NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576540 |
2mfl   |
19554 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mfl
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 655
_Distance_constraint_stats_list.Viol_count 473
_Distance_constraint_stats_list.Viol_total 78.997
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_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 94 ARG 0.006 0.005 10 0 "[ . 1]"
1 95 HIS 0.033 0.011 10 0 "[ . 1]"
1 96 GLU 0.000 0.000 . 0 "[ . 1]"
1 97 ALA 0.000 0.000 . 0 "[ . 1]"
1 98 TRP 0.119 0.013 10 0 "[ . 1]"
1 99 ILE 0.000 0.000 . 0 "[ . 1]"
1 100 THR 0.021 0.016 2 0 "[ . 1]"
1 101 LEU 0.099 0.048 10 0 "[ . 1]"
1 102 GLU 0.583 0.224 6 0 "[ . 1]"
1 103 LYS 0.048 0.025 6 0 "[ . 1]"
1 104 ALA 0.028 0.011 2 0 "[ . 1]"
1 105 TYR 0.110 0.023 7 0 "[ . 1]"
1 106 GLU 0.043 0.011 2 0 "[ . 1]"
1 107 ASP 0.012 0.007 5 0 "[ . 1]"
1 108 ALA 0.000 0.000 . 0 "[ . 1]"
1 109 GLU 0.035 0.007 5 0 "[ . 1]"
1 110 THR 0.000 0.000 . 0 "[ . 1]"
1 111 VAL 0.001 0.001 10 0 "[ . 1]"
1 112 THR 0.050 0.010 10 0 "[ . 1]"
1 113 GLY 0.032 0.010 10 0 "[ . 1]"
1 114 VAL 0.512 0.083 1 0 "[ . 1]"
1 115 ILE 0.348 0.028 6 0 "[ . 1]"
1 116 ASN 0.033 0.016 9 0 "[ . 1]"
1 117 GLY 0.268 0.043 3 0 "[ . 1]"
1 118 LYS 0.187 0.033 3 0 "[ . 1]"
1 119 VAL 0.207 0.023 3 0 "[ . 1]"
1 120 LYS 0.000 0.000 . 0 "[ . 1]"
1 121 GLY 0.000 0.000 . 0 "[ . 1]"
1 122 GLY 0.101 0.027 3 0 "[ . 1]"
1 123 PHE 0.597 0.100 9 0 "[ . 1]"
1 124 THR 0.147 0.031 9 0 "[ . 1]"
1 125 VAL 0.341 0.043 3 0 "[ . 1]"
1 126 GLU 0.039 0.028 9 0 "[ . 1]"
1 127 LEU 0.092 0.021 9 0 "[ . 1]"
1 128 ASN 0.086 0.023 9 0 "[ . 1]"
1 129 GLY 0.009 0.006 10 0 "[ . 1]"
1 130 ILE 0.102 0.028 9 0 "[ . 1]"
1 131 ARG 0.000 0.000 . 0 "[ . 1]"
1 132 ALA 0.066 0.024 9 0 "[ . 1]"
1 133 PHE 0.329 0.050 4 0 "[ . 1]"
1 134 LEU 0.368 0.046 3 0 "[ . 1]"
1 135 PRO 0.033 0.016 1 0 "[ . 1]"
1 136 GLY 0.053 0.027 3 0 "[ . 1]"
1 138 LEU 0.000 0.000 . 0 "[ . 1]"
1 139 VAL 0.692 0.211 9 0 "[ . 1]"
1 140 ASP 0.161 0.133 9 0 "[ . 1]"
1 144 VAL 0.001 0.001 8 0 "[ . 1]"
1 145 ARG 0.001 0.001 8 0 "[ . 1]"
1 146 ASP 0.000 0.000 . 0 "[ . 1]"
1 147 THR 0.008 0.008 1 0 "[ . 1]"
1 148 LEU 0.125 0.034 10 0 "[ . 1]"
1 149 HIS 0.301 0.106 4 0 "[ . 1]"
1 150 LEU 0.196 0.106 4 0 "[ . 1]"
1 151 GLU 0.038 0.015 6 0 "[ . 1]"
1 152 GLY 0.111 0.031 6 0 "[ . 1]"
1 153 LYS 0.197 0.042 6 0 "[ . 1]"
1 154 GLU 0.294 0.046 9 0 "[ . 1]"
1 155 LEU 0.172 0.035 1 0 "[ . 1]"
1 156 GLU 0.076 0.076 8 0 "[ . 1]"
1 157 PHE 0.421 0.032 6 0 "[ . 1]"
1 158 LYS 0.065 0.035 6 0 "[ . 1]"
1 159 VAL 0.036 0.013 5 0 "[ . 1]"
1 160 ILE 0.139 0.044 6 0 "[ . 1]"
1 161 LYS 0.002 0.002 5 0 "[ . 1]"
1 162 LEU 0.095 0.023 7 0 "[ . 1]"
1 163 ASP 0.000 0.000 . 0 "[ . 1]"
1 164 GLN 0.007 0.007 6 0 "[ . 1]"
1 165 LYS 0.000 0.000 . 0 "[ . 1]"
1 166 ARG 0.000 0.000 . 0 "[ . 1]"
1 167 ASN 0.023 0.023 1 0 "[ . 1]"
1 168 ASN 0.032 0.023 1 0 "[ . 1]"
1 169 VAL 0.023 0.014 3 0 "[ . 1]"
1 170 VAL 0.112 0.050 4 0 "[ . 1]"
1 171 VAL 0.503 0.046 3 0 "[ . 1]"
1 172 SER 0.065 0.035 6 0 "[ . 1]"
1 174 ARG 0.000 0.000 . 0 "[ . 1]"
1 175 ALA 0.011 0.011 3 0 "[ . 1]"
1 176 VAL 0.130 0.096 3 0 "[ . 1]"
1 177 ILE 0.223 0.223 3 0 "[ . 1]"
1 178 GLU 0.372 0.223 3 0 "[ . 1]"
1 179 SER 0.138 0.032 6 0 "[ . 1]"
1 180 GLU 0.876 0.262 7 0 "[ . 1]"
1 181 ASN 0.864 0.262 7 0 "[ . 1]"
1 182 SER 0.986 0.131 6 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 94 ARG H 1 94 ARG QB . . 3.600 2.142 2.060 2.204 . 0 0 "[ . 1]" 1
2 1 94 ARG H 1 94 ARG QG . . 4.200 3.769 3.005 4.057 . 0 0 "[ . 1]" 1
3 1 94 ARG HA 1 94 ARG HD2 . . 4.510 3.049 2.006 4.431 . 0 0 "[ . 1]" 1
4 1 94 ARG HA 1 94 ARG QD . . 3.840 2.525 1.983 3.824 . 0 0 "[ . 1]" 1
5 1 94 ARG HA 1 94 ARG HD3 . . 4.510 3.221 2.227 4.179 . 0 0 "[ . 1]" 1
6 1 94 ARG HA 1 98 TRP HD1 . . 4.670 4.631 4.500 4.675 0.005 10 0 "[ . 1]" 1
7 1 94 ARG QB 1 98 TRP HD1 . . 4.130 3.770 3.238 4.127 . 0 0 "[ . 1]" 1
8 1 94 ARG QG 1 98 TRP HD1 . . 4.190 3.401 2.304 4.189 . 0 0 "[ . 1]" 1
9 1 95 HIS HA 1 98 TRP HH2 . . 4.540 4.491 4.215 4.551 0.011 10 0 "[ . 1]" 1
10 1 95 HIS HA 1 98 TRP HZ2 . . 4.410 4.321 4.000 4.412 0.002 3 0 "[ . 1]" 1
11 1 96 GLU H 1 96 GLU QB . . 3.680 2.335 2.181 2.670 . 0 0 "[ . 1]" 1
12 1 96 GLU H 1 96 GLU QG . . 4.290 3.371 1.929 4.067 . 0 0 "[ . 1]" 1
13 1 96 GLU QB 1 97 ALA H . . 3.820 2.773 2.436 3.493 . 0 0 "[ . 1]" 1
14 1 97 ALA H 1 97 ALA MB . . 3.660 2.189 2.027 2.265 . 0 0 "[ . 1]" 1
15 1 97 ALA HA 1 99 ILE H . . 4.340 3.521 3.474 3.592 . 0 0 "[ . 1]" 1
16 1 97 ALA MB 1 98 TRP H . . 3.480 3.013 2.948 3.090 . 0 0 "[ . 1]" 1
17 1 97 ALA MB 1 98 TRP HD1 . . 3.720 3.494 3.254 3.614 . 0 0 "[ . 1]" 1
18 1 98 TRP H 1 98 TRP QB . . 3.550 2.338 2.293 2.414 . 0 0 "[ . 1]" 1
19 1 98 TRP H 1 99 ILE H . . 3.190 2.683 2.671 2.696 . 0 0 "[ . 1]" 1
20 1 98 TRP HA 1 102 GLU H . . 5.080 4.514 4.035 5.086 0.006 5 0 "[ . 1]" 1
21 1 98 TRP HA 1 130 ILE MD . . 5.020 4.217 3.819 4.726 . 0 0 "[ . 1]" 1
22 1 98 TRP QB 1 99 ILE H . . 3.680 2.975 2.952 2.994 . 0 0 "[ . 1]" 1
23 1 98 TRP HB2 1 98 TRP HE3 . . 4.100 2.852 2.716 2.946 . 0 0 "[ . 1]" 1
24 1 98 TRP HB3 1 98 TRP HE3 . . 4.100 3.045 2.945 3.196 . 0 0 "[ . 1]" 1
25 1 98 TRP HD1 1 130 ILE MD . . 4.510 3.564 2.902 4.422 . 0 0 "[ . 1]" 1
26 1 98 TRP HE3 1 101 LEU QD . . 4.520 4.501 4.449 4.533 0.013 10 0 "[ . 1]" 1
27 1 98 TRP HE3 1 130 ILE MD . . 4.440 4.374 4.010 4.446 0.006 9 0 "[ . 1]" 1
28 1 98 TRP HZ2 1 130 ILE MD . . 4.830 3.632 2.468 4.834 0.004 4 0 "[ . 1]" 1
29 1 98 TRP HZ2 1 130 ILE QG . . 4.480 3.734 2.773 4.483 0.003 6 0 "[ . 1]" 1
30 1 98 TRP HZ2 1 130 ILE MG . . 4.530 4.517 4.395 4.535 0.005 2 0 "[ . 1]" 1
31 1 99 ILE H 1 99 ILE HB . . 3.640 3.003 2.582 3.616 . 0 0 "[ . 1]" 1
32 1 99 ILE H 1 99 ILE MD . . 4.480 3.456 3.218 3.706 . 0 0 "[ . 1]" 1
33 1 99 ILE H 1 99 ILE HG12 . . 3.750 2.773 2.014 3.447 . 0 0 "[ . 1]" 1
34 1 99 ILE H 1 99 ILE HG13 . . 3.750 2.683 1.948 3.514 . 0 0 "[ . 1]" 1
35 1 99 ILE H 1 99 ILE MG . . 3.970 3.118 2.079 3.765 . 0 0 "[ . 1]" 1
36 1 99 ILE H 1 100 THR H . . 3.450 2.742 2.714 2.769 . 0 0 "[ . 1]" 1
37 1 99 ILE HA 1 102 GLU H . . 4.040 3.718 3.362 3.896 . 0 0 "[ . 1]" 1
38 1 99 ILE HB 1 100 THR H . . 4.130 3.327 2.880 4.005 . 0 0 "[ . 1]" 1
39 1 99 ILE QG 1 100 THR H . . 4.420 3.360 2.183 4.117 . 0 0 "[ . 1]" 1
40 1 99 ILE MG 1 100 THR H . . 4.080 3.812 3.683 3.968 . 0 0 "[ . 1]" 1
41 1 100 THR H 1 100 THR HB . . 3.630 3.326 2.524 3.646 0.016 2 0 "[ . 1]" 1
42 1 100 THR H 1 100 THR MG . . 3.880 2.703 2.219 3.782 . 0 0 "[ . 1]" 1
43 1 100 THR HB 1 101 LEU H . . 4.550 3.403 2.949 3.963 . 0 0 "[ . 1]" 1
44 1 101 LEU H 1 101 LEU QB . . 3.510 2.500 2.129 2.619 . 0 0 "[ . 1]" 1
45 1 101 LEU H 1 101 LEU QD . . 4.020 2.970 2.570 3.736 . 0 0 "[ . 1]" 1
46 1 101 LEU H 1 101 LEU HG . . 4.130 2.306 1.946 4.178 0.048 10 0 "[ . 1]" 1
47 1 101 LEU H 1 102 GLU H . . 3.510 2.608 2.514 2.678 . 0 0 "[ . 1]" 1
48 1 101 LEU HA 1 104 ALA H . . 3.970 3.205 2.879 3.333 . 0 0 "[ . 1]" 1
49 1 101 LEU QB 1 102 GLU H . . 3.860 3.229 2.358 3.672 . 0 0 "[ . 1]" 1
50 1 101 LEU QD 1 130 ILE MD . . 3.190 1.955 1.708 2.273 . 0 0 "[ . 1]" 1
51 1 101 LEU MD1 1 130 ILE MD . . 3.820 2.274 1.784 3.814 . 0 0 "[ . 1]" 1
52 1 101 LEU MD2 1 130 ILE MD . . 3.820 2.802 1.778 3.523 . 0 0 "[ . 1]" 1
53 1 101 LEU HG 1 102 GLU H . . 4.140 3.334 2.349 4.148 0.008 5 0 "[ . 1]" 1
54 1 101 LEU HG 1 130 ILE MD . . 4.730 4.291 3.587 4.695 . 0 0 "[ . 1]" 1
55 1 102 GLU H 1 102 GLU QB . . 3.020 2.254 2.047 2.577 . 0 0 "[ . 1]" 1
56 1 102 GLU H 1 102 GLU QG . . 3.610 3.017 1.932 3.834 0.224 6 0 "[ . 1]" 1
57 1 102 GLU H 1 103 LYS H . . 3.880 2.774 2.462 2.993 . 0 0 "[ . 1]" 1
58 1 102 GLU QB 1 103 LYS H . . 3.990 2.665 2.418 3.296 . 0 0 "[ . 1]" 1
59 1 102 GLU QG 1 103 LYS H . . 4.230 3.605 1.986 4.240 0.010 4 0 "[ . 1]" 1
60 1 103 LYS H 1 103 LYS HB2 . . 3.750 2.502 2.216 3.618 . 0 0 "[ . 1]" 1
61 1 103 LYS H 1 103 LYS QB . . 3.210 2.367 2.194 2.581 . 0 0 "[ . 1]" 1
62 1 103 LYS H 1 103 LYS HB3 . . 3.750 3.472 2.642 3.604 . 0 0 "[ . 1]" 1
63 1 103 LYS H 1 103 LYS QD . . 3.730 3.287 2.066 3.755 0.025 6 0 "[ . 1]" 1
64 1 103 LYS H 1 103 LYS HG2 . . 4.310 3.410 2.040 4.177 . 0 0 "[ . 1]" 1
65 1 103 LYS H 1 103 LYS QG . . 3.710 2.570 2.028 3.433 . 0 0 "[ . 1]" 1
66 1 103 LYS H 1 103 LYS HG3 . . 4.310 3.047 2.247 3.675 . 0 0 "[ . 1]" 1
67 1 103 LYS HB2 1 104 ALA H . . 4.080 3.133 2.932 4.024 . 0 0 "[ . 1]" 1
68 1 103 LYS HB3 1 104 ALA H . . 4.080 3.853 3.592 4.086 0.006 2 0 "[ . 1]" 1
69 1 103 LYS QD 1 104 ALA H . . 5.340 4.770 4.271 5.124 . 0 0 "[ . 1]" 1
70 1 104 ALA H 1 104 ALA MB . . 3.020 2.119 2.029 2.244 . 0 0 "[ . 1]" 1
71 1 104 ALA H 1 105 TYR H . . 3.810 2.689 2.445 2.968 . 0 0 "[ . 1]" 1
72 1 104 ALA H 1 106 GLU H . . 4.170 4.053 3.756 4.181 0.011 2 0 "[ . 1]" 1
73 1 104 ALA MB 1 105 TYR H . . 3.560 2.569 2.307 2.863 . 0 0 "[ . 1]" 1
74 1 105 TYR H 1 105 TYR HB2 . . 4.200 2.572 2.316 2.675 . 0 0 "[ . 1]" 1
75 1 105 TYR H 1 105 TYR QB . . 3.370 2.400 2.243 2.604 . 0 0 "[ . 1]" 1
76 1 105 TYR H 1 105 TYR HB3 . . 4.200 3.135 2.434 3.596 . 0 0 "[ . 1]" 1
77 1 105 TYR H 1 105 TYR QD . . 4.300 3.285 1.947 4.196 . 0 0 "[ . 1]" 1
78 1 105 TYR H 1 106 GLU H . . 2.860 2.693 2.535 2.755 . 0 0 "[ . 1]" 1
79 1 105 TYR H 1 162 LEU QD . . 3.860 3.865 3.837 3.883 0.023 7 0 "[ . 1]" 1
80 1 105 TYR HA 1 105 TYR QD . . 3.770 2.450 2.157 3.069 . 0 0 "[ . 1]" 1
81 1 105 TYR HA 1 105 TYR QE . . 4.670 4.536 4.461 4.600 . 0 0 "[ . 1]" 1
82 1 105 TYR QB 1 106 GLU H . . 4.290 2.844 2.715 2.954 . 0 0 "[ . 1]" 1
83 1 105 TYR QD 1 106 GLU H . . 4.270 4.248 4.144 4.277 0.007 7 0 "[ . 1]" 1
84 1 105 TYR QD 1 159 VAL HB . . 4.330 2.986 2.078 4.331 0.001 4 0 "[ . 1]" 1
85 1 105 TYR QD 1 159 VAL QG . . 3.100 2.000 1.803 2.369 . 0 0 "[ . 1]" 1
86 1 105 TYR QE 1 159 VAL MG1 . . 4.960 3.386 2.265 4.852 . 0 0 "[ . 1]" 1
87 1 105 TYR QE 1 159 VAL QG . . 4.100 2.679 2.217 3.736 . 0 0 "[ . 1]" 1
88 1 105 TYR QE 1 159 VAL MG2 . . 4.960 3.474 2.238 4.973 0.013 5 0 "[ . 1]" 1
89 1 106 GLU H 1 106 GLU QB . . 3.150 2.130 2.043 2.449 . 0 0 "[ . 1]" 1
90 1 106 GLU H 1 106 GLU QG . . 3.640 3.297 2.202 3.636 . 0 0 "[ . 1]" 1
91 1 106 GLU H 1 107 ASP H . . 3.200 2.696 2.644 2.802 . 0 0 "[ . 1]" 1
92 1 106 GLU QB 1 107 ASP H . . 2.980 2.890 2.669 2.963 . 0 0 "[ . 1]" 1
93 1 107 ASP H 1 107 ASP HB2 . . 3.860 2.500 2.268 2.788 . 0 0 "[ . 1]" 1
94 1 107 ASP H 1 107 ASP QB . . 3.210 2.396 2.242 2.716 . 0 0 "[ . 1]" 1
95 1 107 ASP H 1 107 ASP HB3 . . 3.860 3.286 2.718 3.741 . 0 0 "[ . 1]" 1
96 1 107 ASP H 1 108 ALA H . . 3.600 2.492 2.156 2.682 . 0 0 "[ . 1]" 1
97 1 107 ASP H 1 109 GLU H . . 4.120 3.921 3.384 4.127 0.007 5 0 "[ . 1]" 1
98 1 107 ASP HA 1 108 ALA H . . 3.530 3.153 3.033 3.437 . 0 0 "[ . 1]" 1
99 1 108 ALA H 1 108 ALA MB . . 3.550 2.837 2.793 2.874 . 0 0 "[ . 1]" 1
100 1 108 ALA H 1 109 GLU H . . 3.830 2.874 2.695 3.040 . 0 0 "[ . 1]" 1
101 1 109 GLU H 1 109 GLU QB . . 3.560 2.187 2.085 2.265 . 0 0 "[ . 1]" 1
102 1 109 GLU H 1 109 GLU QG . . 3.980 3.493 2.690 3.984 0.004 4 0 "[ . 1]" 1
103 1 109 GLU H 1 159 VAL HB . . 4.040 3.760 2.686 4.047 0.007 6 0 "[ . 1]" 1
104 1 109 GLU HA 1 110 THR H . . 3.310 2.427 2.224 2.592 . 0 0 "[ . 1]" 1
105 1 109 GLU QB 1 110 THR H . . 3.580 2.729 2.027 3.569 . 0 0 "[ . 1]" 1
106 1 109 GLU HB2 1 110 THR H . . 4.380 3.852 3.506 4.127 . 0 0 "[ . 1]" 1
107 1 109 GLU HB3 1 110 THR H . . 4.380 2.848 2.039 4.048 . 0 0 "[ . 1]" 1
108 1 109 GLU QG 1 110 THR H . . 3.900 2.939 1.950 3.883 . 0 0 "[ . 1]" 1
109 1 109 GLU HG2 1 110 THR H . . 4.490 3.562 1.963 4.396 . 0 0 "[ . 1]" 1
110 1 109 GLU HG3 1 110 THR H . . 4.490 3.405 2.201 4.458 . 0 0 "[ . 1]" 1
111 1 110 THR H 1 110 THR HB . . 3.720 3.089 2.719 3.715 . 0 0 "[ . 1]" 1
112 1 110 THR H 1 110 THR MG . . 3.990 2.484 1.958 3.912 . 0 0 "[ . 1]" 1
113 1 110 THR HA 1 111 VAL H . . 3.350 2.384 2.200 2.574 . 0 0 "[ . 1]" 1
114 1 110 THR HB 1 111 VAL H . . 4.700 3.387 2.022 4.040 . 0 0 "[ . 1]" 1
115 1 110 THR MG 1 111 VAL H . . 3.970 3.343 2.300 3.936 . 0 0 "[ . 1]" 1
116 1 111 VAL H 1 111 VAL MG1 . . 3.840 3.152 2.804 3.376 . 0 0 "[ . 1]" 1
117 1 111 VAL H 1 111 VAL MG2 . . 3.840 2.221 2.009 2.408 . 0 0 "[ . 1]" 1
118 1 111 VAL H 1 157 PHE H . . 4.180 3.726 3.382 4.181 0.001 10 0 "[ . 1]" 1
119 1 111 VAL H 1 158 LYS H . . 5.500 5.054 4.573 5.462 . 0 0 "[ . 1]" 1
120 1 111 VAL HA 1 112 THR H . . 2.990 2.576 2.457 2.621 . 0 0 "[ . 1]" 1
121 1 111 VAL HB 1 112 THR H . . 2.890 2.022 1.953 2.253 . 0 0 "[ . 1]" 1
122 1 111 VAL QG 1 112 THR H . . 3.190 2.941 2.764 3.083 . 0 0 "[ . 1]" 1
123 1 111 VAL QG 1 157 PHE H . . 3.790 2.728 2.131 3.199 . 0 0 "[ . 1]" 1
124 1 111 VAL MG1 1 112 THR H . . 3.870 3.449 3.341 3.566 . 0 0 "[ . 1]" 1
125 1 111 VAL MG2 1 112 THR H . . 3.870 3.208 2.879 3.507 . 0 0 "[ . 1]" 1
126 1 112 THR H 1 112 THR HB . . 3.680 3.460 2.959 3.689 0.009 9 0 "[ . 1]" 1
127 1 112 THR H 1 112 THR MG . . 3.960 2.604 2.117 3.961 0.001 2 0 "[ . 1]" 1
128 1 112 THR H 1 113 GLY H . . 4.080 4.060 3.990 4.090 0.010 10 0 "[ . 1]" 1
129 1 112 THR H 1 113 GLY QA . . 4.550 4.285 4.234 4.350 . 0 0 "[ . 1]" 1
130 1 112 THR H 1 157 PHE H . . 4.990 4.648 4.311 4.995 0.005 6 0 "[ . 1]" 1
131 1 112 THR HA 1 112 THR MG . . 3.550 2.990 1.967 3.203 . 0 0 "[ . 1]" 1
132 1 112 THR HA 1 157 PHE QD . . 4.440 3.697 2.782 4.447 0.007 9 0 "[ . 1]" 1
133 1 112 THR HB 1 113 GLY H . . 4.850 4.161 3.583 4.272 . 0 0 "[ . 1]" 1
134 1 112 THR MG 1 113 GLY H . . 4.150 3.932 2.776 4.160 0.010 10 0 "[ . 1]" 1
135 1 113 GLY H 1 157 PHE H . . 4.520 3.995 2.989 4.525 0.005 6 0 "[ . 1]" 1
136 1 113 GLY H 1 157 PHE QD . . 4.110 3.259 2.186 4.113 0.003 7 0 "[ . 1]" 1
137 1 113 GLY H 1 157 PHE QE . . 4.150 3.107 2.181 4.145 . 0 0 "[ . 1]" 1
138 1 114 VAL H 1 114 VAL HB . . 3.990 2.928 2.613 3.786 . 0 0 "[ . 1]" 1
139 1 114 VAL H 1 114 VAL MG1 . . 3.800 2.258 1.951 3.842 0.042 10 0 "[ . 1]" 1
140 1 114 VAL H 1 114 VAL MG2 . . 3.800 3.568 2.151 3.883 0.083 1 0 "[ . 1]" 1
141 1 114 VAL H 1 115 ILE HA . . 5.500 5.243 5.127 5.356 . 0 0 "[ . 1]" 1
142 1 114 VAL H 1 125 VAL QG . . 3.690 2.952 2.599 3.205 . 0 0 "[ . 1]" 1
143 1 114 VAL H 1 126 GLU H . . 3.850 3.685 3.290 3.851 0.001 2 0 "[ . 1]" 1
144 1 114 VAL H 1 127 LEU QD . . 5.440 4.347 4.027 4.900 . 0 0 "[ . 1]" 1
145 1 114 VAL H 1 154 GLU HA . . 5.500 4.874 4.226 5.177 . 0 0 "[ . 1]" 1
146 1 114 VAL HA 1 126 GLU H . . 5.500 5.101 4.863 5.305 . 0 0 "[ . 1]" 1
147 1 114 VAL HB 1 115 ILE H . . 4.390 3.975 2.736 4.177 . 0 0 "[ . 1]" 1
148 1 114 VAL HB 1 155 LEU H . . 5.110 4.676 4.351 5.132 0.022 10 0 "[ . 1]" 1
149 1 114 VAL QG 1 115 ILE H . . 4.180 2.326 2.115 3.293 . 0 0 "[ . 1]" 1
150 1 114 VAL QG 1 125 VAL QG . . 4.460 3.405 3.244 3.602 . 0 0 "[ . 1]" 1
151 1 114 VAL QG 1 126 GLU H . . 4.510 3.837 3.355 4.510 . 0 0 "[ . 1]" 1
152 1 114 VAL QG 1 152 GLY H . . 3.860 3.760 3.445 3.891 0.031 6 0 "[ . 1]" 1
153 1 114 VAL QG 1 153 LYS H . . 3.870 3.564 2.524 3.881 0.011 6 0 "[ . 1]" 1
154 1 114 VAL QG 1 154 GLU H . . 5.090 3.440 3.075 3.814 . 0 0 "[ . 1]" 1
155 1 114 VAL QG 1 155 LEU H . . 4.000 3.780 2.521 4.022 0.022 1 0 "[ . 1]" 1
156 1 115 ILE H 1 115 ILE HG12 . . 4.280 3.774 3.681 3.841 . 0 0 "[ . 1]" 1
157 1 115 ILE H 1 115 ILE HG13 . . 3.990 2.607 2.236 2.833 . 0 0 "[ . 1]" 1
158 1 115 ILE H 1 125 VAL MG1 . . 4.480 3.310 2.979 3.570 . 0 0 "[ . 1]" 1
159 1 115 ILE H 1 125 VAL QG . . 3.910 3.081 2.827 3.290 . 0 0 "[ . 1]" 1
160 1 115 ILE H 1 125 VAL MG2 . . 4.480 3.687 3.503 3.853 . 0 0 "[ . 1]" 1
161 1 115 ILE H 1 152 GLY QA . . 4.420 4.408 4.281 4.430 0.010 1 0 "[ . 1]" 1
162 1 115 ILE H 1 154 GLU HA . . 4.650 3.938 3.394 4.669 0.019 6 0 "[ . 1]" 1
163 1 115 ILE H 1 155 LEU H . . 4.670 4.390 4.013 4.685 0.015 1 0 "[ . 1]" 1
164 1 115 ILE HA 1 117 GLY H . . 3.940 3.757 3.460 3.934 . 0 0 "[ . 1]" 1
165 1 115 ILE HA 1 125 VAL MG1 . . 4.440 2.892 2.760 3.025 . 0 0 "[ . 1]" 1
166 1 115 ILE HA 1 125 VAL QG . . 3.790 2.197 2.004 2.356 . 0 0 "[ . 1]" 1
167 1 115 ILE HA 1 125 VAL MG2 . . 4.440 2.285 2.034 2.463 . 0 0 "[ . 1]" 1
168 1 115 ILE HA 1 126 GLU H . . 4.570 3.761 3.517 4.045 . 0 0 "[ . 1]" 1
169 1 115 ILE HA 1 157 PHE HZ . . 5.060 5.012 4.512 5.079 0.019 3 0 "[ . 1]" 1
170 1 115 ILE HB 1 115 ILE MD . . 3.690 2.064 2.032 2.155 . 0 0 "[ . 1]" 1
171 1 115 ILE HB 1 117 GLY H . . 5.500 5.329 5.047 5.504 0.004 3 0 "[ . 1]" 1
172 1 115 ILE HB 1 153 LYS H . . 4.090 3.144 2.847 3.362 . 0 0 "[ . 1]" 1
173 1 115 ILE MD 1 153 LYS H . . 4.340 2.810 2.371 3.201 . 0 0 "[ . 1]" 1
174 1 115 ILE MD 1 154 GLU H . . 5.100 4.636 4.352 5.128 0.028 6 0 "[ . 1]" 1
175 1 115 ILE MD 1 155 LEU H . . 4.570 3.801 3.436 4.564 . 0 0 "[ . 1]" 1
176 1 115 ILE MD 1 157 PHE QE . . 3.930 3.798 3.449 3.946 0.016 3 0 "[ . 1]" 1
177 1 115 ILE MD 1 157 PHE HZ . . 3.890 2.991 2.324 3.585 . 0 0 "[ . 1]" 1
178 1 115 ILE HG13 1 125 VAL QG . . 3.920 1.963 1.861 2.256 . 0 0 "[ . 1]" 1
179 1 115 ILE HG13 1 157 PHE QE . . 4.940 4.158 3.715 4.457 . 0 0 "[ . 1]" 1
180 1 115 ILE HG13 1 157 PHE HZ . . 3.690 3.186 2.874 3.438 . 0 0 "[ . 1]" 1
181 1 115 ILE MG 1 116 ASN H . . 3.920 2.866 2.526 3.240 . 0 0 "[ . 1]" 1
182 1 115 ILE MG 1 116 ASN HA . . 4.250 3.971 3.812 4.148 . 0 0 "[ . 1]" 1
183 1 115 ILE MG 1 117 GLY H . . 3.030 2.829 2.485 3.031 0.001 1 0 "[ . 1]" 1
184 1 115 ILE MG 1 118 LYS H . . 4.540 4.398 4.213 4.543 0.003 9 0 "[ . 1]" 1
185 1 115 ILE MG 1 123 PHE H . . 5.500 5.494 5.378 5.512 0.012 3 0 "[ . 1]" 1
186 1 115 ILE MG 1 123 PHE HA . . 4.470 3.592 3.498 3.727 . 0 0 "[ . 1]" 1
187 1 115 ILE MG 1 123 PHE QD . . 3.160 2.003 1.902 2.121 . 0 0 "[ . 1]" 1
188 1 115 ILE MG 1 123 PHE QE . . 3.330 3.205 2.907 3.333 0.003 4 0 "[ . 1]" 1
189 1 115 ILE MG 1 153 LYS H . . 4.360 4.341 4.253 4.376 0.016 1 0 "[ . 1]" 1
190 1 116 ASN H 1 117 GLY H . . 3.250 2.267 2.183 2.548 . 0 0 "[ . 1]" 1
191 1 116 ASN H 1 117 GLY QA . . 4.930 4.303 4.222 4.533 . 0 0 "[ . 1]" 1
192 1 116 ASN H 1 124 THR MG . . 5.500 5.096 4.632 5.516 0.016 9 0 "[ . 1]" 1
193 1 116 ASN H 1 125 VAL HA . . 3.740 2.389 2.026 2.534 . 0 0 "[ . 1]" 1
194 1 116 ASN H 1 125 VAL HB . . 5.500 5.383 5.043 5.504 0.004 6 0 "[ . 1]" 1
195 1 116 ASN H 1 125 VAL QG . . 4.360 3.344 3.160 3.505 . 0 0 "[ . 1]" 1
196 1 116 ASN HB2 1 117 GLY H . . 4.050 3.488 2.701 3.903 . 0 0 "[ . 1]" 1
197 1 116 ASN HB3 1 117 GLY H . . 4.050 2.892 2.512 3.639 . 0 0 "[ . 1]" 1
198 1 116 ASN QD 1 126 GLU QB . . 3.520 3.086 2.551 3.318 . 0 0 "[ . 1]" 1
199 1 116 ASN QD 1 126 GLU QG . . 4.760 4.274 3.629 4.695 . 0 0 "[ . 1]" 1
200 1 117 GLY H 1 118 LYS H . . 4.490 4.457 4.404 4.487 . 0 0 "[ . 1]" 1
201 1 117 GLY H 1 123 PHE QD . . 5.190 5.194 5.188 5.201 0.011 1 0 "[ . 1]" 1
202 1 117 GLY H 1 124 THR H . . 4.090 3.941 3.685 4.107 0.017 6 0 "[ . 1]" 1
203 1 117 GLY H 1 124 THR HB . . 4.000 2.989 2.612 4.031 0.031 9 0 "[ . 1]" 1
204 1 117 GLY H 1 124 THR MG . . 4.250 4.197 4.069 4.265 0.015 1 0 "[ . 1]" 1
205 1 117 GLY H 1 125 VAL QG . . 4.430 4.429 4.382 4.473 0.043 3 0 "[ . 1]" 1
206 1 117 GLY QA 1 118 LYS H . . 2.840 2.169 2.148 2.210 . 0 0 "[ . 1]" 1
207 1 117 GLY QA 1 124 THR H . . 4.420 4.033 3.850 4.420 0.000 3 0 "[ . 1]" 1
208 1 117 GLY HA2 1 118 LYS H . . 3.440 2.229 2.196 2.298 . 0 0 "[ . 1]" 1
209 1 117 GLY HA3 1 118 LYS H . . 3.440 2.980 2.870 3.039 . 0 0 "[ . 1]" 1
210 1 118 LYS H 1 118 LYS HB2 . . 3.770 3.780 3.760 3.803 0.033 3 0 "[ . 1]" 1
211 1 118 LYS H 1 118 LYS HB3 . . 3.770 3.151 3.084 3.204 . 0 0 "[ . 1]" 1
212 1 118 LYS H 1 118 LYS HG2 . . 4.100 2.150 2.068 2.462 . 0 0 "[ . 1]" 1
213 1 118 LYS H 1 118 LYS QG . . 3.590 2.120 2.042 2.434 . 0 0 "[ . 1]" 1
214 1 118 LYS H 1 118 LYS HG3 . . 4.100 3.244 3.017 3.816 . 0 0 "[ . 1]" 1
215 1 118 LYS H 1 119 VAL H . . 4.430 4.350 4.281 4.453 0.023 3 0 "[ . 1]" 1
216 1 118 LYS H 1 119 VAL MG1 . . 4.320 4.233 4.101 4.343 0.023 3 0 "[ . 1]" 1
217 1 118 LYS H 1 123 PHE QD . . 4.850 4.792 4.676 4.855 0.005 9 0 "[ . 1]" 1
218 1 118 LYS HA 1 119 VAL H . . 2.980 2.170 2.143 2.257 . 0 0 "[ . 1]" 1
219 1 118 LYS HA 1 123 PHE HA . . 3.960 2.402 2.196 2.502 . 0 0 "[ . 1]" 1
220 1 118 LYS HA 1 124 THR H . . 4.420 2.793 2.619 3.017 . 0 0 "[ . 1]" 1
221 1 118 LYS QB 1 119 VAL H . . 4.050 3.109 2.779 3.269 . 0 0 "[ . 1]" 1
222 1 118 LYS QB 1 123 PHE HA . . 4.480 3.694 3.123 3.951 . 0 0 "[ . 1]" 1
223 1 118 LYS QB 1 123 PHE QD . . 4.030 2.509 2.272 2.645 . 0 0 "[ . 1]" 1
224 1 118 LYS QB 1 123 PHE QE . . 3.820 1.935 1.886 2.052 . 0 0 "[ . 1]" 1
225 1 118 LYS HB2 1 119 VAL H . . 4.690 3.212 2.833 3.395 . 0 0 "[ . 1]" 1
226 1 118 LYS HB2 1 123 PHE QE . . 4.460 2.432 2.241 2.820 . 0 0 "[ . 1]" 1
227 1 118 LYS HB3 1 119 VAL H . . 4.690 4.155 4.014 4.266 . 0 0 "[ . 1]" 1
228 1 118 LYS HB3 1 123 PHE QE . . 4.460 2.042 1.999 2.108 . 0 0 "[ . 1]" 1
229 1 118 LYS QG 1 119 VAL H . . 4.180 4.119 3.784 4.186 0.006 9 0 "[ . 1]" 1
230 1 118 LYS QG 1 123 PHE QD . . 5.130 4.538 4.361 4.634 . 0 0 "[ . 1]" 1
231 1 118 LYS QG 1 123 PHE QE . . 3.920 3.782 3.367 3.879 . 0 0 "[ . 1]" 1
232 1 118 LYS HG2 1 123 PHE QE . . 4.670 4.302 4.159 4.514 . 0 0 "[ . 1]" 1
233 1 118 LYS HG3 1 123 PHE QE . . 4.670 4.236 3.474 4.413 . 0 0 "[ . 1]" 1
234 1 119 VAL H 1 119 VAL MG1 . . 3.600 2.851 2.701 2.937 . 0 0 "[ . 1]" 1
235 1 119 VAL H 1 119 VAL MG2 . . 3.260 1.929 1.903 2.071 . 0 0 "[ . 1]" 1
236 1 119 VAL H 1 122 GLY H . . 4.370 4.112 4.045 4.189 . 0 0 "[ . 1]" 1
237 1 119 VAL H 1 123 PHE HA . . 3.490 2.639 2.466 2.732 . 0 0 "[ . 1]" 1
238 1 119 VAL H 1 124 THR H . . 4.350 3.704 3.408 4.252 . 0 0 "[ . 1]" 1
239 1 119 VAL HA 1 120 LYS H . . 3.360 2.548 2.543 2.554 . 0 0 "[ . 1]" 1
240 1 119 VAL HB 1 120 LYS H . . 3.560 2.070 2.061 2.075 . 0 0 "[ . 1]" 1
241 1 119 VAL MG1 1 120 LYS H . . 4.190 3.488 3.472 3.516 . 0 0 "[ . 1]" 1
242 1 119 VAL MG1 1 122 GLY H . . 4.980 4.735 4.726 4.755 . 0 0 "[ . 1]" 1
243 1 119 VAL MG1 1 123 PHE H . . 5.310 5.182 5.099 5.242 . 0 0 "[ . 1]" 1
244 1 119 VAL MG1 1 123 PHE HA . . 4.300 4.299 4.248 4.318 0.018 8 0 "[ . 1]" 1
245 1 119 VAL MG1 1 124 THR H . . 4.830 4.036 3.790 4.825 . 0 0 "[ . 1]" 1
246 1 119 VAL MG1 1 133 PHE QE . . 3.590 3.370 3.091 3.593 0.003 10 0 "[ . 1]" 1
247 1 119 VAL MG1 1 133 PHE HZ . . 3.740 3.725 3.552 3.761 0.021 1 0 "[ . 1]" 1
248 1 119 VAL MG2 1 120 LYS H . . 3.870 3.209 3.176 3.237 . 0 0 "[ . 1]" 1
249 1 119 VAL MG2 1 122 GLY H . . 3.650 1.909 1.896 1.918 . 0 0 "[ . 1]" 1
250 1 119 VAL MG2 1 123 PHE H . . 4.630 3.214 3.190 3.231 . 0 0 "[ . 1]" 1
251 1 119 VAL MG2 1 123 PHE HA . . 3.970 2.947 2.884 3.009 . 0 0 "[ . 1]" 1
252 1 119 VAL MG2 1 124 THR H . . 4.470 3.699 3.493 4.476 0.006 3 0 "[ . 1]" 1
253 1 119 VAL MG2 1 133 PHE QE . . 3.170 2.873 2.744 2.983 . 0 0 "[ . 1]" 1
254 1 119 VAL MG2 1 133 PHE HZ . . 3.780 2.161 1.980 2.336 . 0 0 "[ . 1]" 1
255 1 120 LYS H 1 120 LYS HB2 . . 3.930 2.383 2.258 2.619 . 0 0 "[ . 1]" 1
256 1 120 LYS H 1 120 LYS QB . . 3.230 2.278 2.172 2.409 . 0 0 "[ . 1]" 1
257 1 120 LYS H 1 120 LYS HB3 . . 3.930 3.126 2.440 3.585 . 0 0 "[ . 1]" 1
258 1 120 LYS H 1 121 GLY H . . 4.370 4.245 4.213 4.271 . 0 0 "[ . 1]" 1
259 1 120 LYS H 1 122 GLY H . . 4.360 3.962 3.949 3.993 . 0 0 "[ . 1]" 1
260 1 120 LYS HA 1 121 GLY H . . 3.310 2.211 2.198 2.228 . 0 0 "[ . 1]" 1
261 1 120 LYS HA 1 122 GLY H . . 4.320 4.036 4.011 4.065 . 0 0 "[ . 1]" 1
262 1 120 LYS HB2 1 121 GLY H . . 5.470 4.541 4.479 4.613 . 0 0 "[ . 1]" 1
263 1 120 LYS HB3 1 121 GLY H . . 5.470 4.147 3.891 4.479 . 0 0 "[ . 1]" 1
264 1 121 GLY H 1 122 GLY H . . 3.670 3.048 3.024 3.079 . 0 0 "[ . 1]" 1
265 1 121 GLY QA 1 122 GLY H . . 3.120 2.761 2.752 2.766 . 0 0 "[ . 1]" 1
266 1 122 GLY H 1 133 PHE QE . . 4.500 4.303 4.025 4.512 0.012 3 0 "[ . 1]" 1
267 1 122 GLY H 1 133 PHE HZ . . 4.460 4.349 4.076 4.479 0.019 9 0 "[ . 1]" 1
268 1 122 GLY H 1 136 GLY H . . 5.500 5.329 5.058 5.527 0.027 3 0 "[ . 1]" 1
269 1 122 GLY H 1 136 GLY QA . . 5.230 4.870 4.502 5.236 0.006 10 0 "[ . 1]" 1
270 1 122 GLY QA 1 133 PHE QE . . 4.360 2.332 2.079 2.653 . 0 0 "[ . 1]" 1
271 1 123 PHE H 1 123 PHE QB . . 3.580 2.655 2.516 2.722 . 0 0 "[ . 1]" 1
272 1 123 PHE H 1 123 PHE QD . . 3.980 3.934 3.776 4.001 0.021 6 0 "[ . 1]" 1
273 1 123 PHE H 1 133 PHE QE . . 4.130 3.638 3.087 4.126 . 0 0 "[ . 1]" 1
274 1 123 PHE HA 1 123 PHE QD . . 3.690 2.563 2.474 2.646 . 0 0 "[ . 1]" 1
275 1 123 PHE HA 1 123 PHE QE . . 4.330 4.342 4.298 4.373 0.043 4 0 "[ . 1]" 1
276 1 123 PHE HA 1 124 THR H . . 3.460 2.167 2.137 2.410 . 0 0 "[ . 1]" 1
277 1 123 PHE HA 1 134 LEU QD . . 5.440 4.512 3.730 4.990 . 0 0 "[ . 1]" 1
278 1 123 PHE QB 1 124 THR H . . 3.840 3.322 2.470 3.449 . 0 0 "[ . 1]" 1
279 1 123 PHE QB 1 134 LEU H . . 4.500 3.310 3.049 3.699 . 0 0 "[ . 1]" 1
280 1 123 PHE HB2 1 124 THR H . . 4.580 4.411 3.886 4.488 . 0 0 "[ . 1]" 1
281 1 123 PHE HB3 1 124 THR H . . 4.580 3.442 2.499 3.584 . 0 0 "[ . 1]" 1
282 1 123 PHE QD 1 124 THR H . . 4.230 3.369 2.670 3.533 . 0 0 "[ . 1]" 1
283 1 123 PHE QD 1 125 VAL QG . . 5.010 4.577 4.437 4.705 . 0 0 "[ . 1]" 1
284 1 123 PHE QD 1 134 LEU QD . . 4.180 3.712 3.165 4.202 0.022 9 0 "[ . 1]" 1
285 1 123 PHE QD 1 139 VAL MG1 . . 4.390 2.851 2.175 3.638 . 0 0 "[ . 1]" 1
286 1 123 PHE QD 1 139 VAL QG . . 3.290 2.274 1.902 2.898 . 0 0 "[ . 1]" 1
287 1 123 PHE QD 1 139 VAL MG2 . . 4.390 2.671 1.908 4.436 0.046 9 0 "[ . 1]" 1
288 1 123 PHE QE 1 139 VAL HB . . 4.770 3.963 2.012 4.773 0.003 3 0 "[ . 1]" 1
289 1 123 PHE QE 1 139 VAL MG1 . . 3.570 2.040 1.895 2.382 . 0 0 "[ . 1]" 1
290 1 123 PHE QE 1 139 VAL MG2 . . 3.570 3.110 2.278 3.670 0.100 9 0 "[ . 1]" 1
291 1 123 PHE QE 1 150 LEU QB . . 5.030 3.150 2.630 3.837 . 0 0 "[ . 1]" 1
292 1 123 PHE QE 1 150 LEU MD1 . . 4.900 3.589 2.352 4.491 . 0 0 "[ . 1]" 1
293 1 123 PHE QE 1 150 LEU QD . . 4.280 2.981 2.281 3.867 . 0 0 "[ . 1]" 1
294 1 123 PHE QE 1 150 LEU MD2 . . 4.900 3.326 2.521 4.219 . 0 0 "[ . 1]" 1
295 1 123 PHE HZ 1 139 VAL QG . . 4.870 3.632 3.364 3.956 . 0 0 "[ . 1]" 1
296 1 123 PHE HZ 1 150 LEU HA . . 4.860 4.435 3.701 4.866 0.006 6 0 "[ . 1]" 1
297 1 123 PHE HZ 1 150 LEU QB . . 4.060 2.468 1.984 3.052 . 0 0 "[ . 1]" 1
298 1 123 PHE HZ 1 150 LEU MD1 . . 3.620 3.154 2.173 3.623 0.003 9 0 "[ . 1]" 1
299 1 123 PHE HZ 1 150 LEU MD2 . . 3.620 3.126 1.984 3.623 0.003 1 0 "[ . 1]" 1
300 1 124 THR H 1 124 THR MG . . 4.170 3.405 2.299 3.972 . 0 0 "[ . 1]" 1
301 1 124 THR H 1 134 LEU QD . . 5.270 4.672 3.185 5.271 0.001 1 0 "[ . 1]" 1
302 1 124 THR HA 1 124 THR MG . . 3.690 2.195 2.002 2.365 . 0 0 "[ . 1]" 1
303 1 124 THR HA 1 125 VAL H . . 3.190 2.260 2.182 2.283 . 0 0 "[ . 1]" 1
304 1 124 THR HA 1 133 PHE HA . . 3.960 2.762 2.579 3.113 . 0 0 "[ . 1]" 1
305 1 124 THR HA 1 134 LEU H . . 4.370 3.765 3.330 4.226 . 0 0 "[ . 1]" 1
306 1 124 THR HB 1 125 VAL H . . 4.560 3.259 2.722 3.546 . 0 0 "[ . 1]" 1
307 1 124 THR MG 1 133 PHE HA . . 4.320 3.640 3.123 3.998 . 0 0 "[ . 1]" 1
308 1 124 THR MG 1 133 PHE QB . . 4.320 4.133 3.772 4.339 0.019 4 0 "[ . 1]" 1
309 1 124 THR MG 1 133 PHE QD . . 4.100 3.192 2.491 3.570 . 0 0 "[ . 1]" 1
310 1 124 THR MG 1 133 PHE QE . . 4.500 3.905 3.085 4.504 0.004 3 0 "[ . 1]" 1
311 1 125 VAL H 1 125 VAL HB . . 3.650 2.881 2.815 2.941 . 0 0 "[ . 1]" 1
312 1 125 VAL H 1 125 VAL MG1 . . 3.970 3.951 3.916 3.971 0.001 6 0 "[ . 1]" 1
313 1 125 VAL H 1 125 VAL QG . . 3.370 2.800 2.718 2.932 . 0 0 "[ . 1]" 1
314 1 125 VAL H 1 125 VAL MG2 . . 3.970 2.865 2.769 3.028 . 0 0 "[ . 1]" 1
315 1 125 VAL H 1 132 ALA H . . 4.180 2.599 2.389 3.024 . 0 0 "[ . 1]" 1
316 1 125 VAL H 1 132 ALA HA . . 4.580 4.517 4.427 4.604 0.024 9 0 "[ . 1]" 1
317 1 125 VAL H 1 132 ALA MB . . 4.510 3.095 2.919 3.280 . 0 0 "[ . 1]" 1
318 1 125 VAL H 1 134 LEU QD . . 4.830 4.161 3.401 4.607 . 0 0 "[ . 1]" 1
319 1 125 VAL HA 1 126 GLU H . . 3.560 2.228 2.166 2.331 . 0 0 "[ . 1]" 1
320 1 125 VAL HB 1 132 ALA H . . 4.200 3.324 3.039 3.713 . 0 0 "[ . 1]" 1
321 1 125 VAL HB 1 171 VAL QG . . 4.060 3.941 3.572 4.094 0.034 4 0 "[ . 1]" 1
322 1 125 VAL QG 1 126 GLU H . . 3.600 2.041 1.957 2.232 . 0 0 "[ . 1]" 1
323 1 125 VAL QG 1 126 GLU QB . . 4.040 3.666 3.628 3.691 . 0 0 "[ . 1]" 1
324 1 125 VAL QG 1 127 LEU QD . . 3.020 2.426 1.903 3.034 0.014 9 0 "[ . 1]" 1
325 1 125 VAL QG 1 127 LEU HG . . 3.900 2.750 2.310 3.602 . 0 0 "[ . 1]" 1
326 1 125 VAL QG 1 132 ALA H . . 5.070 3.860 3.685 4.102 . 0 0 "[ . 1]" 1
327 1 125 VAL QG 1 132 ALA MB . . 4.090 2.637 2.371 2.867 . 0 0 "[ . 1]" 1
328 1 125 VAL QG 1 134 LEU H . . 3.960 3.941 3.733 3.988 0.028 3 0 "[ . 1]" 1
329 1 125 VAL QG 1 134 LEU QD . . 4.860 1.811 1.698 2.050 . 0 0 "[ . 1]" 1
330 1 125 VAL QG 1 157 PHE QD . . 4.080 3.355 2.916 3.762 . 0 0 "[ . 1]" 1
331 1 125 VAL QG 1 157 PHE QE . . 3.550 2.024 1.749 2.330 . 0 0 "[ . 1]" 1
332 1 125 VAL MG1 1 126 GLU H . . 4.480 2.047 1.962 2.241 . 0 0 "[ . 1]" 1
333 1 125 VAL MG1 1 157 PHE QE . . 4.050 2.099 1.882 2.421 . 0 0 "[ . 1]" 1
334 1 125 VAL MG1 1 157 PHE HZ . . 4.090 2.817 1.946 3.416 . 0 0 "[ . 1]" 1
335 1 125 VAL MG2 1 126 GLU H . . 4.480 4.011 3.942 4.092 . 0 0 "[ . 1]" 1
336 1 125 VAL MG2 1 157 PHE QE . . 4.050 2.758 1.947 3.089 . 0 0 "[ . 1]" 1
337 1 125 VAL MG2 1 157 PHE HZ . . 4.090 2.304 1.974 2.709 . 0 0 "[ . 1]" 1
338 1 126 GLU H 1 126 GLU QB . . 3.450 2.349 2.260 2.439 . 0 0 "[ . 1]" 1
339 1 126 GLU H 1 126 GLU HG2 . . 5.380 4.462 4.350 4.619 . 0 0 "[ . 1]" 1
340 1 126 GLU H 1 126 GLU QG . . 4.610 4.015 3.942 4.062 . 0 0 "[ . 1]" 1
341 1 126 GLU H 1 126 GLU HG3 . . 5.380 4.563 4.398 4.686 . 0 0 "[ . 1]" 1
342 1 126 GLU H 1 132 ALA MB . . 5.000 4.878 4.753 5.002 0.002 4 0 "[ . 1]" 1
343 1 126 GLU HA 1 127 LEU H . . 3.380 2.167 2.142 2.192 . 0 0 "[ . 1]" 1
344 1 126 GLU HA 1 130 ILE H . . 4.990 4.889 4.743 5.018 0.028 9 0 "[ . 1]" 1
345 1 126 GLU QG 1 128 ASN H . . 4.790 3.171 2.924 3.522 . 0 0 "[ . 1]" 1
346 1 126 GLU QG 1 129 GLY H . . 3.410 2.341 2.027 2.488 . 0 0 "[ . 1]" 1
347 1 126 GLU QG 1 130 ILE H . . 4.820 4.177 4.015 4.320 . 0 0 "[ . 1]" 1
348 1 126 GLU HG2 1 130 ILE H . . 5.500 4.670 4.234 5.248 . 0 0 "[ . 1]" 1
349 1 126 GLU HG3 1 130 ILE H . . 5.500 4.812 4.382 5.174 . 0 0 "[ . 1]" 1
350 1 127 LEU H 1 127 LEU HB2 . . 4.020 2.516 2.188 2.739 . 0 0 "[ . 1]" 1
351 1 127 LEU H 1 127 LEU QB . . 3.530 2.473 2.166 2.682 . 0 0 "[ . 1]" 1
352 1 127 LEU H 1 127 LEU HB3 . . 4.020 3.671 3.461 3.834 . 0 0 "[ . 1]" 1
353 1 127 LEU H 1 127 LEU MD1 . . 4.810 3.799 3.507 4.147 . 0 0 "[ . 1]" 1
354 1 127 LEU H 1 127 LEU QD . . 4.050 3.406 3.052 3.654 . 0 0 "[ . 1]" 1
355 1 127 LEU H 1 127 LEU MD2 . . 4.810 3.890 3.252 4.140 . 0 0 "[ . 1]" 1
356 1 127 LEU H 1 127 LEU HG . . 4.470 2.898 2.232 3.325 . 0 0 "[ . 1]" 1
357 1 127 LEU H 1 130 ILE H . . 3.640 3.462 3.192 3.661 0.021 9 0 "[ . 1]" 1
358 1 127 LEU HA 1 127 LEU QD . . 3.850 2.103 1.990 2.303 . 0 0 "[ . 1]" 1
359 1 127 LEU HA 1 128 ASN H . . 2.740 2.330 2.208 2.411 . 0 0 "[ . 1]" 1
360 1 127 LEU HA 1 129 GLY H . . 4.620 4.443 3.852 4.626 0.006 10 0 "[ . 1]" 1
361 1 127 LEU QB 1 127 LEU QD . . 2.730 1.910 1.870 1.945 . 0 0 "[ . 1]" 1
362 1 127 LEU QB 1 128 ASN H . . 3.970 3.802 3.650 3.871 . 0 0 "[ . 1]" 1
363 1 127 LEU QB 1 128 ASN QD . . 3.890 3.065 2.668 3.594 . 0 0 "[ . 1]" 1
364 1 127 LEU QB 1 130 ILE H . . 3.830 3.545 3.308 3.833 0.003 1 0 "[ . 1]" 1
365 1 127 LEU HB2 1 128 ASN H . . 4.660 4.470 4.373 4.593 . 0 0 "[ . 1]" 1
366 1 127 LEU HB3 1 128 ASN H . . 4.660 4.118 3.905 4.208 . 0 0 "[ . 1]" 1
367 1 127 LEU QD 1 128 ASN H . . 4.030 3.993 3.689 4.042 0.012 6 0 "[ . 1]" 1
368 1 127 LEU QD 1 128 ASN QD . . 4.600 3.554 2.567 4.300 . 0 0 "[ . 1]" 1
369 1 127 LEU QD 1 132 ALA H . . 5.000 3.765 3.497 4.241 . 0 0 "[ . 1]" 1
370 1 127 LEU QD 1 132 ALA HA . . 5.220 3.750 3.245 4.207 . 0 0 "[ . 1]" 1
371 1 127 LEU QD 1 157 PHE QE . . 4.870 3.152 2.090 3.914 . 0 0 "[ . 1]" 1
372 1 127 LEU HG 1 128 ASN H . . 5.250 5.109 4.996 5.261 0.011 6 0 "[ . 1]" 1
373 1 127 LEU HG 1 132 ALA H . . 4.400 4.059 3.316 4.404 0.004 10 0 "[ . 1]" 1
374 1 128 ASN H 1 128 ASN HA . . 2.710 2.279 2.274 2.295 . 0 0 "[ . 1]" 1
375 1 128 ASN H 1 128 ASN HB2 . . 3.950 3.748 3.666 3.973 0.023 9 0 "[ . 1]" 1
376 1 128 ASN H 1 128 ASN HB3 . . 3.950 3.849 2.989 3.958 0.008 1 0 "[ . 1]" 1
377 1 128 ASN H 1 128 ASN QD . . 4.330 3.742 3.154 4.069 . 0 0 "[ . 1]" 1
378 1 128 ASN H 1 129 GLY H . . 3.920 2.833 2.612 3.037 . 0 0 "[ . 1]" 1
379 1 128 ASN HA 1 130 ILE H . . 4.510 4.387 4.221 4.454 . 0 0 "[ . 1]" 1
380 1 128 ASN QB 1 128 ASN QD . . 3.070 2.092 2.064 2.173 . 0 0 "[ . 1]" 1
381 1 128 ASN QB 1 129 GLY H . . 4.220 3.905 3.778 4.033 . 0 0 "[ . 1]" 1
382 1 129 GLY H 1 130 ILE H . . 3.730 2.847 2.649 3.003 . 0 0 "[ . 1]" 1
383 1 130 ILE H 1 130 ILE HB . . 3.250 2.622 2.509 2.690 . 0 0 "[ . 1]" 1
384 1 130 ILE H 1 130 ILE MD . . 4.470 3.328 2.973 3.700 . 0 0 "[ . 1]" 1
385 1 130 ILE H 1 130 ILE HG12 . . 4.100 2.673 1.947 3.693 . 0 0 "[ . 1]" 1
386 1 130 ILE H 1 130 ILE QG . . 3.330 2.029 1.938 2.273 . 0 0 "[ . 1]" 1
387 1 130 ILE H 1 130 ILE HG13 . . 4.100 2.816 1.985 3.538 . 0 0 "[ . 1]" 1
388 1 130 ILE H 1 130 ILE MG . . 3.940 3.778 3.769 3.793 . 0 0 "[ . 1]" 1
389 1 130 ILE HA 1 130 ILE MD . . 4.050 2.967 1.995 3.884 . 0 0 "[ . 1]" 1
390 1 130 ILE HA 1 130 ILE MG . . 3.220 2.279 2.231 2.391 . 0 0 "[ . 1]" 1
391 1 130 ILE HA 1 131 ARG H . . 3.400 2.278 2.230 2.329 . 0 0 "[ . 1]" 1
392 1 130 ILE HB 1 131 ARG H . . 4.170 3.722 3.539 3.932 . 0 0 "[ . 1]" 1
393 1 130 ILE MD 1 130 ILE MG . . 3.180 2.019 1.914 2.241 . 0 0 "[ . 1]" 1
394 1 130 ILE MG 1 131 ARG H . . 3.900 2.102 1.992 2.241 . 0 0 "[ . 1]" 1
395 1 130 ILE MG 1 132 ALA H . . 5.420 4.166 3.831 4.488 . 0 0 "[ . 1]" 1
396 1 130 ILE MG 1 132 ALA HA . . 5.500 3.970 3.717 4.164 . 0 0 "[ . 1]" 1
397 1 131 ARG H 1 131 ARG QB . . 3.520 2.406 2.245 2.874 . 0 0 "[ . 1]" 1
398 1 131 ARG H 1 131 ARG QG . . 4.340 3.412 1.962 4.078 . 0 0 "[ . 1]" 1
399 1 131 ARG HA 1 132 ALA H . . 3.450 2.148 2.140 2.166 . 0 0 "[ . 1]" 1
400 1 131 ARG QG 1 132 ALA H . . 4.220 3.811 3.244 4.092 . 0 0 "[ . 1]" 1
401 1 132 ALA MB 1 133 PHE H . . 3.310 2.426 2.308 2.614 . 0 0 "[ . 1]" 1
402 1 132 ALA MB 1 134 LEU H . . 4.760 4.578 4.229 4.768 0.008 4 0 "[ . 1]" 1
403 1 132 ALA MB 1 157 PHE QE . . 5.330 4.226 3.258 4.959 . 0 0 "[ . 1]" 1
404 1 132 ALA MB 1 170 VAL HA . . 4.810 3.698 3.377 4.051 . 0 0 "[ . 1]" 1
405 1 132 ALA MB 1 171 VAL H . . 4.140 3.995 3.804 4.157 0.017 1 0 "[ . 1]" 1
406 1 133 PHE H 1 133 PHE QB . . 3.630 2.698 2.631 2.744 . 0 0 "[ . 1]" 1
407 1 133 PHE H 1 133 PHE QD . . 4.570 4.441 4.387 4.470 . 0 0 "[ . 1]" 1
408 1 133 PHE H 1 134 LEU H . . 4.420 4.135 3.920 4.273 . 0 0 "[ . 1]" 1
409 1 133 PHE H 1 134 LEU QD . . 4.340 3.580 3.015 4.359 0.019 9 0 "[ . 1]" 1
410 1 133 PHE H 1 169 VAL QG . . 4.290 4.184 3.988 4.304 0.014 3 0 "[ . 1]" 1
411 1 133 PHE H 1 170 VAL HA . . 4.520 2.251 1.949 2.689 . 0 0 "[ . 1]" 1
412 1 133 PHE H 1 170 VAL QG . . 4.380 3.524 3.299 3.859 . 0 0 "[ . 1]" 1
413 1 133 PHE H 1 171 VAL H . . 4.280 2.812 2.608 2.954 . 0 0 "[ . 1]" 1
414 1 133 PHE H 1 171 VAL HB . . 5.500 5.106 3.818 5.508 0.008 10 0 "[ . 1]" 1
415 1 133 PHE H 1 171 VAL MG1 . . 4.750 3.755 3.226 4.765 0.015 1 0 "[ . 1]" 1
416 1 133 PHE H 1 171 VAL MG2 . . 4.750 2.591 1.984 3.029 . 0 0 "[ . 1]" 1
417 1 133 PHE HA 1 133 PHE QD . . 3.210 3.035 3.012 3.063 . 0 0 "[ . 1]" 1
418 1 133 PHE HA 1 134 LEU H . . 3.250 2.147 2.140 2.158 . 0 0 "[ . 1]" 1
419 1 133 PHE HA 1 170 VAL HB . . 5.500 5.456 5.213 5.550 0.050 4 0 "[ . 1]" 1
420 1 133 PHE HA 1 170 VAL QG . . 5.160 4.574 4.190 4.875 . 0 0 "[ . 1]" 1
421 1 133 PHE QB 1 170 VAL HA . . 4.370 2.943 2.328 3.196 . 0 0 "[ . 1]" 1
422 1 133 PHE QB 1 170 VAL QG . . 4.000 2.230 1.944 2.488 . 0 0 "[ . 1]" 1
423 1 133 PHE QD 1 134 LEU H . . 3.820 3.250 2.696 3.616 . 0 0 "[ . 1]" 1
424 1 133 PHE QD 1 135 PRO HA . . 4.240 3.819 3.617 4.155 . 0 0 "[ . 1]" 1
425 1 133 PHE QD 1 170 VAL HA . . 5.240 5.031 4.448 5.249 0.009 6 0 "[ . 1]" 1
426 1 133 PHE QD 1 170 VAL HB . . 4.960 4.615 4.475 4.832 . 0 0 "[ . 1]" 1
427 1 133 PHE QD 1 170 VAL QG . . 4.040 3.736 3.206 3.977 . 0 0 "[ . 1]" 1
428 1 133 PHE QE 1 135 PRO HA . . 4.030 3.880 3.352 4.046 0.016 1 0 "[ . 1]" 1
429 1 134 LEU H 1 134 LEU MD1 . . 4.250 3.047 2.436 3.814 . 0 0 "[ . 1]" 1
430 1 134 LEU H 1 134 LEU QD . . 3.660 2.649 1.914 3.416 . 0 0 "[ . 1]" 1
431 1 134 LEU H 1 134 LEU MD2 . . 4.250 3.639 1.943 4.268 0.018 1 0 "[ . 1]" 1
432 1 134 LEU H 1 171 VAL QG . . 3.980 3.882 3.553 4.026 0.046 3 0 "[ . 1]" 1
433 1 134 LEU HA 1 171 VAL H . . 4.440 3.972 3.668 4.472 0.032 9 0 "[ . 1]" 1
434 1 134 LEU HA 1 171 VAL QG . . 4.280 2.733 1.953 3.499 . 0 0 "[ . 1]" 1
435 1 134 LEU QD 1 157 PHE QD . . 4.120 2.940 2.161 3.670 . 0 0 "[ . 1]" 1
436 1 134 LEU QD 1 157 PHE QE . . 3.370 2.143 1.783 2.785 . 0 0 "[ . 1]" 1
437 1 134 LEU QD 1 157 PHE HZ . . 3.400 2.655 2.211 3.255 . 0 0 "[ . 1]" 1
438 1 134 LEU QD 1 171 VAL H . . 4.080 3.951 3.676 4.104 0.024 10 0 "[ . 1]" 1
439 1 134 LEU QD 1 171 VAL QG . . 3.360 1.830 1.714 1.984 . 0 0 "[ . 1]" 1
440 1 134 LEU MD1 1 157 PHE QE . . 3.870 2.419 2.092 2.945 . 0 0 "[ . 1]" 1
441 1 134 LEU MD1 1 157 PHE HZ . . 3.960 3.010 2.303 3.485 . 0 0 "[ . 1]" 1
442 1 134 LEU MD2 1 157 PHE QE . . 3.870 2.552 1.918 3.708 . 0 0 "[ . 1]" 1
443 1 134 LEU MD2 1 157 PHE HZ . . 3.960 3.220 2.560 3.905 . 0 0 "[ . 1]" 1
444 1 138 LEU H 1 139 VAL H . . 3.960 2.602 2.278 2.768 . 0 0 "[ . 1]" 1
445 1 139 VAL H 1 139 VAL HB . . 3.360 2.685 2.504 3.571 0.211 9 0 "[ . 1]" 1
446 1 139 VAL H 1 139 VAL MG1 . . 3.800 3.697 2.731 3.846 0.046 1 0 "[ . 1]" 1
447 1 139 VAL H 1 139 VAL QG . . 3.280 2.397 1.914 2.771 . 0 0 "[ . 1]" 1
448 1 139 VAL H 1 139 VAL MG2 . . 3.800 2.437 1.939 2.842 . 0 0 "[ . 1]" 1
449 1 139 VAL H 1 140 ASP H . . 3.180 2.433 1.876 3.018 . 0 0 "[ . 1]" 1
450 1 139 VAL HB 1 140 ASP H . . 3.190 2.594 2.129 3.323 0.133 9 0 "[ . 1]" 1
451 1 139 VAL QG 1 140 ASP H . . 3.640 2.989 1.838 3.405 . 0 0 "[ . 1]" 1
452 1 139 VAL MG1 1 140 ASP H . . 4.220 3.397 2.947 4.101 . 0 0 "[ . 1]" 1
453 1 139 VAL MG2 1 140 ASP H . . 4.220 3.614 1.841 4.009 . 0 0 "[ . 1]" 1
454 1 140 ASP H 1 140 ASP HB2 . . 4.140 3.363 2.518 4.086 . 0 0 "[ . 1]" 1
455 1 140 ASP H 1 140 ASP QB . . 3.380 2.825 2.357 3.408 0.028 9 0 "[ . 1]" 1
456 1 140 ASP H 1 140 ASP HB3 . . 4.140 3.118 2.471 3.819 . 0 0 "[ . 1]" 1
457 1 144 VAL HB 1 145 ARG H . . 4.050 3.545 2.489 4.051 0.001 8 0 "[ . 1]" 1
458 1 144 VAL QG 1 145 ARG H . . 3.940 2.593 1.926 3.716 . 0 0 "[ . 1]" 1
459 1 145 ARG H 1 145 ARG HB2 . . 4.200 3.240 2.225 4.035 . 0 0 "[ . 1]" 1
460 1 145 ARG H 1 145 ARG QB . . 3.620 2.667 2.202 3.389 . 0 0 "[ . 1]" 1
461 1 145 ARG H 1 145 ARG HB3 . . 4.200 3.228 2.377 3.704 . 0 0 "[ . 1]" 1
462 1 145 ARG H 1 145 ARG HG2 . . 4.330 3.123 2.201 4.327 . 0 0 "[ . 1]" 1
463 1 145 ARG H 1 145 ARG QG . . 3.540 2.691 2.169 3.398 . 0 0 "[ . 1]" 1
464 1 145 ARG H 1 145 ARG HG3 . . 4.330 3.338 2.376 4.058 . 0 0 "[ . 1]" 1
465 1 146 ASP HA 1 147 THR H . . 3.530 2.234 2.155 2.464 . 0 0 "[ . 1]" 1
466 1 147 THR H 1 147 THR MG . . 4.100 3.167 2.198 3.861 . 0 0 "[ . 1]" 1
467 1 147 THR MG 1 149 HIS HE1 . . 4.480 3.872 2.224 4.488 0.008 1 0 "[ . 1]" 1
468 1 148 LEU H 1 148 LEU HB2 . . 3.560 2.318 2.188 2.752 . 0 0 "[ . 1]" 1
469 1 148 LEU H 1 148 LEU QB . . 3.040 2.217 2.167 2.286 . 0 0 "[ . 1]" 1
470 1 148 LEU H 1 148 LEU HB3 . . 3.560 3.234 2.421 3.533 . 0 0 "[ . 1]" 1
471 1 148 LEU H 1 148 LEU QD . . 3.680 2.868 2.258 3.661 . 0 0 "[ . 1]" 1
472 1 148 LEU HA 1 149 HIS H . . 3.420 3.403 3.338 3.454 0.034 10 0 "[ . 1]" 1
473 1 148 LEU HA 1 150 LEU H . . 4.220 3.593 3.304 4.086 . 0 0 "[ . 1]" 1
474 1 149 HIS HA 1 150 LEU QD . . 5.140 5.086 4.806 5.246 0.106 4 0 "[ . 1]" 1
475 1 149 HIS HE1 1 150 LEU MD1 . . 4.430 3.779 3.095 4.251 . 0 0 "[ . 1]" 1
476 1 149 HIS HE1 1 150 LEU QD . . 3.610 2.575 1.912 3.589 . 0 0 "[ . 1]" 1
477 1 149 HIS HE1 1 150 LEU MD2 . . 4.430 2.766 1.915 4.067 . 0 0 "[ . 1]" 1
478 1 149 HIS HE1 1 150 LEU HG . . 3.700 3.005 2.503 3.563 . 0 0 "[ . 1]" 1
479 1 150 LEU H 1 150 LEU QB . . 3.340 2.531 2.308 3.034 . 0 0 "[ . 1]" 1
480 1 150 LEU H 1 150 LEU MD1 . . 4.640 3.595 2.493 4.095 . 0 0 "[ . 1]" 1
481 1 150 LEU H 1 150 LEU QD . . 3.850 3.056 2.453 3.542 . 0 0 "[ . 1]" 1
482 1 150 LEU H 1 150 LEU MD2 . . 4.640 3.439 2.989 3.878 . 0 0 "[ . 1]" 1
483 1 150 LEU H 1 150 LEU HG . . 4.290 2.429 1.935 3.129 . 0 0 "[ . 1]" 1
484 1 150 LEU H 1 151 GLU H . . 3.400 2.748 2.003 3.355 . 0 0 "[ . 1]" 1
485 1 150 LEU H 1 151 GLU QB . . 5.340 4.853 4.196 5.343 0.003 9 0 "[ . 1]" 1
486 1 150 LEU H 1 151 GLU QG . . 4.540 3.736 2.836 4.543 0.003 9 0 "[ . 1]" 1
487 1 150 LEU HA 1 150 LEU QD . . 3.490 2.326 1.939 3.403 . 0 0 "[ . 1]" 1
488 1 151 GLU H 1 151 GLU HG2 . . 4.700 2.974 2.215 4.211 . 0 0 "[ . 1]" 1
489 1 151 GLU H 1 151 GLU HG3 . . 4.700 3.006 2.014 4.088 . 0 0 "[ . 1]" 1
490 1 151 GLU HA 1 152 GLY H . . 3.440 2.174 2.147 2.241 . 0 0 "[ . 1]" 1
491 1 151 GLU QB 1 152 GLY H . . 3.280 3.106 2.845 3.244 . 0 0 "[ . 1]" 1
492 1 151 GLU HB2 1 152 GLY H . . 4.120 3.448 2.903 4.135 0.015 6 0 "[ . 1]" 1
493 1 151 GLU HB3 1 152 GLY H . . 4.120 3.887 3.321 4.127 0.007 10 0 "[ . 1]" 1
494 1 152 GLY H 1 153 LYS H . . 4.100 2.558 2.299 2.672 . 0 0 "[ . 1]" 1
495 1 153 LYS H 1 153 LYS HD2 . . 4.680 4.380 3.947 4.722 0.042 6 0 "[ . 1]" 1
496 1 153 LYS H 1 153 LYS HG2 . . 4.910 4.412 4.380 4.454 . 0 0 "[ . 1]" 1
497 1 153 LYS H 1 153 LYS QG . . 4.150 3.998 3.893 4.100 . 0 0 "[ . 1]" 1
498 1 153 LYS H 1 153 LYS HG3 . . 4.910 4.581 4.346 4.792 . 0 0 "[ . 1]" 1
499 1 153 LYS H 1 154 GLU H . . 4.760 4.549 4.458 4.596 . 0 0 "[ . 1]" 1
500 1 153 LYS HA 1 154 GLU H . . 2.590 2.163 2.153 2.195 . 0 0 "[ . 1]" 1
501 1 153 LYS HD2 1 155 LEU H . . 4.540 3.963 3.539 4.557 0.017 6 0 "[ . 1]" 1
502 1 153 LYS HD2 1 157 PHE QE . . 5.230 4.918 4.396 5.232 0.002 8 0 "[ . 1]" 1
503 1 153 LYS HD2 1 157 PHE HZ . . 5.070 4.477 3.989 5.032 . 0 0 "[ . 1]" 1
504 1 153 LYS HD3 1 154 GLU H . . 4.460 4.261 3.936 4.469 0.009 10 0 "[ . 1]" 1
505 1 153 LYS HD3 1 155 LEU H . . 4.340 3.844 2.194 4.281 . 0 0 "[ . 1]" 1
506 1 153 LYS HD3 1 157 PHE QE . . 5.500 5.234 4.568 5.514 0.014 10 0 "[ . 1]" 1
507 1 153 LYS QG 1 154 GLU H . . 3.410 2.462 2.214 2.563 . 0 0 "[ . 1]" 1
508 1 153 LYS HG2 1 154 GLU H . . 4.210 2.483 2.227 2.585 . 0 0 "[ . 1]" 1
509 1 153 LYS HG3 1 154 GLU H . . 4.210 4.078 3.856 4.222 0.012 1 0 "[ . 1]" 1
510 1 154 GLU H 1 154 GLU QB . . 2.900 2.791 2.236 2.946 0.046 9 0 "[ . 1]" 1
511 1 154 GLU H 1 154 GLU HG2 . . 4.010 2.334 1.927 4.018 0.008 1 0 "[ . 1]" 1
512 1 154 GLU H 1 154 GLU QG . . 3.450 2.106 1.901 2.914 . 0 0 "[ . 1]" 1
513 1 154 GLU H 1 154 GLU HG3 . . 4.010 3.024 2.083 3.741 . 0 0 "[ . 1]" 1
514 1 154 GLU H 1 155 LEU H . . 4.330 4.185 3.877 4.347 0.017 2 0 "[ . 1]" 1
515 1 154 GLU HA 1 155 LEU H . . 3.220 2.179 2.140 2.275 . 0 0 "[ . 1]" 1
516 1 154 GLU QB 1 155 LEU H . . 4.260 3.552 3.347 3.768 . 0 0 "[ . 1]" 1
517 1 154 GLU QG 1 155 LEU H . . 4.440 4.383 4.245 4.475 0.035 1 0 "[ . 1]" 1
518 1 155 LEU H 1 156 GLU H . . 4.590 4.401 4.316 4.511 . 0 0 "[ . 1]" 1
519 1 155 LEU H 1 157 PHE QE . . 4.570 3.967 3.033 4.405 . 0 0 "[ . 1]" 1
520 1 155 LEU HA 1 156 GLU H . . 3.410 2.402 2.184 2.646 . 0 0 "[ . 1]" 1
521 1 156 GLU H 1 156 GLU QB . . 3.260 2.629 2.233 3.158 . 0 0 "[ . 1]" 1
522 1 156 GLU H 1 156 GLU HG2 . . 4.460 2.944 1.948 4.358 . 0 0 "[ . 1]" 1
523 1 156 GLU H 1 156 GLU QG . . 3.800 2.562 1.936 3.876 0.076 8 0 "[ . 1]" 1
524 1 156 GLU H 1 156 GLU HG3 . . 4.460 3.325 2.449 4.399 . 0 0 "[ . 1]" 1
525 1 156 GLU QB 1 157 PHE H . . 4.330 2.899 2.193 3.699 . 0 0 "[ . 1]" 1
526 1 157 PHE H 1 157 PHE QD . . 4.020 2.692 2.310 3.448 . 0 0 "[ . 1]" 1
527 1 157 PHE HA 1 157 PHE QD . . 3.940 2.881 2.260 3.083 . 0 0 "[ . 1]" 1
528 1 157 PHE HA 1 171 VAL QG . . 5.440 4.104 3.377 4.737 . 0 0 "[ . 1]" 1
529 1 157 PHE HA 1 179 SER H . . 4.550 4.562 4.552 4.582 0.032 6 0 "[ . 1]" 1
530 1 157 PHE QB 1 171 VAL QG . . 3.850 2.125 1.871 2.530 . 0 0 "[ . 1]" 1
531 1 157 PHE QD 1 171 VAL HA . . 5.500 5.488 5.286 5.522 0.022 3 0 "[ . 1]" 1
532 1 157 PHE QD 1 171 VAL HB . . 4.020 3.528 3.156 4.038 0.018 1 0 "[ . 1]" 1
533 1 157 PHE QD 1 171 VAL MG1 . . 3.780 2.732 1.948 3.457 . 0 0 "[ . 1]" 1
534 1 157 PHE QD 1 171 VAL QG . . 3.200 2.401 1.930 3.071 . 0 0 "[ . 1]" 1
535 1 157 PHE QD 1 171 VAL MG2 . . 3.780 3.024 2.152 3.437 . 0 0 "[ . 1]" 1
536 1 157 PHE QE 1 171 VAL MG1 . . 4.970 4.121 3.588 4.478 . 0 0 "[ . 1]" 1
537 1 157 PHE QE 1 171 VAL QG . . 4.040 3.345 3.065 3.534 . 0 0 "[ . 1]" 1
538 1 157 PHE QE 1 171 VAL MG2 . . 4.970 3.615 3.129 3.956 . 0 0 "[ . 1]" 1
539 1 158 LYS H 1 172 SER H . . 4.620 4.497 4.005 4.655 0.035 6 0 "[ . 1]" 1
540 1 159 VAL H 1 159 VAL QG . . 3.640 2.146 1.939 2.489 . 0 0 "[ . 1]" 1
541 1 159 VAL QG 1 161 LYS H . . 3.410 3.045 2.599 3.412 0.002 5 0 "[ . 1]" 1
542 1 160 ILE H 1 160 ILE MD . . 4.380 4.101 2.032 4.424 0.044 6 0 "[ . 1]" 1
543 1 160 ILE H 1 160 ILE MG . . 3.720 2.213 1.942 3.759 0.039 10 0 "[ . 1]" 1
544 1 160 ILE H 1 161 LYS H . . 3.860 2.067 1.891 2.468 . 0 0 "[ . 1]" 1
545 1 160 ILE H 1 171 VAL HA . . 4.720 4.034 3.380 4.723 0.003 8 0 "[ . 1]" 1
546 1 160 ILE H 1 171 VAL QG . . 4.590 4.436 3.988 4.600 0.010 7 0 "[ . 1]" 1
547 1 160 ILE MG 1 161 LYS H . . 4.450 2.296 1.925 3.451 . 0 0 "[ . 1]" 1
548 1 160 ILE MG 1 171 VAL HA . . 4.560 3.446 2.201 4.577 0.017 10 0 "[ . 1]" 1
549 1 160 ILE MG 1 172 SER H . . 4.640 2.918 2.158 4.039 . 0 0 "[ . 1]" 1
550 1 161 LYS H 1 162 LEU H . . 4.680 4.101 3.853 4.349 . 0 0 "[ . 1]" 1
551 1 161 LYS H 1 170 VAL QG . . 4.930 4.232 3.548 4.714 . 0 0 "[ . 1]" 1
552 1 161 LYS H 1 171 VAL HA . . 5.000 4.631 4.204 4.971 . 0 0 "[ . 1]" 1
553 1 161 LYS HA 1 162 LEU H . . 3.360 2.234 2.141 2.470 . 0 0 "[ . 1]" 1
554 1 162 LEU H 1 162 LEU QD . . 4.290 2.287 1.807 3.335 . 0 0 "[ . 1]" 1
555 1 162 LEU HA 1 170 VAL H . . 3.940 3.144 2.650 3.738 . 0 0 "[ . 1]" 1
556 1 162 LEU QB 1 163 ASP H . . 4.390 2.932 2.345 3.419 . 0 0 "[ . 1]" 1
557 1 162 LEU QB 1 170 VAL H . . 3.810 3.751 3.316 3.817 0.007 3 0 "[ . 1]" 1
558 1 163 ASP HA 1 165 LYS H . . 3.900 3.406 3.141 3.737 . 0 0 "[ . 1]" 1
559 1 163 ASP QB 1 168 ASN H . . 5.130 3.725 2.834 4.464 . 0 0 "[ . 1]" 1
560 1 164 GLN H 1 164 GLN QB . . 3.390 2.422 2.200 2.695 . 0 0 "[ . 1]" 1
561 1 164 GLN H 1 164 GLN QG . . 4.330 2.909 2.023 3.961 . 0 0 "[ . 1]" 1
562 1 164 GLN H 1 168 ASN H . . 5.500 5.196 4.668 5.507 0.007 6 0 "[ . 1]" 1
563 1 164 GLN QB 1 164 GLN QE . . 3.610 3.187 2.057 3.610 . 0 0 "[ . 1]" 1
564 1 165 LYS H 1 166 ARG H . . 3.800 2.715 2.524 2.853 . 0 0 "[ . 1]" 1
565 1 166 ARG H 1 167 ASN H . . 3.990 2.441 1.945 2.700 . 0 0 "[ . 1]" 1
566 1 167 ASN H 1 167 ASN HD21 . . 4.630 3.602 2.772 4.617 . 0 0 "[ . 1]" 1
567 1 167 ASN H 1 168 ASN H . . 3.930 2.764 2.667 2.925 . 0 0 "[ . 1]" 1
568 1 167 ASN HD21 1 168 ASN H . . 5.010 4.718 4.075 5.033 0.023 1 0 "[ . 1]" 1
569 1 168 ASN H 1 168 ASN HB2 . . 4.000 3.158 2.343 3.929 . 0 0 "[ . 1]" 1
570 1 168 ASN H 1 168 ASN HB3 . . 4.000 2.917 2.581 3.545 . 0 0 "[ . 1]" 1
571 1 168 ASN H 1 169 VAL H . . 5.500 4.408 4.245 4.531 . 0 0 "[ . 1]" 1
572 1 168 ASN HA 1 169 VAL H . . 3.390 2.324 2.155 2.508 . 0 0 "[ . 1]" 1
573 1 168 ASN HA 1 169 VAL QG . . 4.320 3.417 3.063 3.741 . 0 0 "[ . 1]" 1
574 1 168 ASN QD 1 169 VAL H . . 4.020 2.989 2.290 3.698 . 0 0 "[ . 1]" 1
575 1 168 ASN QD 1 170 VAL QG . . 4.190 3.109 2.074 4.191 0.001 10 0 "[ . 1]" 1
576 1 169 VAL H 1 169 VAL QG . . 4.000 2.344 1.912 2.968 . 0 0 "[ . 1]" 1
577 1 169 VAL HA 1 170 VAL H . . 3.340 2.204 2.144 2.234 . 0 0 "[ . 1]" 1
578 1 169 VAL QG 1 170 VAL H . . 4.110 2.636 1.947 3.343 . 0 0 "[ . 1]" 1
579 1 169 VAL QG 1 170 VAL HA . . 4.480 3.480 3.284 3.723 . 0 0 "[ . 1]" 1
580 1 170 VAL H 1 170 VAL QG . . 3.620 2.089 1.972 2.182 . 0 0 "[ . 1]" 1
581 1 170 VAL HA 1 170 VAL QG . . 3.140 2.269 2.207 2.336 . 0 0 "[ . 1]" 1
582 1 170 VAL HA 1 171 VAL H . . 3.530 2.436 2.259 2.491 . 0 0 "[ . 1]" 1
583 1 170 VAL HA 1 171 VAL QG . . 4.610 3.268 3.172 3.323 . 0 0 "[ . 1]" 1
584 1 170 VAL HB 1 171 VAL H . . 4.300 2.468 2.202 3.939 . 0 0 "[ . 1]" 1
585 1 170 VAL QG 1 171 VAL H . . 3.730 2.940 2.033 3.296 . 0 0 "[ . 1]" 1
586 1 170 VAL MG1 1 171 VAL H . . 4.370 3.679 3.560 3.866 . 0 0 "[ . 1]" 1
587 1 170 VAL MG2 1 171 VAL H . . 4.370 3.123 2.045 3.572 . 0 0 "[ . 1]" 1
588 1 171 VAL H 1 171 VAL MG1 . . 4.420 3.227 2.916 3.898 . 0 0 "[ . 1]" 1
589 1 171 VAL H 1 171 VAL QG . . 3.600 2.160 1.897 2.665 . 0 0 "[ . 1]" 1
590 1 171 VAL H 1 171 VAL MG2 . . 4.420 2.196 1.914 2.713 . 0 0 "[ . 1]" 1
591 1 171 VAL QG 1 172 SER H . . 4.600 3.006 1.968 3.383 . 0 0 "[ . 1]" 1
592 1 172 SER QB 1 175 ALA H . . 4.520 2.843 2.246 3.688 . 0 0 "[ . 1]" 1
593 1 174 ARG QB 1 174 ARG QD . . 3.280 2.209 2.079 2.359 . 0 0 "[ . 1]" 1
594 1 174 ARG QB 1 175 ALA H . . 3.820 3.046 2.161 3.615 . 0 0 "[ . 1]" 1
595 1 175 ALA H 1 175 ALA MB . . 3.570 2.142 2.040 2.233 . 0 0 "[ . 1]" 1
596 1 175 ALA MB 1 176 VAL H . . 4.110 3.024 2.689 3.227 . 0 0 "[ . 1]" 1
597 1 175 ALA MB 1 177 ILE H . . 4.680 4.388 4.268 4.550 . 0 0 "[ . 1]" 1
598 1 175 ALA MB 1 178 GLU H . . 4.850 4.221 4.014 4.861 0.011 3 0 "[ . 1]" 1
599 1 176 VAL H 1 176 VAL HB . . 3.650 2.450 2.357 2.595 . 0 0 "[ . 1]" 1
600 1 176 VAL H 1 176 VAL QG . . 3.460 2.264 2.064 2.458 . 0 0 "[ . 1]" 1
601 1 176 VAL H 1 178 GLU H . . 4.630 4.385 4.216 4.654 0.024 3 0 "[ . 1]" 1
602 1 176 VAL HA 1 178 GLU H . . 4.630 3.843 3.602 4.726 0.096 3 0 "[ . 1]" 1
603 1 176 VAL HA 1 179 SER H . . 4.010 3.300 2.865 3.716 . 0 0 "[ . 1]" 1
604 1 176 VAL HB 1 177 ILE H . . 4.160 3.873 2.699 4.119 . 0 0 "[ . 1]" 1
605 1 176 VAL QG 1 177 ILE H . . 3.260 2.237 1.968 3.257 . 0 0 "[ . 1]" 1
606 1 176 VAL QG 1 178 GLU H . . 4.680 4.035 3.903 4.361 . 0 0 "[ . 1]" 1
607 1 176 VAL QG 1 179 SER H . . 4.680 3.905 3.406 4.483 . 0 0 "[ . 1]" 1
608 1 176 VAL QG 1 180 GLU H . . 4.070 3.572 2.951 4.043 . 0 0 "[ . 1]" 1
609 1 176 VAL MG1 1 180 GLU H . . 5.160 4.734 3.322 5.167 0.007 7 0 "[ . 1]" 1
610 1 176 VAL MG2 1 180 GLU H . . 5.160 3.864 2.989 5.164 0.004 8 0 "[ . 1]" 1
611 1 177 ILE H 1 177 ILE HB . . 3.850 3.517 2.652 3.616 . 0 0 "[ . 1]" 1
612 1 177 ILE H 1 177 ILE HG12 . . 3.900 2.246 1.912 3.218 . 0 0 "[ . 1]" 1
613 1 177 ILE H 1 177 ILE HG13 . . 3.900 3.257 2.430 3.468 . 0 0 "[ . 1]" 1
614 1 177 ILE H 1 177 ILE MG . . 3.840 2.356 1.943 3.768 . 0 0 "[ . 1]" 1
615 1 177 ILE H 1 178 GLU H . . 3.760 2.737 2.639 2.786 . 0 0 "[ . 1]" 1
616 1 177 ILE HB 1 178 GLU H . . 4.150 3.756 2.282 4.068 . 0 0 "[ . 1]" 1
617 1 177 ILE MD 1 178 GLU H . . 4.880 3.914 2.885 4.574 . 0 0 "[ . 1]" 1
618 1 177 ILE HG12 1 178 GLU H . . 4.310 2.939 2.550 3.907 . 0 0 "[ . 1]" 1
619 1 177 ILE HG13 1 178 GLU H . . 4.310 2.618 2.065 4.533 0.223 3 0 "[ . 1]" 1
620 1 177 ILE MG 1 178 GLU H . . 4.050 3.905 3.389 4.047 . 0 0 "[ . 1]" 1
621 1 178 GLU H 1 178 GLU HB2 . . 3.660 2.651 2.379 3.641 . 0 0 "[ . 1]" 1
622 1 178 GLU H 1 178 GLU QB . . 3.160 2.493 2.346 2.592 . 0 0 "[ . 1]" 1
623 1 178 GLU H 1 178 GLU HB3 . . 3.660 3.500 2.555 3.647 . 0 0 "[ . 1]" 1
624 1 178 GLU H 1 178 GLU HG2 . . 3.870 2.351 1.949 2.925 . 0 0 "[ . 1]" 1
625 1 178 GLU H 1 178 GLU QG . . 3.330 2.214 1.940 2.454 . 0 0 "[ . 1]" 1
626 1 178 GLU H 1 178 GLU HG3 . . 3.870 3.323 2.185 3.858 . 0 0 "[ . 1]" 1
627 1 178 GLU H 1 179 SER H . . 3.460 2.613 2.273 3.043 . 0 0 "[ . 1]" 1
628 1 178 GLU H 1 179 SER QB . . 4.770 4.498 4.098 4.777 0.007 5 0 "[ . 1]" 1
629 1 178 GLU QB 1 179 SER H . . 3.590 2.526 2.055 3.512 . 0 0 "[ . 1]" 1
630 1 178 GLU HB2 1 179 SER H . . 4.140 2.617 2.076 4.018 . 0 0 "[ . 1]" 1
631 1 178 GLU HB3 1 179 SER H . . 4.140 3.580 2.927 4.020 . 0 0 "[ . 1]" 1
632 1 178 GLU QG 1 179 SER H . . 4.000 3.705 2.040 4.002 0.002 7 0 "[ . 1]" 1
633 1 179 SER H 1 179 SER QB . . 2.990 2.293 2.108 2.492 . 0 0 "[ . 1]" 1
634 1 179 SER H 1 180 GLU H . . 3.120 2.797 2.430 3.028 . 0 0 "[ . 1]" 1
635 1 179 SER QB 1 180 GLU H . . 3.930 3.036 2.182 3.593 . 0 0 "[ . 1]" 1
636 1 179 SER HB2 1 180 GLU H . . 4.480 3.706 2.610 4.369 . 0 0 "[ . 1]" 1
637 1 179 SER HB3 1 180 GLU H . . 4.480 3.383 2.199 3.821 . 0 0 "[ . 1]" 1
638 1 180 GLU H 1 180 GLU QB . . 2.790 2.383 2.222 2.584 . 0 0 "[ . 1]" 1
639 1 180 GLU H 1 180 GLU HG2 . . 3.580 2.802 1.902 3.577 . 0 0 "[ . 1]" 1
640 1 180 GLU H 1 180 GLU HG3 . . 3.580 3.029 2.521 3.581 0.001 8 0 "[ . 1]" 1
641 1 180 GLU H 1 181 ASN H . . 3.140 2.838 2.660 2.962 . 0 0 "[ . 1]" 1
642 1 180 GLU QB 1 181 ASN H . . 2.940 2.548 2.110 3.114 0.174 7 0 "[ . 1]" 1
643 1 180 GLU HB2 1 181 ASN H . . 3.580 2.648 2.136 3.292 . 0 0 "[ . 1]" 1
644 1 180 GLU HB3 1 181 ASN H . . 3.580 3.385 2.957 3.842 0.262 7 0 "[ . 1]" 1
645 1 180 GLU QG 1 181 ASN H . . 4.510 3.644 1.848 4.325 . 0 0 "[ . 1]" 1
646 1 181 ASN H 1 181 ASN QB . . 2.940 2.565 2.235 2.939 . 0 0 "[ . 1]" 1
647 1 181 ASN H 1 182 SER H . . 3.460 3.054 2.243 3.455 . 0 0 "[ . 1]" 1
648 1 181 ASN QB 1 181 ASN QD . . 3.070 2.178 2.071 2.465 . 0 0 "[ . 1]" 1
649 1 181 ASN QB 1 182 SER H . . 4.090 3.598 2.099 4.022 . 0 0 "[ . 1]" 1
650 1 181 ASN HB2 1 182 SER H . . 4.780 4.164 2.221 4.663 . 0 0 "[ . 1]" 1
651 1 181 ASN HB3 1 182 SER H . . 4.780 3.977 2.583 4.393 . 0 0 "[ . 1]" 1
652 1 182 SER H 1 182 SER HA . . 2.660 2.759 2.754 2.791 0.131 6 0 "[ . 1]" 1
653 1 182 SER H 1 182 SER HB2 . . 3.620 3.165 2.221 3.594 . 0 0 "[ . 1]" 1
654 1 182 SER H 1 182 SER QB . . 3.070 2.381 2.156 2.989 . 0 0 "[ . 1]" 1
655 1 182 SER H 1 182 SER HB3 . . 3.620 2.619 2.199 3.592 . 0 0 "[ . 1]" 1
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