . 0 0 "[ . 1 . 2]" 1
210 1 63 ARG HA 1 63 ARG HG2 . . 4.200 2.871 2.581 3.283 . 0 0 "[ . 1 . 2]" 1
211 1 63 ARG HA 1 63 ARG QG . . 3.570 2.575 2.365 3.098 . 0 0 "[ . 1 . 2]" 1
212 1 63 ARG HA 1 63 ARG HG3 . . 4.200 3.005 2.507 3.800 . 0 0 "[ . 1 . 2]" 1
213 1 63 ARG QB 1 63 ARG HE . . 3.770 2.788 2.056 3.784 0.014 6 0 "[ . 1 . 2]" 1
214 1 63 ARG QB 1 64 TYR H . . 2.810 2.388 2.323 2.657 . 0 0 "[ . 1 . 2]" 1
215 1 63 ARG QB 1 64 TYR HA . . 4.170 3.863 3.826 3.916 . 0 0 "[ . 1 . 2]" 1
216 1 63 ARG QD 1 64 TYR H . . 5.500 4.507 4.189 4.964 . 0 0 "[ . 1 . 2]" 1
217 1 63 ARG HE 1 63 ARG HG2 . . 4.110 2.870 2.115 3.977 . 0 0 "[ . 1 . 2]" 1
218 1 63 ARG HE 1 63 ARG QG . . 3.580 2.566 2.083 3.326 . 0 0 "[ . 1 . 2]" 1
219 1 63 ARG HE 1 63 ARG HG3 . . 4.110 3.330 2.145 4.035 . 0 0 "[ . 1 . 2]" 1
220 1 63 ARG QG 1 64 TYR H . . 4.710 4.047 3.726 4.232 . 0 0 "[ . 1 . 2]" 1
221 1 64 TYR H 1 64 TYR HB2 . . 3.430 2.205 2.080 2.280 . 0 0 "[ . 1 . 2]" 1
222 1 64 TYR H 1 64 TYR QB . . 2.810 2.148 2.054 2.196 . 0 0 "[ . 1 . 2]" 1
223 1 64 TYR H 1 64 TYR HB3 . . 3.430 3.014 2.856 3.430 . 0 0 "[ . 1 . 2]" 1
224 1 64 TYR H 1 64 TYR QD . . 4.000 3.777 2.942 4.002 0.002 2 0 "[ . 1 . 2]" 1
225 1 64 TYR H 1 65 TYR H . . 3.190 2.513 2.457 2.775 . 0 0 "[ . 1 . 2]" 1
226 1 64 TYR H 1 65 TYR QB . . 5.340 4.259 4.208 4.480 . 0 0 "[ . 1 . 2]" 1
227 1 64 TYR H 1 120 MET ME . . 4.430 4.019 3.170 4.425 . 0 0 "[ . 1 . 2]" 1
228 1 64 TYR HA 1 64 TYR QD . . 4.400 2.357 2.183 2.593 . 0 0 "[ . 1 . 2]" 1
229 1 64 TYR HA 1 67 GLU H . . 4.020 3.599 3.276 3.849 . 0 0 "[ . 1 . 2]" 1
230 1 64 TYR HA 1 67 GLU QB . . 4.540 3.702 2.528 4.357 . 0 0 "[ . 1 . 2]" 1
231 1 64 TYR QB 1 120 MET ME . . 4.450 2.372 1.772 2.743 . 0 0 "[ . 1 . 2]" 1
232 1 64 TYR QD 1 120 MET ME . . 3.070 2.993 2.637 3.080 0.010 11 0 "[ . 1 . 2]" 1
233 1 65 TYR H 1 65 TYR HB2 . . 4.080 2.627 2.452 2.709 . 0 0 "[ . 1 . 2]" 1
234 1 65 TYR H 1 65 TYR HB3 . . 4.080 2.442 2.380 2.626 . 0 0 "[ . 1 . 2]" 1
235 1 65 TYR H 1 66 ARG H . . 3.750 2.631 2.524 2.732 . 0 0 "[ . 1 . 2]" 1
236 1 65 TYR H 1 67 GLU H . . 4.650 4.292 3.878 4.656 0.006 6 0 "[ . 1 . 2]" 1
237 1 65 TYR H 1 120 MET ME . . 3.600 3.162 2.309 3.591 . 0 0 "[ . 1 . 2]" 1
238 1 65 TYR HA 1 65 TYR QD . . 3.810 2.732 2.299 3.042 . 0 0 "[ . 1 . 2]" 1
239 1 65 TYR HA 1 120 MET ME . . 4.190 3.434 2.729 4.170 . 0 0 "[ . 1 . 2]" 1
240 1 65 TYR QB 1 66 ARG H . . 3.730 2.893 2.609 2.948 . 0 0 "[ . 1 . 2]" 1
241 1 65 TYR QB 1 120 MET ME . . 3.740 2.903 2.355 3.443 . 0 0 "[ . 1 . 2]" 1
242 1 65 TYR HB2 1 66 ARG H . . 4.340 4.114 3.968 4.172 . 0 0 "[ . 1 . 2]" 1
243 1 65 TYR HB2 1 120 MET ME . . 4.510 2.969 2.409 3.573 . 0 0 "[ . 1 . 2]" 1
244 1 65 TYR HB3 1 66 ARG H . . 4.340 2.956 2.646 3.015 . 0 0 "[ . 1 . 2]" 1
245 1 65 TYR HB3 1 120 MET ME . . 4.510 4.137 3.319 4.506 . 0 0 "[ . 1 . 2]" 1
246 1 65 TYR QD 1 66 ARG H . . 4.220 3.835 3.090 4.220 . 0 0 "[ . 1 . 2]" 1
247 1 65 TYR QD 1 69 MET ME . . 4.230 3.587 2.617 4.231 0.001 14 0 "[ . 1 . 2]" 1
248 1 65 TYR QD 1 120 MET ME . . 4.610 3.931 2.966 4.601 . 0 0 "[ . 1 . 2]" 1
249 1 65 TYR QE 1 69 MET QB . . 3.920 3.116 2.655 3.683 . 0 0 "[ . 1 . 2]" 1
250 1 65 TYR QE 1 69 MET ME . . 3.590 2.803 2.151 3.393 . 0 0 "[ . 1 . 2]" 1
251 1 65 TYR QE 1 124 VAL MG1 . . 4.670 4.464 3.085 4.677 0.007 16 0 "[ . 1 . 2]" 1
252 1 65 TYR QE 1 124 VAL QG . . 3.710 2.717 2.083 3.708 . 0 0 "[ . 1 . 2]" 1
253 1 65 TYR QE 1 124 VAL MG2 . . 4.670 2.831 2.089 4.670 0.000 4 0 "[ . 1 . 2]" 1
254 1 66 ARG H 1 66 ARG QB . . 3.600 2.167 2.044 2.261 . 0 0 "[ . 1 . 2]" 1
255 1 66 ARG H 1 66 ARG HE . . 5.300 4.933 4.390 5.294 . 0 0 "[ . 1 . 2]" 1
256 1 66 ARG H 1 66 ARG QG . . 4.250 3.894 3.336 4.056 . 0 0 "[ . 1 . 2]" 1
257 1 66 ARG QB 1 67 GLU H . . 3.140 2.778 2.500 2.928 . 0 0 "[ . 1 . 2]" 1
258 1 67 GLU H 1 67 GLU QB . . 2.680 2.485 2.351 2.601 . 0 0 "[ . 1 . 2]" 1
259 1 67 GLU H 1 67 GLU HG2 . . 3.320 2.875 2.625 3.271 . 0 0 "[ . 1 . 2]" 1
260 1 67 GLU H 1 67 GLU QG . . 2.770 2.527 2.343 2.754 . 0 0 "[ . 1 . 2]" 1
261 1 67 GLU H 1 67 GLU HG3 . . 3.320 2.890 2.418 3.223 . 0 0 "[ . 1 . 2]" 1
262 1 67 GLU H 1 68 ASN H . . 2.980 2.250 2.236 2.284 . 0 0 "[ . 1 . 2]" 1
263 1 67 GLU H 1 68 ASN QD . . 4.240 3.936 3.274 4.252 0.012 18 0 "[ . 1 . 2]" 1
264 1 67 GLU HA 1 67 GLU HG2 . . 3.850 2.505 2.306 2.593 . 0 0 "[ . 1 . 2]" 1
265 1 67 GLU HA 1 67 GLU QG . . 2.990 2.463 2.275 2.549 . 0 0 "[ . 1 . 2]" 1
266 1 67 GLU HA 1 67 GLU HG3 . . 3.850 3.636 3.365 3.764 . 0 0 "[ . 1 . 2]" 1
267 1 67 GLU HA 1 68 ASN H . . 3.560 3.437 3.380 3.465 . 0 0 "[ . 1 . 2]" 1
268 1 67 GLU QB 1 68 ASN H . . 3.330 2.976 2.883 3.140 . 0 0 "[ . 1 . 2]" 1
269 1 67 GLU QB 1 68 ASN QD . . 3.960 3.005 2.420 3.686 . 0 0 "[ . 1 . 2]" 1
270 1 68 ASN H 1 68 ASN QB . . 3.190 2.294 2.080 2.633 . 0 0 "[ . 1 . 2]" 1
271 1 68 ASN H 1 68 ASN QD . . 3.470 2.731 2.109 3.222 . 0 0 "[ . 1 . 2]" 1
272 1 68 ASN H 1 69 MET H . . 3.480 2.349 2.142 2.509 . 0 0 "[ . 1 . 2]" 1
273 1 68 ASN QB 1 69 MET H . . 4.150 2.856 2.660 3.116 . 0 0 "[ . 1 . 2]" 1
274 1 69 MET H 1 69 MET HB2 . . 4.020 3.578 3.557 3.601 . 0 0 "[ . 1 . 2]" 1
275 1 69 MET H 1 69 MET QB . . 3.160 2.441 2.291 2.596 . 0 0 "[ . 1 . 2]" 1
276 1 69 MET H 1 69 MET HB3 . . 4.020 2.486 2.319 2.662 . 0 0 "[ . 1 . 2]" 1
277 1 69 MET H 1 69 MET ME . . 4.320 4.187 3.349 4.361 0.041 9 0 "[ . 1 . 2]" 1
278 1 69 MET H 1 69 MET QG . . 3.400 2.333 2.071 2.513 . 0 0 "[ . 1 . 2]" 1
279 1 69 MET HA 1 72 TYR H . . 4.040 3.206 3.017 3.363 . 0 0 "[ . 1 . 2]" 1
280 1 69 MET HA 1 72 TYR QD . . 4.090 3.822 2.962 4.101 0.011 17 0 "[ . 1 . 2]" 1
281 1 69 MET QB 1 69 MET ME . . 3.930 2.008 1.892 2.559 . 0 0 "[ . 1 . 2]" 1
282 1 69 MET QB 1 70 HIS H . . 4.320 3.530 3.509 3.547 . 0 0 "[ . 1 . 2]" 1
283 1 69 MET ME 1 124 VAL QG . . 5.440 5.332 5.001 5.446 0.006 6 0 "[ . 1 . 2]" 1
284 1 69 MET QG 1 70 HIS H . . 3.270 2.122 2.009 2.341 . 0 0 "[ . 1 . 2]" 1
285 1 69 MET HG2 1 70 HIS H . . 3.850 3.011 2.144 3.643 . 0 0 "[ . 1 . 2]" 1
286 1 69 MET HG3 1 70 HIS H . . 3.850 2.440 2.018 3.074 . 0 0 "[ . 1 . 2]" 1
287 1 70 HIS H 1 70 HIS HD2 . . 4.020 3.248 2.323 3.961 . 0 0 "[ . 1 . 2]" 1
288 1 70 HIS H 1 71 ARG H . . 3.390 2.577 2.493 2.724 . 0 0 "[ . 1 . 2]" 1
289 1 70 HIS H 1 72 TYR H . . 4.240 3.928 3.791 4.063 . 0 0 "[ . 1 . 2]" 1
290 1 71 ARG H 1 71 ARG HE . . 5.500 4.804 3.404 5.538 0.038 10 0 "[ . 1 . 2]" 1
291 1 71 ARG H 1 72 TYR H . . 2.950 2.295 2.132 2.336 . 0 0 "[ . 1 . 2]" 1
292 1 71 ARG H 1 72 TYR QB . . 4.110 3.977 3.851 4.063 . 0 0 "[ . 1 . 2]" 1
293 1 72 TYR H 1 72 TYR QB . . 3.070 2.220 2.089 2.263 . 0 0 "[ . 1 . 2]" 1
294 1 72 TYR H 1 72 TYR QD . . 3.740 2.246 1.998 3.103 . 0 0 "[ . 1 . 2]" 1
295 1 72 TYR H 1 72 TYR QE . . 5.370 4.577 4.360 5.336 . 0 0 "[ . 1 . 2]" 1
296 1 72 TYR H 1 73 PRO QD . . 4.850 4.336 4.326 4.363 . 0 0 "[ . 1 . 2]" 1
297 1 72 TYR HA 1 72 TYR QD . . 3.760 3.352 2.313 3.681 . 0 0 "[ . 1 . 2]" 1
298 1 72 TYR HA 1 73 PRO HD2 . . 3.870 2.433 2.403 2.507 . 0 0 "[ . 1 . 2]" 1
299 1 72 TYR HA 1 73 PRO QD . . 3.350 2.109 2.091 2.154 . 0 0 "[ . 1 . 2]" 1
300 1 72 TYR HA 1 73 PRO HD3 . . 3.870 2.312 2.299 2.346 . 0 0 "[ . 1 . 2]" 1
301 1 72 TYR QB 1 124 VAL QG . . 4.220 2.510 1.946 3.537 . 0 0 "[ . 1 . 2]" 1
302 1 72 TYR QD 1 124 VAL MG1 . . 4.350 2.213 1.931 3.601 . 0 0 "[ . 1 . 2]" 1
303 1 72 TYR QD 1 124 VAL QG . . 3.750 2.052 1.859 2.258 . 0 0 "[ . 1 . 2]" 1
304 1 72 TYR QD 1 124 VAL MG2 . . 4.350 3.252 2.207 4.037 . 0 0 "[ . 1 . 2]" 1
305 1 73 PRO HA 1 74 ASN H . . 2.780 2.197 2.151 2.336 . 0 0 "[ . 1 . 2]" 1
306 1 73 PRO HA 1 75 GLN H . . 4.030 3.766 3.552 4.030 0.000 4 0 "[ . 1 . 2]" 1
307 1 73 PRO HA 1 128 MET ME . . 4.400 3.977 3.617 4.407 0.007 2 0 "[ . 1 . 2]" 1
308 1 73 PRO QB 1 74 ASN H . . 3.700 3.250 2.689 3.685 . 0 0 "[ . 1 . 2]" 1
309 1 73 PRO QB 1 75 GLN H . . 3.650 3.080 2.527 3.652 0.002 15 0 "[ . 1 . 2]" 1
310 1 73 PRO QB 1 128 MET ME . . 3.880 2.108 1.883 2.529 . 0 0 "[ . 1 . 2]" 1
311 1 73 PRO QD 1 124 VAL HB . . 5.350 2.994 2.282 5.358 0.008 4 0 "[ . 1 . 2]" 1
312 1 73 PRO QD 1 124 VAL QG . . 4.830 2.430 1.907 3.706 . 0 0 "[ . 1 . 2]" 1
313 1 74 ASN H 1 75 GLN H . . 2.900 2.431 1.899 2.906 0.006 13 0 "[ . 1 . 2]" 1
314 1 74 ASN H 1 128 MET ME . . 4.260 3.798 3.378 4.263 0.003 6 0 "[ . 1 . 2]" 1
315 1 74 ASN HA 1 74 ASN QD . . 4.170 3.520 1.935 4.129 . 0 0 "[ . 1 . 2]" 1
316 1 74 ASN HA 1 128 MET ME . . 3.420 3.232 2.674 3.418 . 0 0 "[ . 1 . 2]" 1
317 1 74 ASN QB 1 75 GLN H . . 4.090 3.698 2.863 4.056 . 0 0 "[ . 1 . 2]" 1
318 1 75 GLN H 1 75 GLN QB . . 3.650 2.825 2.330 3.388 . 0 0 "[ . 1 . 2]" 1
319 1 75 GLN H 1 76 VAL HA . . 5.270 4.671 4.469 5.023 . 0 0 "[ . 1 . 2]" 1
320 1 75 GLN H 1 76 VAL MG1 . . 5.480 3.980 3.512 4.961 . 0 0 "[ . 1 . 2]" 1
321 1 75 GLN H 1 128 MET ME . . 3.680 2.587 1.989 3.679 . 0 0 "[ . 1 . 2]" 1
322 1 75 GLN HA 1 76 VAL MG2 . . 3.720 3.613 3.431 3.728 0.008 14 0 "[ . 1 . 2]" 1
323 1 75 GLN QB 1 75 GLN QE . . 3.910 3.146 1.968 3.714 . 0 0 "[ . 1 . 2]" 1
324 1 75 GLN HB2 1 75 GLN HE22 . . 5.500 4.540 3.569 5.329 . 0 0 "[ . 1 . 2]" 1
325 1 75 GLN HB3 1 75 GLN HE22 . . 5.500 4.613 3.262 5.279 . 0 0 "[ . 1 . 2]" 1
326 1 76 VAL H 1 76 VAL MG1 . . 4.120 3.047 2.754 3.235 . 0 0 "[ . 1 . 2]" 1
327 1 76 VAL H 1 76 VAL MG2 . . 3.420 2.098 1.903 2.314 . 0 0 "[ . 1 . 2]" 1
328 1 76 VAL HA 1 76 VAL MG1 . . 3.560 2.222 2.123 2.382 . 0 0 "[ . 1 . 2]" 1
329 1 76 VAL HA 1 77 TYR H . . 3.490 2.235 2.140 2.469 . 0 0 "[ . 1 . 2]" 1
330 1 76 VAL HA 1 98 THR H . . 5.500 5.415 5.189 5.502 0.002 15 0 "[ . 1 . 2]" 1
331 1 76 VAL HA 1 98 THR MG . . 3.160 2.350 1.947 2.843 . 0 0 "[ . 1 . 2]" 1
332 1 76 VAL HA 1 128 MET ME . . 4.760 4.016 3.527 4.765 0.005 4 0 "[ . 1 . 2]" 1
333 1 76 VAL HB 1 77 TYR H . . 3.840 2.942 2.228 3.544 . 0 0 "[ . 1 . 2]" 1
334 1 76 VAL HB 1 98 THR MG . . 4.350 3.985 3.582 4.339 . 0 0 "[ . 1 . 2]" 1
335 1 76 VAL MG1 1 98 THR MG . . 3.170 2.663 1.990 3.133 . 0 0 "[ . 1 . 2]" 1
336 1 76 VAL MG1 1 125 VAL HA . . 3.610 3.285 2.663 3.612 0.002 14 0 "[ . 1 . 2]" 1
337 1 76 VAL MG1 1 125 VAL MG1 . . 3.110 2.435 1.921 2.814 . 0 0 "[ . 1 . 2]" 1
338 1 76 VAL MG1 1 128 MET H . . 4.980 4.389 3.938 4.660 . 0 0 "[ . 1 . 2]" 1
339 1 76 VAL MG1 1 128 MET HA . . 4.400 4.318 4.154 4.412 0.012 14 0 "[ . 1 . 2]" 1
340 1 76 VAL MG1 1 128 MET ME . . 2.530 2.150 1.830 2.523 . 0 0 "[ . 1 . 2]" 1
341 1 76 VAL MG1 1 129 CYS H . . 5.460 3.499 2.627 4.116 . 0 0 "[ . 1 . 2]" 1
342 1 76 VAL MG2 1 98 THR MG . . 5.080 4.524 4.194 4.846 . 0 0 "[ . 1 . 2]" 1
343 1 76 VAL MG2 1 128 MET ME . . 4.320 3.963 3.688 4.273 . 0 0 "[ . 1 . 2]" 1
344 1 77 TYR H 1 77 TYR QD . . 4.730 3.259 2.293 4.210 . 0 0 "[ . 1 . 2]" 1
345 1 77 TYR H 1 98 THR MG . . 3.920 3.123 1.944 3.901 . 0 0 "[ . 1 . 2]" 1
346 1 77 TYR HA 1 77 TYR QD . . 3.780 2.655 2.199 3.109 . 0 0 "[ . 1 . 2]" 1
347 1 77 TYR HA 1 78 TYR H . . 3.030 2.234 2.154 2.502 . 0 0 "[ . 1 . 2]" 1
348 1 77 TYR QB 1 98 THR MG . . 4.850 4.069 2.372 4.853 0.003 4 0 "[ . 1 . 2]" 1
349 1 77 TYR QD 1 98 THR MG . . 4.080 3.540 2.827 4.081 0.001 13 0 "[ . 1 . 2]" 1
350 1 86 ASN QB 1 87 GLN H . . 2.970 2.712 2.375 2.967 . 0 0 "[ . 1 . 2]" 1
351 1 86 ASN QB 1 88 ASN H . . 4.560 2.904 2.273 4.559 . 0 0 "[ . 1 . 2]" 1
352 1 86 ASN QD 1 87 GLN H . . 5.340 4.466 2.616 5.292 . 0 0 "[ . 1 . 2]" 1
353 1 87 GLN H 1 87 GLN QE . . 5.340 3.946 2.028 4.989 . 0 0 "[ . 1 . 2]" 1
354 1 87 GLN H 1 88 ASN H . . 3.880 2.675 2.505 2.824 . 0 0 "[ . 1 . 2]" 1
355 1 87 GLN QE 1 88 ASN H . . 5.340 4.567 3.525 5.329 . 0 0 "[ . 1 . 2]" 1
356 1 88 ASN H 1 88 ASN HB2 . . 3.620 2.392 2.072 3.592 . 0 0 "[ . 1 . 2]" 1
357 1 88 ASN H 1 88 ASN QB . . 3.030 2.273 2.047 2.642 . 0 0 "[ . 1 . 2]" 1
358 1 88 ASN H 1 88 ASN HB3 . . 3.620 3.304 2.347 3.591 . 0 0 "[ . 1 . 2]" 1
359 1 88 ASN H 1 88 ASN QD . . 4.290 3.254 2.106 4.290 . 0 0 "[ . 1 . 2]" 1
360 1 88 ASN QB 1 89 ASN H . . 3.500 2.608 2.315 3.456 . 0 0 "[ . 1 . 2]" 1
361 1 89 ASN H 1 89 ASN QB . . 3.200 2.146 2.050 2.273 . 0 0 "[ . 1 . 2]" 1
362 1 89 ASN H 1 90 PHE H . . 3.530 2.567 2.452 2.693 . 0 0 "[ . 1 . 2]" 1
363 1 90 PHE H 1 91 VAL H . . 3.680 2.706 2.594 2.869 . 0 0 "[ . 1 . 2]" 1
364 1 90 PHE H 1 91 VAL QG . . 4.750 3.984 3.738 4.254 . 0 0 "[ . 1 . 2]" 1
365 1 91 VAL H 1 91 VAL HB . . 3.070 2.606 2.522 2.671 . 0 0 "[ . 1 . 2]" 1
366 1 91 VAL H 1 91 VAL QG . . 2.940 2.126 1.923 2.229 . 0 0 "[ . 1 . 2]" 1
367 1 91 VAL H 1 92 HIS H . . 3.540 2.720 2.580 2.867 . 0 0 "[ . 1 . 2]" 1
368 1 91 VAL HA 1 91 VAL QG . . 3.060 2.083 2.039 2.131 . 0 0 "[ . 1 . 2]" 1
369 1 91 VAL HB 1 92 HIS H . . 3.550 2.491 2.332 2.761 . 0 0 "[ . 1 . 2]" 1
370 1 91 VAL QG 1 92 HIS H . . 3.660 3.187 3.047 3.339 . 0 0 "[ . 1 . 2]" 1
371 1 91 VAL QG 1 93 ASN H . . 5.500 4.624 4.484 4.807 . 0 0 "[ . 1 . 2]" 1
372 1 91 VAL QG 1 130 ILE H . . 5.450 4.525 3.915 5.432 . 0 0 "[ . 1 . 2]" 1
373 1 91 VAL QG 1 130 ILE MD . . 3.480 2.840 1.919 3.480 . 0 0 "[ . 1 . 2]" 1
374 1 91 VAL QG 1 130 ILE QG . . 4.210 3.588 2.564 4.210 . 0 0 "[ . 1 . 2]" 1
375 1 92 HIS H 1 92 HIS HB2 . . 3.630 2.439 2.370 2.530 . 0 0 "[ . 1 . 2]" 1
376 1 92 HIS H 1 92 HIS HB3 . . 3.630 3.586 3.576 3.598 . 0 0 "[ . 1 . 2]" 1
377 1 92 HIS H 1 93 ASN H . . 3.590 2.695 2.561 2.865 . 0 0 "[ . 1 . 2]" 1
378 1 92 HIS HA 1 95 VAL H . . 4.330 3.600 3.383 3.818 . 0 0 "[ . 1 . 2]" 1
379 1 92 HIS HA 1 95 VAL MG1 . . 5.500 4.513 4.089 4.955 . 0 0 "[ . 1 . 2]" 1
380 1 92 HIS QB 1 93 ASN H . . 3.220 2.567 2.418 2.751 . 0 0 "[ . 1 . 2]" 1
381 1 92 HIS HB2 1 93 ASN H . . 3.740 2.631 2.463 2.833 . 0 0 "[ . 1 . 2]" 1
382 1 92 HIS HB2 1 93 ASN HA . . 4.450 4.357 4.258 4.446 . 0 0 "[ . 1 . 2]" 1
383 1 92 HIS HB3 1 93 ASN H . . 3.740 3.582 3.348 3.729 . 0 0 "[ . 1 . 2]" 1
384 1 92 HIS HB3 1 93 ASN HA . . 4.450 4.345 4.181 4.423 . 0 0 "[ . 1 . 2]" 1
385 1 93 ASN H 1 93 ASN QB . . 3.040 2.136 2.048 2.457 . 0 0 "[ . 1 . 2]" 1
386 1 93 ASN H 1 94 CYS H . . 3.520 2.683 2.526 2.758 . 0 0 "[ . 1 . 2]" 1
387 1 93 ASN H 1 95 VAL H . . 4.370 4.072 3.930 4.199 . 0 0 "[ . 1 . 2]" 1
388 1 93 ASN H 1 95 VAL MG2 . . 5.500 4.634 4.332 4.875 . 0 0 "[ . 1 . 2]" 1
389 1 93 ASN HA 1 96 ASN H . . 3.790 3.289 3.155 3.459 . 0 0 "[ . 1 . 2]" 1
390 1 93 ASN HA 1 96 ASN HB2 . . 3.860 3.011 2.627 3.493 . 0 0 "[ . 1 . 2]" 1
391 1 93 ASN HA 1 96 ASN QB . . 3.250 2.885 2.564 3.246 . 0 0 "[ . 1 . 2]" 1
392 1 93 ASN HA 1 96 ASN HB3 . . 3.860 3.740 3.576 3.857 . 0 0 "[ . 1 . 2]" 1
393 1 93 ASN HA 1 97 ILE H . . 4.860 4.621 4.325 4.813 . 0 0 "[ . 1 . 2]" 1
394 1 93 ASN QB 1 94 CYS H . . 3.340 2.639 2.448 2.771 . 0 0 "[ . 1 . 2]" 1
395 1 93 ASN QB 1 95 VAL H . . 4.560 4.500 4.389 4.561 0.001 14 0 "[ . 1 . 2]" 1
396 1 94 CYS H 1 95 VAL H . . 3.550 2.712 2.617 2.776 . 0 0 "[ . 1 . 2]" 1
397 1 94 CYS H 1 95 VAL MG2 . . 5.020 4.030 3.843 4.149 . 0 0 "[ . 1 . 2]" 1
398 1 94 CYS H 1 96 ASN H . . 4.580 4.287 4.166 4.510 . 0 0 "[ . 1 . 2]" 1
399 1 95 VAL H 1 95 VAL HB . . 2.950 2.568 2.514 2.631 . 0 0 "[ . 1 . 2]" 1
400 1 95 VAL H 1 95 VAL MG1 . . 3.880 3.770 3.764 3.775 . 0 0 "[ . 1 . 2]" 1
401 1 95 VAL H 1 95 VAL MG2 . . 3.140 2.202 2.048 2.327 . 0 0 "[ . 1 . 2]" 1
402 1 95 VAL H 1 96 ASN H . . 3.310 2.551 2.472 2.675 . 0 0 "[ . 1 . 2]" 1
403 1 95 VAL HA 1 95 VAL MG2 . . 3.180 2.366 2.307 2.426 . 0 0 "[ . 1 . 2]" 1
404 1 95 VAL HA 1 98 THR H . . 4.540 3.643 3.509 3.797 . 0 0 "[ . 1 . 2]" 1
405 1 95 VAL HA 1 125 VAL MG1 . . 2.910 2.107 1.889 2.563 . 0 0 "[ . 1 . 2]" 1
406 1 95 VAL HB 1 96 ASN H . . 2.890 2.713 2.505 2.851 . 0 0 "[ . 1 . 2]" 1
407 1 95 VAL MG1 1 96 ASN H . . 3.760 3.652 3.423 3.755 . 0 0 "[ . 1 . 2]" 1
408 1 95 VAL MG1 1 96 ASN HA . . 5.500 3.738 3.571 3.839 . 0 0 "[ . 1 . 2]" 1
409 1 95 VAL MG1 1 126 GLU H . . 3.920 3.158 2.801 3.419 . 0 0 "[ . 1 . 2]" 1
410 1 95 VAL MG1 1 127 GLN H . . 5.500 5.343 4.884 5.507 0.007 14 0 "[ . 1 . 2]" 1
411 1 95 VAL MG2 1 96 ASN H . . 3.870 3.811 3.733 3.867 . 0 0 "[ . 1 . 2]" 1
412 1 95 VAL MG2 1 126 GLU H . . 5.200 3.719 3.007 4.233 . 0 0 "[ . 1 . 2]" 1
413 1 95 VAL MG2 1 126 GLU HA . . 3.450 2.284 1.933 2.598 . 0 0 "[ . 1 . 2]" 1
414 1 95 VAL MG2 1 127 GLN H . . 5.490 5.150 4.709 5.497 0.007 14 0 "[ . 1 . 2]" 1
415 1 96 ASN H 1 96 ASN HB2 . . 3.130 2.195 2.102 2.319 . 0 0 "[ . 1 . 2]" 1
416 1 96 ASN H 1 96 ASN QB . . 2.640 2.137 2.072 2.212 . 0 0 "[ . 1 . 2]" 1
417 1 96 ASN H 1 96 ASN HB3 . . 3.130 2.964 2.794 3.127 . 0 0 "[ . 1 . 2]" 1
418 1 96 ASN H 1 96 ASN QD . . 4.360 4.041 3.614 4.357 . 0 0 "[ . 1 . 2]" 1
419 1 96 ASN H 1 97 ILE H . . 3.250 2.571 2.468 2.689 . 0 0 "[ . 1 . 2]" 1
420 1 96 ASN H 1 97 ILE HB . . 5.090 4.883 4.751 5.017 . 0 0 "[ . 1 . 2]" 1
421 1 96 ASN H 1 97 ILE QG . . 4.340 3.877 3.689 4.021 . 0 0 "[ . 1 . 2]" 1
422 1 96 ASN HA 1 96 ASN HD22 . . 5.470 4.003 3.325 4.313 . 0 0 "[ . 1 . 2]" 1
423 1 96 ASN HB2 1 97 ILE H . . 3.670 3.608 3.430 3.670 . 0 0 "[ . 1 . 2]" 1
424 1 96 ASN HB3 1 97 ILE H . . 3.670 2.881 2.570 3.148 . 0 0 "[ . 1 . 2]" 1
425 1 97 ILE H 1 97 ILE HB . . 2.990 2.590 2.538 2.643 . 0 0 "[ . 1 . 2]" 1
426 1 97 ILE H 1 97 ILE MD . . 3.900 3.207 2.950 3.571 . 0 0 "[ . 1 . 2]" 1
427 1 97 ILE H 1 97 ILE HG12 . . 3.760 2.486 1.950 3.509 . 0 0 "[ . 1 . 2]" 1
428 1 97 ILE H 1 97 ILE QG . . 3.210 1.999 1.941 2.076 . 0 0 "[ . 1 . 2]" 1
429 1 97 ILE H 1 97 ILE HG13 . . 3.760 3.005 1.969 3.581 . 0 0 "[ . 1 . 2]" 1
430 1 97 ILE H 1 97 ILE MG . . 3.770 3.764 3.763 3.765 . 0 0 "[ . 1 . 2]" 1
431 1 97 ILE H 1 98 THR H . . 3.520 2.729 2.616 2.863 . 0 0 "[ . 1 . 2]" 1
432 1 97 ILE HA 1 97 ILE MD . . 3.910 2.671 1.967 3.882 . 0 0 "[ . 1 . 2]" 1
433 1 97 ILE HB 1 98 THR H . . 3.260 2.531 2.286 2.829 . 0 0 "[ . 1 . 2]" 1
434 1 97 ILE MD 1 97 ILE MG . . 3.560 2.086 1.961 2.258 . 0 0 "[ . 1 . 2]" 1
435 1 97 ILE MD 1 98 THR H . . 5.100 4.536 4.316 4.673 . 0 0 "[ . 1 . 2]" 1
436 1 97 ILE QG 1 98 THR H . . 5.340 3.914 3.785 4.046 . 0 0 "[ . 1 . 2]" 1
437 1 97 ILE MG 1 98 THR H . . 3.990 3.470 3.219 3.685 . 0 0 "[ . 1 . 2]" 1
438 1 97 ILE MG 1 98 THR HA . . 4.720 3.583 3.372 3.787 . 0 0 "[ . 1 . 2]" 1
439 1 97 ILE MG 1 101 GLN H . . 4.650 3.951 3.496 4.645 . 0 0 "[ . 1 . 2]" 1
440 1 97 ILE MG 1 101 GLN QE . . 4.150 3.552 2.033 4.145 . 0 0 "[ . 1 . 2]" 1
441 1 98 THR H 1 98 THR HB . . 3.190 2.758 2.533 2.987 . 0 0 "[ . 1 . 2]" 1
442 1 98 THR H 1 98 THR MG . . 3.810 3.726 3.636 3.768 . 0 0 "[ . 1 . 2]" 1
443 1 98 THR H 1 99 ILE H . . 3.330 2.821 2.721 2.918 . 0 0 "[ . 1 . 2]" 1
444 1 98 THR H 1 99 ILE HB . . 5.250 5.071 4.931 5.206 . 0 0 "[ . 1 . 2]" 1
445 1 98 THR H 1 99 ILE MD . . 5.500 5.001 3.856 5.340 . 0 0 "[ . 1 . 2]" 1
446 1 98 THR H 1 125 VAL MG1 . . 4.610 3.716 3.350 3.997 . 0 0 "[ . 1 . 2]" 1
447 1 98 THR HA 1 98 THR MG . . 3.270 2.220 2.038 2.399 . 0 0 "[ . 1 . 2]" 1
448 1 98 THR HA 1 101 GLN H . . 5.150 4.038 3.763 4.279 . 0 0 "[ . 1 . 2]" 1
449 1 98 THR HB 1 99 ILE H . . 4.060 2.388 2.247 2.610 . 0 0 "[ . 1 . 2]" 1
450 1 98 THR HB 1 125 VAL MG1 . . 3.590 2.164 1.961 2.531 . 0 0 "[ . 1 . 2]" 1
451 1 98 THR MG 1 99 ILE H . . 4.180 3.547 3.165 3.816 . 0 0 "[ . 1 . 2]" 1
452 1 98 THR MG 1 99 ILE HA . . 4.150 3.787 3.295 4.149 . 0 0 "[ . 1 . 2]" 1
453 1 98 THR MG 1 99 ILE MD . . 5.250 3.321 2.762 3.778 . 0 0 "[ . 1 . 2]" 1
454 1 98 THR MG 1 102 HIS H . . 4.950 4.572 4.293 4.818 . 0 0 "[ . 1 . 2]" 1
455 1 98 THR MG 1 125 VAL MG1 . . 2.900 2.528 2.179 2.899 . 0 0 "[ . 1 . 2]" 1
456 1 98 THR MG 1 125 VAL MG2 . . 3.180 2.614 2.047 3.176 . 0 0 "[ . 1 . 2]" 1
457 1 99 ILE H 1 99 ILE HB . . 2.950 2.597 2.527 2.650 . 0 0 "[ . 1 . 2]" 1
458 1 99 ILE H 1 99 ILE MD . . 3.980 2.971 2.218 3.202 . 0 0 "[ . 1 . 2]" 1
459 1 99 ILE H 1 99 ILE HG12 . . 3.870 2.196 1.951 3.868 . 0 0 "[ . 1 . 2]" 1
460 1 99 ILE H 1 99 ILE QG . . 3.240 2.067 1.942 2.679 . 0 0 "[ . 1 . 2]" 1
461 1 99 ILE H 1 99 ILE HG13 . . 3.870 3.459 2.714 3.596 . 0 0 "[ . 1 . 2]" 1
462 1 99 ILE H 1 99 ILE MG . . 3.960 3.766 3.762 3.773 . 0 0 "[ . 1 . 2]" 1
463 1 99 ILE H 1 125 VAL MG1 . . 4.200 3.682 3.268 4.184 . 0 0 "[ . 1 . 2]" 1
464 1 99 ILE H 1 125 VAL MG2 . . 4.670 4.077 3.719 4.458 . 0 0 "[ . 1 . 2]" 1
465 1 99 ILE HA 1 99 ILE MD . . 3.600 2.228 1.965 3.595 . 0 0 "[ . 1 . 2]" 1
466 1 99 ILE HA 1 99 ILE MG . . 3.550 2.285 2.201 2.343 . 0 0 "[ . 1 . 2]" 1
467 1 99 ILE HA 1 102 HIS H . . 3.740 3.374 3.158 3.503 . 0 0 "[ . 1 . 2]" 1
468 1 99 ILE HA 1 103 THR H . . 5.040 4.565 3.655 5.037 . 0 0 "[ . 1 . 2]" 1
469 1 99 ILE HA 1 121 MET ME . . 4.570 4.308 3.607 4.566 . 0 0 "[ . 1 . 2]" 1
470 1 99 ILE HB 1 99 ILE MD . . 3.600 3.105 2.026 3.231 . 0 0 "[ . 1 . 2]" 1
471 1 99 ILE HB 1 102 HIS H . . 5.350 5.321 5.250 5.351 0.001 3 0 "[ . 1 . 2]" 1
472 1 99 ILE MD 1 121 MET ME . . 3.390 2.807 1.941 3.371 . 0 0 "[ . 1 . 2]" 1
473 1 99 ILE MD 1 122 GLU H . . 3.940 3.598 3.067 3.940 0.000 3 0 "[ . 1 . 2]" 1
474 1 99 ILE MD 1 122 GLU HA . . 3.220 2.693 2.049 3.142 . 0 0 "[ . 1 . 2]" 1
475 1 99 ILE MD 1 122 GLU HG2 . . 3.920 2.417 1.954 3.012 . 0 0 "[ . 1 . 2]" 1
476 1 99 ILE MD 1 125 VAL HB . . 3.970 3.653 3.194 3.974 0.004 14 0 "[ . 1 . 2]" 1
477 1 99 ILE MD 1 125 VAL MG1 . . 3.690 3.269 2.635 3.673 . 0 0 "[ . 1 . 2]" 1
478 1 99 ILE MD 1 125 VAL MG2 . . 3.140 2.100 1.887 2.341 . 0 0 "[ . 1 . 2]" 1
479 1 99 ILE MG 1 121 MET ME . . 4.080 3.114 2.120 3.741 . 0 0 "[ . 1 . 2]" 1
480 1 100 LYS H 1 100 LYS HB2 . . 3.980 2.307 2.192 2.431 . 0 0 "[ . 1 . 2]" 1
481 1 100 LYS H 1 100 LYS HB3 . . 4.130 2.764 2.616 2.912 . 0 0 "[ . 1 . 2]" 1
482 1 100 LYS H 1 101 GLN H . . 3.460 3.012 2.903 3.064 . 0 0 "[ . 1 . 2]" 1
483 1 100 LYS HA 1 102 HIS H . . 4.320 4.156 4.069 4.323 0.003 19 0 "[ . 1 . 2]" 1
484 1 100 LYS HA 1 103 THR H . . 4.120 3.922 3.559 4.123 0.003 19 0 "[ . 1 . 2]" 1
485 1 100 LYS HB2 1 101 GLN H . . 3.580 3.474 3.320 3.581 0.001 19 0 "[ . 1 . 2]" 1
486 1 100 LYS HB3 1 101 GLN H . . 4.410 2.084 2.018 2.279 . 0 0 "[ . 1 . 2]" 1
487 1 100 LYS HB3 1 102 HIS H . . 4.450 4.413 4.377 4.452 0.002 19 0 "[ . 1 . 2]" 1
488 1 100 LYS QD 1 101 GLN H . . 3.510 3.060 2.563 3.407 . 0 0 "[ . 1 . 2]" 1
489 1 100 LYS QD 1 101 GLN QE . . 3.800 2.737 1.943 3.563 . 0 0 "[ . 1 . 2]" 1
490 1 101 GLN H 1 101 GLN QE . . 4.530 3.811 2.360 4.519 . 0 0 "[ . 1 . 2]" 1
491 1 102 HIS H 1 102 HIS QB . . 2.800 2.111 2.046 2.210 . 0 0 "[ . 1 . 2]" 1
492 1 102 HIS HA 1 104 VAL H . . 4.030 3.814 3.648 4.031 0.001 18 0 "[ . 1 . 2]" 1
493 1 102 HIS QB 1 103 THR H . . 3.650 2.741 2.247 2.961 . 0 0 "[ . 1 . 2]" 1
494 1 103 THR H 1 103 THR HB . . 3.820 2.805 2.444 3.616 . 0 0 "[ . 1 . 2]" 1
495 1 103 THR H 1 103 THR MG . . 3.340 2.474 2.073 3.336 . 0 0 "[ . 1 . 2]" 1
496 1 103 THR H 1 104 VAL H . . 3.610 2.712 2.623 2.731 . 0 0 "[ . 1 . 2]" 1
497 1 103 THR HA 1 103 THR MG . . 3.380 2.848 2.008 3.205 . 0 0 "[ . 1 . 2]" 1
498 1 104 VAL H 1 104 VAL HB . . 3.300 2.567 2.506 2.664 . 0 0 "[ . 1 . 2]" 1
499 1 104 VAL H 1 104 VAL QG . . 3.530 2.106 1.925 2.267 . 0 0 "[ . 1 . 2]" 1
500 1 104 VAL HA 1 104 VAL MG1 . . 3.310 2.315 2.227 2.389 . 0 0 "[ . 1 . 2]" 1
501 1 104 VAL HA 1 104 VAL QG . . 2.680 2.087 2.046 2.143 . 0 0 "[ . 1 . 2]" 1
502 1 104 VAL HA 1 104 VAL MG2 . . 3.310 2.374 2.287 2.445 . 0 0 "[ . 1 . 2]" 1
503 1 104 VAL HB 1 105 THR H . . 3.300 2.447 2.205 2.976 . 0 0 "[ . 1 . 2]" 1
504 1 104 VAL QG 1 105 THR H . . 3.480 3.138 2.969 3.418 . 0 0 "[ . 1 . 2]" 1
505 1 104 VAL MG1 1 105 THR H . . 3.990 3.383 3.139 3.748 . 0 0 "[ . 1 . 2]" 1
506 1 104 VAL MG2 1 105 THR H . . 3.990 3.726 3.575 3.942 . 0 0 "[ . 1 . 2]" 1
507 1 105 THR H 1 105 THR MG . . 3.820 3.768 3.765 3.776 . 0 0 "[ . 1 . 2]" 1
508 1 105 THR HA 1 105 THR MG . . 2.850 2.326 2.300 2.409 . 0 0 "[ . 1 . 2]" 1
509 1 105 THR HA 1 108 THR H . . 3.840 3.469 3.206 3.787 . 0 0 "[ . 1 . 2]" 1
510 1 105 THR MG 1 106 THR H . . 3.860 3.771 3.711 3.812 . 0 0 "[ . 1 . 2]" 1
511 1 105 THR MG 1 107 THR H . . 4.530 4.524 4.511 4.530 . 0 0 "[ . 1 . 2]" 1
512 1 105 THR MG 1 108 THR H . . 3.670 3.632 3.547 3.670 0.000 2 0 "[ . 1 . 2]" 1
513 1 106 THR H 1 106 THR MG . . 3.950 3.667 2.100 3.767 . 0 0 "[ . 1 . 2]" 1
514 1 106 THR HA 1 106 THR MG . . 2.560 2.309 2.186 2.404 . 0 0 "[ . 1 . 2]" 1
515 1 106 THR HA 1 107 THR H . . 3.470 3.464 3.460 3.470 . 0 0 "[ . 1 . 2]" 1
516 1 106 THR HA 1 108 THR H . . 4.270 3.911 3.641 4.223 . 0 0 "[ . 1 . 2]" 1
517 1 106 THR HB 1 107 THR H . . 4.260 3.033 2.969 3.919 . 0 0 "[ . 1 . 2]" 1
518 1 106 THR MG 1 107 THR H . . 4.060 3.873 3.715 4.043 . 0 0 "[ . 1 . 2]" 1
519 1 106 THR MG 1 111 GLU H . . 4.270 3.025 2.625 3.993 . 0 0 "[ . 1 . 2]" 1
520 1 106 THR MG 1 111 GLU QB . . 3.930 3.534 2.748 3.920 . 0 0 "[ . 1 . 2]" 1
521 1 106 THR MG 1 112 ASN H . . 4.600 4.471 4.308 4.587 . 0 0 "[ . 1 . 2]" 1
522 1 106 THR MG 1 113 PHE H . . 4.550 4.025 3.437 4.533 . 0 0 "[ . 1 . 2]" 1
523 1 107 THR H 1 108 THR H . . 3.130 2.601 2.466 2.758 . 0 0 "[ . 1 . 2]" 1
524 1 109 LYS H 1 110 GLY H . . 2.980 2.226 1.995 2.509 . 0 0 "[ . 1 . 2]" 1
525 1 109 LYS HA 1 110 GLY H . . 3.500 3.378 3.377 3.379 . 0 0 "[ . 1 . 2]" 1
526 1 109 LYS QB 1 110 GLY H . . 3.630 3.173 3.153 3.205 . 0 0 "[ . 1 . 2]" 1
527 1 109 LYS QB 1 111 GLU H . . 4.210 2.921 2.564 3.539 . 0 0 "[ . 1 . 2]" 1
528 1 109 LYS HB2 1 110 GLY H . . 4.200 3.624 3.269 4.131 . 0 0 "[ . 1 . 2]" 1
529 1 109 LYS HB3 1 110 GLY H . . 4.200 3.663 3.272 4.165 . 0 0 "[ . 1 . 2]" 1
530 1 109 LYS QD 1 110 GLY H . . 5.500 5.104 4.400 5.480 . 0 0 "[ . 1 . 2]" 1
531 1 109 LYS QG 1 110 GLY H . . 4.810 4.512 4.204 4.783 . 0 0 "[ . 1 . 2]" 1
532 1 110 GLY H 1 110 GLY HA2 . . 2.930 2.295 2.294 2.297 . 0 0 "[ . 1 . 2]" 1
533 1 110 GLY H 1 110 GLY QA . . 2.550 2.196 2.192 2.201 . 0 0 "[ . 1 . 2]" 1
534 1 110 GLY H 1 110 GLY HA3 . . 2.930 2.799 2.772 2.822 . 0 0 "[ . 1 . 2]" 1
535 1 110 GLY H 1 111 GLU H . . 2.960 2.739 2.659 2.862 . 0 0 "[ . 1 . 2]" 1
536 1 110 GLY H 1 111 GLU QB . . 5.500 4.528 4.377 4.697 . 0 0 "[ . 1 . 2]" 1
537 1 110 GLY QA 1 111 GLU H . . 3.060 2.765 2.583 2.869 . 0 0 "[ . 1 . 2]" 1
538 1 111 GLU H 1 111 GLU QB . . 2.670 2.445 2.249 2.629 . 0 0 "[ . 1 . 2]" 1
539 1 111 GLU H 1 111 GLU HG2 . . 4.640 4.238 3.841 4.622 . 0 0 "[ . 1 . 2]" 1
540 1 111 GLU H 1 111 GLU QG . . 4.000 3.621 3.208 3.960 . 0 0 "[ . 1 . 2]" 1
541 1 111 GLU H 1 111 GLU HG3 . . 4.640 3.996 3.316 4.633 . 0 0 "[ . 1 . 2]" 1
542 1 111 GLU HA 1 111 GLU HG2 . . 3.680 2.213 2.032 2.560 . 0 0 "[ . 1 . 2]" 1
543 1 111 GLU HA 1 111 GLU HG3 . . 3.680 3.103 2.599 3.565 . 0 0 "[ . 1 . 2]" 1
544 1 111 GLU HA 1 112 ASN H . . 2.590 2.523 2.368 2.582 . 0 0 "[ . 1 . 2]" 1
545 1 111 GLU QB 1 112 ASN H . . 2.860 2.304 2.084 2.658 . 0 0 "[ . 1 . 2]" 1
546 1 111 GLU QG 1 112 ASN H . . 3.620 3.188 2.463 3.615 . 0 0 "[ . 1 . 2]" 1
547 1 112 ASN H 1 112 ASN HB2 . . 3.790 2.837 2.309 3.789 . 0 0 "[ . 1 . 2]" 1
548 1 112 ASN H 1 112 ASN QB . . 3.010 2.642 2.271 3.009 . 0 0 "[ . 1 . 2]" 1
549 1 112 ASN H 1 112 ASN HB3 . . 3.790 3.603 3.057 3.789 . 0 0 "[ . 1 . 2]" 1
550 1 112 ASN H 1 112 ASN HD21 . . 5.120 3.755 2.301 4.690 . 0 0 "[ . 1 . 2]" 1
551 1 112 ASN H 1 112 ASN QD . . 4.330 3.514 2.276 4.267 . 0 0 "[ . 1 . 2]" 1
552 1 112 ASN H 1 112 ASN HD22 . . 5.120 4.372 3.277 5.057 . 0 0 "[ . 1 . 2]" 1
553 1 112 ASN HA 1 113 PHE H . . 2.600 2.416 2.258 2.552 . 0 0 "[ . 1 . 2]" 1
554 1 112 ASN HB2 1 113 PHE H . . 3.860 3.339 2.198 3.841 . 0 0 "[ . 1 . 2]" 1
555 1 112 ASN HB3 1 113 PHE H . . 3.860 2.708 2.195 3.788 . 0 0 "[ . 1 . 2]" 1
556 1 113 PHE H 1 113 PHE HB2 . . 3.750 3.365 2.310 3.720 . 0 0 "[ . 1 . 2]" 1
557 1 113 PHE H 1 113 PHE QB . . 3.030 2.841 2.283 3.030 0.000 1 0 "[ . 1 . 2]" 1
558 1 113 PHE H 1 113 PHE HB3 . . 3.750 3.285 3.147 3.660 . 0 0 "[ . 1 . 2]" 1
559 1 113 PHE H 1 114 THR H . . 4.690 4.445 4.329 4.568 . 0 0 "[ . 1 . 2]" 1
560 1 113 PHE H 1 114 THR MG . . 5.440 4.953 4.772 5.408 . 0 0 "[ . 1 . 2]" 1
561 1 113 PHE HA 1 114 THR H . . 2.790 2.191 2.140 2.307 . 0 0 "[ . 1 . 2]" 1
562 1 113 PHE HA 1 114 THR MG . . 3.890 3.806 3.666 3.877 . 0 0 "[ . 1 . 2]" 1
563 1 113 PHE HA 1 121 MET ME . . 5.500 5.192 4.762 5.489 . 0 0 "[ . 1 . 2]" 1
564 1 113 PHE QB 1 114 THR H . . 3.570 3.009 2.731 3.281 . 0 0 "[ . 1 . 2]" 1
565 1 113 PHE QB 1 118 VAL MG1 . . 3.990 3.940 3.798 3.990 0.000 15 0 "[ . 1 . 2]" 1
566 1 113 PHE QB 1 121 MET ME . . 3.720 3.329 2.874 3.667 . 0 0 "[ . 1 . 2]" 1
567 1 113 PHE HB2 1 114 THR H . . 4.270 3.405 2.904 4.165 . 0 0 "[ . 1 . 2]" 1
568 1 113 PHE HB3 1 114 THR H . . 4.270 3.756 2.775 4.183 . 0 0 "[ . 1 . 2]" 1
569 1 114 THR H 1 114 THR MG . . 3.030 2.682 2.501 2.904 . 0 0 "[ . 1 . 2]" 1
570 1 114 THR H 1 117 ASP H . . 3.940 3.623 3.433 3.787 . 0 0 "[ . 1 . 2]" 1
571 1 114 THR H 1 117 ASP HB2 . . 3.950 2.831 2.070 3.585 . 0 0 "[ . 1 . 2]" 1
572 1 114 THR H 1 117 ASP QB . . 3.150 2.260 2.052 2.482 . 0 0 "[ . 1 . 2]" 1
573 1 114 THR H 1 117 ASP HB3 . . 3.950 2.909 2.208 3.711 . 0 0 "[ . 1 . 2]" 1
574 1 114 THR H 1 118 VAL H . . 4.550 3.700 3.453 3.961 . 0 0 "[ . 1 . 2]" 1
575 1 114 THR HA 1 114 THR MG . . 2.930 2.299 2.205 2.366 . 0 0 "[ . 1 . 2]" 1
576 1 114 THR HA 1 115 GLU H . . 3.060 2.382 2.349 2.422 . 0 0 "[ . 1 . 2]" 1
577 1 114 THR HA 1 116 THR H . . 4.240 4.098 4.048 4.166 . 0 0 "[ . 1 . 2]" 1
578 1 114 THR HB 1 115 GLU H . . 2.920 2.438 2.351 2.519 . 0 0 "[ . 1 . 2]" 1
579 1 114 THR HB 1 116 THR H . . 3.330 2.517 2.451 2.602 . 0 0 "[ . 1 . 2]" 1
580 1 114 THR HB 1 117 ASP H . . 4.350 3.364 3.199 3.540 . 0 0 "[ . 1 . 2]" 1
581 1 114 THR MG 1 115 GLU H . . 3.700 3.555 3.402 3.662 . 0 0 "[ . 1 . 2]" 1
582 1 114 THR MG 1 116 THR H . . 4.170 4.144 4.109 4.167 . 0 0 "[ . 1 . 2]" 1
583 1 114 THR MG 1 117 ASP H . . 4.410 4.162 4.050 4.279 . 0 0 "[ . 1 . 2]" 1
584 1 115 GLU H 1 115 GLU HB2 . . 3.740 3.233 2.447 3.592 . 0 0 "[ . 1 . 2]" 1
585 1 115 GLU H 1 115 GLU QB . . 2.880 2.496 2.329 2.627 . 0 0 "[ . 1 . 2]" 1
586 1 115 GLU H 1 115 GLU HB3 . . 3.740 2.901 2.361 3.591 . 0 0 "[ . 1 . 2]" 1
587 1 115 GLU H 1 115 GLU HG2 . . 4.190 2.427 1.993 3.528 . 0 0 "[ . 1 . 2]" 1
588 1 115 GLU H 1 115 GLU QG . . 3.580 2.176 1.982 2.414 . 0 0 "[ . 1 . 2]" 1
589 1 115 GLU H 1 115 GLU HG3 . . 4.190 2.992 2.131 3.741 . 0 0 "[ . 1 . 2]" 1
590 1 115 GLU H 1 116 THR H . . 3.180 2.653 2.613 2.706 . 0 0 "[ . 1 . 2]" 1
591 1 115 GLU H 1 117 ASP H . . 4.840 4.337 4.253 4.486 . 0 0 "[ . 1 . 2]" 1
592 1 115 GLU HA 1 118 VAL H . . 3.930 3.880 3.770 3.930 0.000 13 0 "[ . 1 . 2]" 1
593 1 115 GLU HA 1 118 VAL HB . . 4.140 4.015 3.948 4.088 . 0 0 "[ . 1 . 2]" 1
594 1 115 GLU HA 1 118 VAL MG1 . . 4.050 1.946 1.907 1.987 . 0 0 "[ . 1 . 2]" 1
595 1 115 GLU HA 1 118 VAL MG2 . . 4.370 4.353 4.319 4.371 0.001 13 0 "[ . 1 . 2]" 1
596 1 115 GLU QB 1 116 THR H . . 4.000 3.326 2.821 3.591 . 0 0 "[ . 1 . 2]" 1
597 1 115 GLU QG 1 116 THR H . . 4.230 2.925 2.106 4.210 . 0 0 "[ . 1 . 2]" 1
598 1 116 THR H 1 116 THR HB . . 3.160 2.613 2.522 2.782 . 0 0 "[ . 1 . 2]" 1
599 1 116 THR H 1 116 THR MG . . 3.860 3.788 3.776 3.795 . 0 0 "[ . 1 . 2]" 1
600 1 116 THR H 1 117 ASP H . . 3.060 2.457 2.401 2.516 . 0 0 "[ . 1 . 2]" 1
601 1 116 THR HA 1 116 THR MG . . 3.250 2.308 2.140 2.397 . 0 0 "[ . 1 . 2]" 1
602 1 116 THR HA 1 119 LYS QB . . 4.120 2.731 2.579 2.946 . 0 0 "[ . 1 . 2]" 1
603 1 116 THR HB 1 117 ASP H . . 3.470 2.533 2.378 2.610 . 0 0 "[ . 1 . 2]" 1
604 1 116 THR MG 1 117 ASP H . . 3.920 3.594 3.380 3.821 . 0 0 "[ . 1 . 2]" 1
605 1 116 THR MG 1 118 VAL H . . 5.450 5.263 5.047 5.405 . 0 0 "[ . 1 . 2]" 1
606 1 116 THR MG 1 119 LYS HB2 . . 5.140 4.035 3.607 4.727 . 0 0 "[ . 1 . 2]" 1
607 1 116 THR MG 1 119 LYS QB . . 4.270 3.669 3.498 3.792 . 0 0 "[ . 1 . 2]" 1
608 1 116 THR MG 1 119 LYS HB3 . . 5.140 4.380 3.745 4.788 . 0 0 "[ . 1 . 2]" 1
609 1 116 THR MG 1 120 MET H . . 5.500 4.510 4.013 4.804 . 0 0 "[ . 1 . 2]" 1
610 1 116 THR MG 1 120 MET ME . . 3.410 3.016 2.303 3.369 . 0 0 "[ . 1 . 2]" 1
611 1 116 THR MG 1 120 MET HG2 . . 4.460 4.133 3.512 4.460 0.000 4 0 "[ . 1 . 2]" 1
612 1 116 THR MG 1 120 MET QG . . 3.670 3.403 2.782 3.669 . 0 0 "[ . 1 . 2]" 1
613 1 116 THR MG 1 120 MET HG3 . . 4.460 3.664 2.837 3.943 . 0 0 "[ . 1 . 2]" 1
614 1 117 ASP H 1 117 ASP HB2 . . 3.700 2.392 2.126 2.663 . 0 0 "[ . 1 . 2]" 1
615 1 117 ASP H 1 117 ASP QB . . 3.090 2.244 2.107 2.335 . 0 0 "[ . 1 . 2]" 1
616 1 117 ASP H 1 117 ASP HB3 . . 3.700 3.005 2.420 3.575 . 0 0 "[ . 1 . 2]" 1
617 1 117 ASP H 1 118 VAL H . . 3.120 2.665 2.577 2.707 . 0 0 "[ . 1 . 2]" 1
618 1 117 ASP H 1 118 VAL HB . . 5.110 5.050 4.991 5.106 . 0 0 "[ . 1 . 2]" 1
619 1 117 ASP H 1 118 VAL MG1 . . 4.050 3.746 3.652 3.905 . 0 0 "[ . 1 . 2]" 1
620 1 117 ASP QB 1 118 VAL H . . 3.220 2.499 2.362 2.628 . 0 0 "[ . 1 . 2]" 1
621 1 117 ASP QB 1 121 MET ME . . 5.330 4.312 3.654 4.968 . 0 0 "[ . 1 . 2]" 1
622 1 118 VAL H 1 118 VAL HB . . 3.060 2.524 2.484 2.599 . 0 0 "[ . 1 . 2]" 1
623 1 118 VAL H 1 118 VAL MG1 . . 3.100 2.097 1.968 2.183 . 0 0 "[ . 1 . 2]" 1
624 1 118 VAL H 1 118 VAL MG2 . . 4.170 3.761 3.756 3.769 . 0 0 "[ . 1 . 2]" 1
625 1 118 VAL H 1 119 LYS H . . 3.810 2.680 2.553 2.753 . 0 0 "[ . 1 . 2]" 1
626 1 118 VAL H 1 119 LYS QB . . 4.560 4.398 4.239 4.552 . 0 0 "[ . 1 . 2]" 1
627 1 118 VAL H 1 121 MET ME . . 4.590 4.412 4.062 4.590 0.000 13 0 "[ . 1 . 2]" 1
628 1 118 VAL HA 1 118 VAL MG1 . . 3.220 3.196 3.192 3.200 . 0 0 "[ . 1 . 2]" 1
629 1 118 VAL HA 1 118 VAL MG2 . . 3.400 2.295 2.238 2.368 . 0 0 "[ . 1 . 2]" 1
630 1 118 VAL HA 1 121 MET H . . 4.310 3.516 3.285 3.717 . 0 0 "[ . 1 . 2]" 1
631 1 118 VAL HA 1 121 MET ME . . 2.820 2.274 1.908 2.676 . 0 0 "[ . 1 . 2]" 1
632 1 118 VAL HB 1 119 LYS H . . 3.990 3.984 3.974 3.990 0.000 20 0 "[ . 1 . 2]" 1
633 1 118 VAL HB 1 121 MET ME . . 4.260 3.670 3.114 4.023 . 0 0 "[ . 1 . 2]" 1
634 1 118 VAL MG1 1 119 LYS H . . 4.620 2.055 1.962 2.152 . 0 0 "[ . 1 . 2]" 1
635 1 118 VAL MG1 1 119 LYS HA . . 3.620 3.293 3.196 3.356 . 0 0 "[ . 1 . 2]" 1
636 1 118 VAL MG1 1 119 LYS QG . . 4.530 3.500 2.654 4.522 . 0 0 "[ . 1 . 2]" 1
637 1 118 VAL MG1 1 121 MET ME . . 5.200 4.467 4.044 4.814 . 0 0 "[ . 1 . 2]" 1
638 1 118 VAL MG2 1 119 LYS H . . 4.040 3.723 3.605 3.809 . 0 0 "[ . 1 . 2]" 1
639 1 118 VAL MG2 1 121 MET ME . . 3.090 2.750 2.237 3.090 . 0 0 "[ . 1 . 2]" 1
640 1 118 VAL MG2 1 122 GLU H . . 4.380 3.821 3.405 4.222 . 0 0 "[ . 1 . 2]" 1
641 1 118 VAL MG2 1 122 GLU HG2 . . 3.830 2.951 2.459 3.766 . 0 0 "[ . 1 . 2]" 1
642 1 119 LYS H 1 119 LYS QB . . 3.570 2.116 2.039 2.247 . 0 0 "[ . 1 . 2]" 1
643 1 119 LYS H 1 119 LYS QD . . 5.500 4.195 2.902 4.744 . 0 0 "[ . 1 . 2]" 1
644 1 119 LYS H 1 119 LYS QE . . 5.500 4.921 3.931 5.478 . 0 0 "[ . 1 . 2]" 1
645 1 119 LYS H 1 119 LYS HG2 . . 5.500 3.878 2.916 4.604 . 0 0 "[ . 1 . 2]" 1
646 1 119 LYS H 1 119 LYS QG . . 4.620 3.416 2.778 3.969 . 0 0 "[ . 1 . 2]" 1
647 1 119 LYS H 1 119 LYS HG3 . . 5.500 3.906 3.023 4.522 . 0 0 "[ . 1 . 2]" 1
648 1 119 LYS H 1 120 MET H . . 3.360 2.676 2.548 2.823 . 0 0 "[ . 1 . 2]" 1
649 1 119 LYS H 1 120 MET QG . . 5.340 4.337 3.913 5.255 . 0 0 "[ . 1 . 2]" 1
650 1 119 LYS H 1 122 GLU H . . 5.190 4.778 4.586 5.053 . 0 0 "[ . 1 . 2]" 1
651 1 119 LYS H 1 122 GLU HG3 . . 5.500 4.572 3.932 5.056 . 0 0 "[ . 1 . 2]" 1
652 1 119 LYS HA 1 119 LYS QG . . 3.730 2.248 2.017 2.458 . 0 0 "[ . 1 . 2]" 1
653 1 119 LYS HA 1 122 GLU H . . 3.710 3.480 3.230 3.618 . 0 0 "[ . 1 . 2]" 1
654 1 119 LYS HA 1 122 GLU HB2 . . 4.000 2.699 2.102 3.525 . 0 0 "[ . 1 . 2]" 1
655 1 119 LYS HA 1 122 GLU HG3 . . 3.220 2.738 2.029 3.174 . 0 0 "[ . 1 . 2]" 1
656 1 119 LYS QB 1 120 MET H . . 4.070 2.643 2.331 2.873 . 0 0 "[ . 1 . 2]" 1
657 1 119 LYS HB2 1 120 MET H . . 4.910 3.159 2.568 3.923 . 0 0 "[ . 1 . 2]" 1
658 1 119 LYS HB3 1 120 MET H . . 4.910 2.959 2.362 3.391 . 0 0 "[ . 1 . 2]" 1
659 1 120 MET H 1 120 MET ME . . 4.560 4.430 4.246 4.564 0.004 4 0 "[ . 1 . 2]" 1
660 1 120 MET H 1 120 MET HG2 . . 3.860 2.924 2.200 3.860 . 0 0 "[ . 1 . 2]" 1
661 1 120 MET H 1 120 MET QG . . 3.370 2.332 1.983 3.052 . 0 0 "[ . 1 . 2]" 1
662 1 120 MET H 1 120 MET HG3 . . 3.860 2.577 2.019 3.326 . 0 0 "[ . 1 . 2]" 1
663 1 120 MET H 1 121 MET H . . 3.290 2.722 2.606 2.895 . 0 0 "[ . 1 . 2]" 1
664 1 120 MET HA 1 120 MET ME . . 4.790 4.615 3.967 4.789 . 0 0 "[ . 1 . 2]" 1
665 1 120 MET HA 1 120 MET QG . . 3.340 2.388 2.040 2.566 . 0 0 "[ . 1 . 2]" 1
666 1 120 MET QB 1 120 MET ME . . 3.900 3.221 2.499 3.605 . 0 0 "[ . 1 . 2]" 1
667 1 120 MET QB 1 121 MET H . . 3.490 2.545 2.311 2.848 . 0 0 "[ . 1 . 2]" 1
668 1 120 MET ME 1 120 MET QG . . 2.860 2.135 1.985 2.244 . 0 0 "[ . 1 . 2]" 1
669 1 120 MET QG 1 121 MET H . . 4.990 4.025 3.758 4.471 . 0 0 "[ . 1 . 2]" 1
670 1 121 MET H 1 121 MET QB . . 3.260 2.372 2.093 2.628 . 0 0 "[ . 1 . 2]" 1
671 1 121 MET H 1 121 MET ME . . 4.290 3.828 3.368 4.219 . 0 0 "[ . 1 . 2]" 1
672 1 121 MET H 1 121 MET QG . . 3.880 2.738 1.932 3.917 0.037 7 0 "[ . 1 . 2]" 1
673 1 121 MET H 1 122 GLU H . . 3.200 2.621 2.507 2.770 . 0 0 "[ . 1 . 2]" 1
674 1 121 MET H 1 122 GLU HB2 . . 5.500 4.693 4.417 5.048 . 0 0 "[ . 1 . 2]" 1
675 1 121 MET H 1 123 ARG H . . 4.820 4.051 3.861 4.346 . 0 0 "[ . 1 . 2]" 1
676 1 121 MET HA 1 121 MET ME . . 5.040 4.415 4.270 5.040 . 11 0 "[ . 1 . 2]" 1
677 1 121 MET HA 1 124 VAL H . . 3.740 3.396 3.121 3.743 0.003 4 0 "[ . 1 . 2]" 1
678 1 121 MET HA 1 124 VAL QG . . 3.370 2.708 2.164 3.349 . 0 0 "[ . 1 . 2]" 1
679 1 121 MET QB 1 122 GLU H . . 3.450 2.629 2.434 3.450 0.000 11 0 "[ . 1 . 2]" 1
680 1 121 MET QB 1 125 VAL MG2 . . 4.620 3.314 2.750 4.146 . 0 0 "[ . 1 . 2]" 1
681 1 121 MET ME 1 122 GLU HG2 . . 4.580 4.445 4.166 4.580 0.000 11 0 "[ . 1 . 2]" 1
682 1 122 GLU H 1 122 GLU HB2 . . 3.450 2.435 2.238 2.700 . 0 0 "[ . 1 . 2]" 1
683 1 122 GLU H 1 122 GLU HB3 . . 3.670 3.576 3.525 3.591 . 0 0 "[ . 1 . 2]" 1
684 1 122 GLU H 1 122 GLU HG2 . . 3.230 2.702 2.453 3.046 . 0 0 "[ . 1 . 2]" 1
685 1 122 GLU H 1 122 GLU HG3 . . 4.030 2.922 2.234 3.371 . 0 0 "[ . 1 . 2]" 1
686 1 122 GLU H 1 123 ARG H . . 3.250 2.716 2.552 2.840 . 0 0 "[ . 1 . 2]" 1
687 1 122 GLU H 1 125 VAL MG2 . . 4.490 4.057 3.771 4.479 . 0 0 "[ . 1 . 2]" 1
688 1 122 GLU HA 1 122 GLU HG2 . . 3.980 2.373 2.200 2.549 . 0 0 "[ . 1 . 2]" 1
689 1 122 GLU HA 1 122 GLU HG3 . . 3.800 3.591 3.464 3.692 . 0 0 "[ . 1 . 2]" 1
690 1 122 GLU HA 1 125 VAL MG2 . . 3.630 2.449 1.989 2.784 . 0 0 "[ . 1 . 2]" 1
691 1 122 GLU HB2 1 123 ARG H . . 3.210 2.906 2.570 3.083 . 0 0 "[ . 1 . 2]" 1
692 1 122 GLU HB2 1 125 VAL MG2 . . 5.500 5.043 4.686 5.290 . 0 0 "[ . 1 . 2]" 1
693 1 122 GLU HG3 1 125 VAL MG2 . . 5.500 5.301 4.949 5.501 0.001 11 0 "[ . 1 . 2]" 1
694 1 123 ARG H 1 123 ARG QB . . 3.370 2.110 2.046 2.264 . 0 0 "[ . 1 . 2]" 1
695 1 123 ARG H 1 123 ARG HD2 . . 5.500 4.910 4.120 5.437 . 0 0 "[ . 1 . 2]" 1
696 1 123 ARG H 1 123 ARG QD . . 4.810 4.300 3.294 4.726 . 0 0 "[ . 1 . 2]" 1
697 1 123 ARG H 1 123 ARG HD3 . . 5.500 4.824 3.464 5.500 0.000 4 0 "[ . 1 . 2]" 1
698 1 123 ARG H 1 123 ARG HG2 . . 4.700 4.324 3.835 4.639 . 0 0 "[ . 1 . 2]" 1
699 1 123 ARG H 1 123 ARG QG . . 4.030 3.583 2.920 4.032 0.002 6 0 "[ . 1 . 2]" 1
700 1 123 ARG H 1 123 ARG HG3 . . 4.700 3.867 2.979 4.445 . 0 0 "[ . 1 . 2]" 1
701 1 123 ARG H 1 124 VAL H . . 3.100 2.655 2.501 2.856 . 0 0 "[ . 1 . 2]" 1
702 1 123 ARG H 1 124 VAL HA . . 5.500 5.267 5.146 5.420 . 0 0 "[ . 1 . 2]" 1
703 1 123 ARG H 1 124 VAL QG . . 4.320 3.957 3.794 4.287 . 0 0 "[ . 1 . 2]" 1
704 1 123 ARG H 1 125 VAL H . . 4.740 4.008 3.858 4.262 . 0 0 "[ . 1 . 2]" 1
705 1 123 ARG HA 1 123 ARG HD2 . . 4.750 4.140 2.280 4.656 . 0 0 "[ . 1 . 2]" 1
706 1 123 ARG HA 1 123 ARG QD . . 4.170 3.630 2.261 4.040 . 0 0 "[ . 1 . 2]" 1
707 1 123 ARG HA 1 123 ARG HD3 . . 4.750 4.153 2.687 4.577 . 0 0 "[ . 1 . 2]" 1
708 1 123 ARG HA 1 123 ARG HE . . 5.490 5.021 4.417 5.491 0.001 4 0 "[ . 1 . 2]" 1
709 1 123 ARG HA 1 123 ARG QG . . 3.610 2.256 2.004 2.708 . 0 0 "[ . 1 . 2]" 1
710 1 123 ARG QB 1 123 ARG HE . . 4.090 3.577 2.404 4.051 . 0 0 "[ . 1 . 2]" 1
711 1 123 ARG QB 1 124 VAL H . . 4.390 2.581 2.291 2.858 . 0 0 "[ . 1 . 2]" 1
712 1 123 ARG QB 1 124 VAL QG . . 3.530 3.077 2.843 3.546 0.016 2 0 "[ . 1 . 2]" 1
713 1 123 ARG HE 1 123 ARG QG . . 3.480 2.686 2.093 3.297 . 0 0 "[ . 1 . 2]" 1
714 1 124 VAL H 1 124 VAL HB . . 3.270 2.599 2.514 2.689 . 0 0 "[ . 1 . 2]" 1
715 1 124 VAL H 1 124 VAL MG1 . . 4.030 3.583 1.909 3.775 . 0 0 "[ . 1 . 2]" 1
716 1 124 VAL H 1 124 VAL QG . . 3.170 2.126 1.903 2.285 . 0 0 "[ . 1 . 2]" 1
717 1 124 VAL H 1 124 VAL MG2 . . 4.030 2.324 2.008 3.777 . 0 0 "[ . 1 . 2]" 1
718 1 124 VAL H 1 125 VAL H . . 3.190 2.571 2.446 2.688 . 0 0 "[ . 1 . 2]" 1
719 1 124 VAL H 1 125 VAL MG2 . . 5.200 3.970 3.777 4.099 . 0 0 "[ . 1 . 2]" 1
720 1 124 VAL HA 1 127 GLN H . . 3.730 3.596 3.312 3.734 0.004 20 0 "[ . 1 . 2]" 1
721 1 124 VAL HB 1 128 MET ME . . 4.200 3.820 3.255 4.203 0.003 2 0 "[ . 1 . 2]" 1
722 1 124 VAL QG 1 125 VAL H . . 3.800 3.180 2.141 3.355 . 0 0 "[ . 1 . 2]" 1
723 1 124 VAL QG 1 125 VAL HA . . 3.780 3.557 2.982 3.781 0.001 15 0 "[ . 1 . 2]" 1
724 1 124 VAL QG 1 128 MET H . . 4.330 3.969 3.643 4.289 . 0 0 "[ . 1 . 2]" 1
725 1 124 VAL QG 1 128 MET QB . . 3.920 3.645 2.831 3.921 0.001 6 0 "[ . 1 . 2]" 1
726 1 124 VAL QG 1 128 MET ME . . 2.680 2.487 1.819 2.681 0.001 1 0 "[ . 1 . 2]" 1
727 1 124 VAL MG1 1 125 VAL H . . 5.170 3.482 2.155 3.761 . 0 0 "[ . 1 . 2]" 1
728 1 124 VAL MG2 1 125 VAL H . . 5.170 3.778 3.641 3.879 . 0 0 "[ . 1 . 2]" 1
729 1 125 VAL H 1 125 VAL HB . . 2.890 2.578 2.518 2.680 . 0 0 "[ . 1 . 2]" 1
730 1 125 VAL H 1 125 VAL MG1 . . 4.530 3.764 3.757 3.769 . 0 0 "[ . 1 . 2]" 1
731 1 125 VAL H 1 125 VAL MG2 . . 3.120 2.192 2.027 2.343 . 0 0 "[ . 1 . 2]" 1
732 1 125 VAL H 1 126 GLU H . . 3.450 2.655 2.537 2.740 . 0 0 "[ . 1 . 2]" 1
733 1 125 VAL H 1 127 GLN H . . 4.900 4.492 4.320 4.746 . 0 0 "[ . 1 . 2]" 1
734 1 125 VAL H 1 128 MET ME . . 4.230 3.884 3.329 4.231 0.001 14 0 "[ . 1 . 2]" 1
735 1 125 VAL HA 1 125 VAL MG1 . . 3.260 2.364 2.291 2.397 . 0 0 "[ . 1 . 2]" 1
736 1 125 VAL HA 1 125 VAL MG2 . . 3.090 2.346 2.280 2.398 . 0 0 "[ . 1 . 2]" 1
737 1 125 VAL HA 1 128 MET H . . 3.860 3.591 3.296 3.788 . 0 0 "[ . 1 . 2]" 1
738 1 125 VAL HA 1 128 MET ME . . 2.910 2.149 1.899 2.545 . 0 0 "[ . 1 . 2]" 1
739 1 125 VAL HB 1 126 GLU H . . 3.020 2.747 2.512 2.815 . 0 0 "[ . 1 . 2]" 1
740 1 125 VAL MG1 1 126 GLU H . . 3.740 3.594 3.385 3.737 . 0 0 "[ . 1 . 2]" 1
741 1 125 VAL MG2 1 126 GLU QB . . 5.500 5.096 5.014 5.190 . 0 0 "[ . 1 . 2]" 1
742 1 125 VAL MG2 1 128 MET ME . . 3.360 2.839 2.302 3.291 . 0 0 "[ . 1 . 2]" 1
743 1 126 GLU H 1 126 GLU QB . . 2.930 2.238 2.227 2.248 . 0 0 "[ . 1 . 2]" 1
744 1 126 GLU H 1 126 GLU QG . . 4.130 3.957 3.930 4.001 . 0 0 "[ . 1 . 2]" 1
745 1 126 GLU H 1 127 GLN H . . 3.230 2.750 2.623 2.935 . 0 0 "[ . 1 . 2]" 1
746 1 126 GLU QB 1 127 GLN H . . 2.730 2.353 2.234 2.478 . 0 0 "[ . 1 . 2]" 1
747 1 126 GLU QB 1 128 MET H . . 4.580 4.512 4.306 4.581 0.001 2 0 "[ . 1 . 2]" 1
748 1 126 GLU QB 1 129 CYS H . . 5.500 5.055 4.776 5.526 0.026 10 0 "[ . 1 . 2]" 1
749 1 126 GLU QG 1 127 GLN H . . 3.230 3.189 3.055 3.232 0.002 10 0 "[ . 1 . 2]" 1
750 1 127 GLN H 1 128 MET H . . 3.140 2.704 2.473 2.801 . 0 0 "[ . 1 . 2]" 1
751 1 127 GLN H 1 129 CYS H . . 4.610 4.352 4.103 4.643 0.033 20 0 "[ . 1 . 2]" 1
752 1 128 MET H 1 128 MET QB . . 3.680 2.119 2.039 2.302 . 0 0 "[ . 1 . 2]" 1
753 1 128 MET H 1 128 MET ME . . 4.060 3.870 3.609 4.062 0.002 14 0 "[ . 1 . 2]" 1
754 1 128 MET H 1 129 CYS H . . 3.460 2.677 2.430 2.954 . 0 0 "[ . 1 . 2]" 1
755 1 128 MET HA 1 128 MET ME . . 4.440 4.314 4.167 4.432 . 0 0 "[ . 1 . 2]" 1
756 1 128 MET QB 1 128 MET ME . . 3.030 2.123 1.997 2.433 . 0 0 "[ . 1 . 2]" 1
757 1 128 MET ME 1 129 CYS H . . 4.960 4.625 3.813 4.962 0.002 14 0 "[ . 1 . 2]" 1
758 1 129 CYS H 1 130 ILE H . . 4.350 2.703 2.598 2.824 . 0 0 "[ . 1 . 2]" 1
759 1 129 CYS H 1 130 ILE HA . . 5.410 5.308 5.217 5.406 . 0 0 "[ . 1 . 2]" 1
760 1 130 ILE H 1 130 ILE MD . . 4.220 3.140 1.949 3.633 . 0 0 "[ . 1 . 2]" 1
761 1 130 ILE H 1 130 ILE HG12 . . 5.500 2.572 1.979 3.869 . 0 0 "[ . 1 . 2]" 1
762 1 130 ILE H 1 130 ILE HG13 . . 5.500 3.212 2.069 3.739 . 0 0 "[ . 1 . 2]" 1
763 1 130 ILE H 1 130 ILE MG . . 4.210 3.771 3.740 3.780 . 0 0 "[ . 1 . 2]" 1
764 1 130 ILE HA 1 130 ILE MD . . 4.370 2.568 1.976 3.881 . 0 0 "[ . 1 . 2]" 1
765 1 130 ILE HB 1 131 THR H . . 3.100 2.723 2.251 2.888 . 0 0 "[ . 1 . 2]" 1
766 1 130 ILE MG 1 131 THR H . . 3.800 3.628 3.396 3.761 . 0 0 "[ . 1 . 2]" 1
767 1 131 THR H 1 131 THR HB . . 3.080 2.632 2.533 2.771 . 0 0 "[ . 1 . 2]" 1
768 1 131 THR H 1 131 THR MG . . 3.840 3.760 3.736 3.774 . 0 0 "[ . 1 . 2]" 1
769 1 131 THR H 1 132 GLN H . . 3.590 2.701 2.511 2.773 . 0 0 "[ . 1 . 2]" 1
770 1 131 THR HA 1 131 THR MG . . 3.610 2.297 2.164 2.388 . 0 0 "[ . 1 . 2]" 1
771 1 131 THR MG 1 132 GLN H . . 4.180 3.637 3.490 3.814 . 0 0 "[ . 1 . 2]" 1
772 1 132 GLN H 1 132 GLN QE . . 5.340 4.639 3.927 5.184 . 0 0 "[ . 1 . 2]" 1
773 1 132 GLN H 1 132 GLN QG . . 4.860 3.342 2.045 4.045 . 0 0 "[ . 1 . 2]" 1
774 1 133 TYR QB 1 134 GLU H . . 3.550 3.441 2.843 3.619 0.069 14 0 "[ . 1 . 2]" 1
775 1 133 TYR HB2 1 134 GLU H . . 4.350 4.231 3.484 4.349 . 0 0 "[ . 1 . 2]" 1
776 1 133 TYR HB3 1 134 GLU H . . 4.350 3.670 3.014 4.249 . 0 0 "[ . 1 . 2]" 1
777 1 134 GLU H 1 134 GLU HB2 . . 4.050 3.081 2.135 3.607 . 0 0 "[ . 1 . 2]" 1
778 1 134 GLU H 1 134 GLU QB . . 3.420 2.414 2.115 2.595 . 0 0 "[ . 1 . 2]" 1
779 1 134 GLU H 1 134 GLU HB3 . . 4.050 2.951 2.469 3.605 . 0 0 "[ . 1 . 2]" 1
780 1 134 GLU H 1 134 GLU QG . . 3.040 2.357 1.958 3.023 . 0 0 "[ . 1 . 2]" 1
781 1 134 GLU HA 1 134 GLU QG . . 3.520 2.969 2.236 3.435 . 0 0 "[ . 1 . 2]" 1
782 1 134 GLU QB 1 135 ARG H . . 4.000 3.192 2.421 3.675 . 0 0 "[ . 1 . 2]" 1
783 1 135 ARG H 1 135 ARG QB . . 3.550 2.203 2.039 2.545 . 0 0 "[ . 1 . 2]" 1
784 1 135 ARG H 1 135 ARG QG . . 4.520 3.441 2.311 4.043 . 0 0 "[ . 1 . 2]" 1
785 1 135 ARG HA 1 135 ARG HG2 . . 4.220 2.821 2.024 3.758 . 0 0 "[ . 1 . 2]" 1
786 1 135 ARG HA 1 135 ARG QG . . 3.380 2.359 2.005 3.339 . 0 0 "[ . 1 . 2]" 1
787 1 135 ARG HA 1 135 ARG HG3 . . 4.220 2.925 2.078 3.744 . 0 0 "[ . 1 . 2]" 1
788 1 138 GLN H 1 138 GLN QB . . 3.600 2.154 2.065 2.264 . 0 0 "[ . 1 . 2]" 1
789 1 138 GLN H 1 138 GLN QG . . 4.710 3.706 2.782 4.031 . 0 0 "[ . 1 . 2]" 1
790 1 138 GLN HA 1 138 GLN HG2 . . 3.740 2.850 2.066 3.692 . 0 0 "[ . 1 . 2]" 1
791 1 138 GLN HA 1 138 GLN HG3 . . 3.740 2.769 2.022 3.630 . 0 0 "[ . 1 . 2]" 1
792 1 138 GLN QB 1 139 ALA H . . 3.560 2.698 2.287 2.934 . 0 0 "[ . 1 . 2]" 1
793 1 138 GLN QG 1 139 ALA H . . 5.310 4.225 3.516 4.547 . 0 0 "[ . 1 . 2]" 1
794 1 139 ALA H 1 139 ALA MB . . 2.980 2.136 2.035 2.237 . 0 0 "[ . 1 . 2]" 1
795 1 139 ALA H 1 140 TYR H . . 3.680 2.633 2.471 2.822 . 0 0 "[ . 1 . 2]" 1
796 1 139 ALA MB 1 140 TYR H . . 3.960 2.815 2.486 3.071 . 0 0 "[ . 1 . 2]" 1
797 1 140 TYR H 1 140 TYR HB2 . . 3.560 2.487 2.067 3.519 . 0 0 "[ . 1 . 2]" 1
798 1 140 TYR H 1 140 TYR HB3 . . 3.560 2.824 2.225 3.447 . 0 0 "[ . 1 . 2]" 1
799 1 140 TYR HA 1 140 TYR QD . . 4.080 2.949 2.308 3.706 . 0 0 "[ . 1 . 2]" 1
800 1 141 TYR H 1 141 TYR HB2 . . 3.630 2.229 2.066 2.618 . 0 0 "[ . 1 . 2]" 1
801 1 141 TYR H 1 141 TYR HB3 . . 3.630 2.967 2.458 3.433 . 0 0 "[ . 1 . 2]" 1
802 1 141 TYR HA 1 141 TYR QD . . 3.510 2.641 2.098 3.029 . 0 0 "[ . 1 . 2]" 1
803 1 141 TYR QB 1 142 GLN H . . 3.980 2.609 2.309 2.963 . 0 0 "[ . 1 . 2]" 1
804 1 141 TYR HB2 1 142 GLN H . . 4.850 3.494 2.985 3.874 . 0 0 "[ . 1 . 2]" 1
805 1 141 TYR HB3 1 142 GLN H . . 4.850 2.731 2.330 3.393 . 0 0 "[ . 1 . 2]" 1
806 1 142 GLN H 1 142 GLN HB2 . . 3.890 2.481 2.063 3.066 . 0 0 "[ . 1 . 2]" 1
807 1 142 GLN H 1 142 GLN QB . . 3.270 2.399 2.040 2.948 . 0 0 "[ . 1 . 2]" 1
808 1 142 GLN H 1 142 GLN HB3 . . 3.890 3.342 2.497 3.889 . 0 0 "[ . 1 . 2]" 1
809 1 142 GLN H 1 142 GLN QG . . 4.020 3.578 2.322 4.014 . 0 0 "[ . 1 . 2]" 1
810 1 142 GLN HA 1 142 GLN QG . . 3.350 2.220 2.002 2.667 . 0 0 "[ . 1 . 2]" 1
811 1 142 GLN HA 1 143 ARG H . . 3.270 2.374 2.142 2.855 . 0 0 "[ . 1 . 2]" 1
812 1 142 GLN QB 1 143 ARG H . . 3.930 3.072 2.399 3.837 . 0 0 "[ . 1 . 2]" 1
813 1 142 GLN HB2 1 143 ARG H . . 4.540 4.091 3.698 4.527 . 0 0 "[ . 1 . 2]" 1
814 1 142 GLN HB3 1 143 ARG H . . 4.540 3.205 2.430 4.159 . 0 0 "[ . 1 . 2]" 1
815 1 142 GLN QG 1 143 ARG H . . 4.570 2.936 1.985 4.416 . 0 0 "[ . 1 . 2]" 1
816 1 143 ARG H 1 143 ARG HG2 . . 4.450 3.134 2.181 4.197 . 0 0 "[ . 1 . 2]" 1
817 1 143 ARG H 1 143 ARG QG . . 3.590 2.574 2.151 3.360 . 0 0 "[ . 1 . 2]" 1
818 1 143 ARG H 1 143 ARG HG3 . . 4.450 3.132 2.175 4.033 . 0 0 "[ . 1 . 2]" 1
819 1 143 ARG HA 1 144 GLY H . . 3.130 2.439 2.148 3.062 . 0 0 "[ . 1 . 2]" 1
820 1 143 ARG QB 1 144 GLY H . . 3.700 2.637 1.941 3.695 . 0 0 "[ . 1 . 2]" 1
821 1 143 ARG QG 1 144 GLY H . . 4.260 3.703 2.868 4.285 0.025 14 0 "[ . 1 . 2]" 1
822 1 144 GLY QA 1 145 SER H . . 3.310 2.322 2.110 2.799 . 0 0 "[ . 1 . 2]" 1
823 1 145 SER H 1 145 SER QB . . 3.610 2.828 2.110 3.447 . 0 0 "[ . 1 . 2]" 1
824 1 145 SER QB 1 146 SER H . . 5.210 2.874 2.017 4.027 . 0 0 "[ . 1 . 2]" 1
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