NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380055 |
1i8h   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i8h
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 576
_Distance_constraint_stats_list.Viol_count 1163
_Distance_constraint_stats_list.Viol_total 9810.225
_Distance_constraint_stats_list.Viol_max 12.241
_Distance_constraint_stats_list.Viol_rms 0.9910
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1703
_Distance_constraint_stats_list.Viol_average_violations_only 0.8435
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.000 0.000 . 0 "[ . 1]"
1 2 VAL 55.206 7.020 2 10 [*+*****-**]
1 3 SER 3.099 0.633 3 3 "[ + .* - 1]"
1 4 VAL 502.497 12.241 7 10 [*****-+***]
1 5 VAL 179.828 8.418 10 10 [-********+]
1 6 ARG 147.099 5.155 8 10 [***-***+**]
2 1 LYS 0.037 0.037 2 0 "[ . 1]"
2 2 LEU 3.465 0.122 7 0 "[ . 1]"
2 3 PRO 8.471 0.131 10 0 "[ . 1]"
2 4 PRO 1.207 0.121 4 0 "[ . 1]"
2 5 GLY 2.021 0.112 6 0 "[ . 1]"
2 6 TRP 17.249 0.155 7 0 "[ . 1]"
2 7 GLU 5.809 0.155 7 0 "[ . 1]"
2 8 LYS 4.217 0.139 6 0 "[ . 1]"
2 9 ARG 49.827 7.020 2 10 [*+*******-]
2 10 MET 4.782 0.129 6 0 "[ . 1]"
2 11 SER 7.098 0.253 1 0 "[ . 1]"
2 12 ARG 1.413 0.124 8 0 "[ . 1]"
2 13 SER 0.000 0.000 . 0 "[ . 1]"
2 14 SER 0.333 0.115 9 0 "[ . 1]"
2 15 GLY 2.129 0.129 2 0 "[ . 1]"
2 16 ARG 6.742 0.133 6 0 "[ . 1]"
2 17 VAL 5.913 0.253 1 0 "[ . 1]"
2 18 TYR 8.706 0.189 1 0 "[ . 1]"
2 19 TYR 10.192 0.189 1 0 "[ . 1]"
2 20 PHE 19.449 4.170 2 6 "[*+ * *-*1]"
2 21 ASN 7.236 0.316 8 0 "[ . 1]"
2 22 HIS 1.689 0.123 7 0 "[ . 1]"
2 23 ILE 1.662 0.111 5 0 "[ . 1]"
2 24 THR 4.362 0.803 9 2 "[ . -+1]"
2 25 ASN 1.600 0.136 1 0 "[ . 1]"
2 26 ALA 4.500 0.803 9 2 "[ . -+1]"
2 27 SER 0.953 0.107 6 0 "[ . 1]"
2 28 GLN 7.640 0.142 4 0 "[ . 1]"
2 29 TRP 831.826 12.241 7 10 [***-**+***]
2 30 GLU 4.569 0.143 10 0 "[ . 1]"
2 31 ARG 5.569 0.136 7 0 "[ . 1]"
2 32 PRO 5.875 0.144 9 0 "[ . 1]"
2 33 SER 2.242 0.139 3 0 "[ . 1]"
2 34 GLY 1.352 0.139 3 0 "[ . 1]"
2 35 ASN 1.242 0.110 7 0 "[ . 1]"
2 36 SER 0.771 0.112 4 0 "[ . 1]"
2 37 SER 2.098 0.139 2 0 "[ . 1]"
2 38 SER 2.861 0.139 2 0 "[ . 1]"
2 39 GLY 0.841 0.129 10 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 1 LYS HA 1 2 VAL H 2.000 . 3.000 2.266 2.214 2.329 . 0 0 "[ . 1]" 1
2 1 2 VAL HA 1 3 SER H 2.000 . 3.000 2.398 2.154 3.482 0.482 6 0 "[ . 1]" 1
3 1 2 VAL HB 1 3 SER H 3.000 . 4.000 3.993 2.811 4.515 0.515 8 1 "[ . + 1]" 1
4 1 2 VAL QG 1 3 SER H 4.000 . 5.500 2.493 1.771 3.847 0.229 6 0 "[ . 1]" 1
5 1 2 VAL QG 2 9 ARG HE 4.000 . 4.500 8.261 5.023 11.520 7.020 2 10 [*+*******-] 1
6 1 2 VAL QG 2 20 PHE QE 3.000 . 5.000 5.704 2.058 9.170 4.170 2 6 "[*+ * *-*1]" 1
7 1 3 SER HA 1 4 VAL H 2.000 . 3.000 2.514 2.137 3.633 0.633 3 2 "[ + .- 1]" 1
8 1 4 VAL H 1 4 VAL HA 3.000 . 4.000 2.784 2.282 3.052 . 0 0 "[ . 1]" 1
9 1 4 VAL H 1 4 VAL HB 4.000 . 5.000 3.096 2.520 3.881 . 0 0 "[ . 1]" 1
10 1 4 VAL HB 2 29 TRP HD1 4.000 3.000 6.500 15.327 13.648 17.327 10.827 7 10 [******+**-] 1
11 1 4 VAL HB 2 29 TRP HE1 4.000 3.000 5.500 15.806 13.896 17.741 12.241 7 10 [******+**-] 1
12 1 4 VAL QG 2 29 TRP HD1 4.000 3.000 6.500 11.531 10.159 12.950 6.450 2 10 [-+********] 1
13 1 4 VAL QG 2 29 TRP HE1 4.000 3.000 5.500 11.893 10.576 13.511 8.011 2 10 [-+********] 1
14 1 4 VAL QG 2 29 TRP HH2 4.000 . 5.500 12.185 10.388 14.023 8.523 4 10 [-**+******] 1
15 1 4 VAL QG 2 29 TRP HZ2 4.000 . 5.500 12.307 10.720 13.676 8.176 9 10 [-*******+*] 1
16 1 4 VAL QG 2 29 TRP HZ3 4.000 . 5.500 11.585 9.607 13.979 8.479 4 10 [***+*****-] 1
17 1 5 VAL HB 2 29 TRP H 4.000 . 5.500 10.177 9.374 10.952 5.452 4 10 [-**+******] 1
18 1 5 VAL HB 2 29 TRP HD1 4.000 . 5.500 11.610 10.212 12.696 7.196 10 10 [****-****+] 1
19 1 5 VAL HB 2 29 TRP HE1 4.000 . 5.500 12.697 11.509 13.918 8.418 10 10 [****-****+] 1
20 1 6 ARG QD 2 29 TRP HD1 4.000 . 5.500 9.519 6.701 10.655 5.155 8 10 [***-***+**] 1
21 1 6 ARG QD 2 29 TRP HE1 4.000 . 5.500 9.460 6.830 10.442 4.942 8 10 [***-***+**] 1
22 1 6 ARG QG 2 29 TRP HD1 4.000 . 5.000 8.616 7.316 10.083 5.083 8 10 [*******+-*] 1
23 1 6 ARG QG 2 29 TRP HE1 4.000 . 5.500 8.615 7.794 10.316 4.816 8 10 [******-+**] 1
24 2 1 LYS HA 2 2 LEU H 2.000 . 3.000 2.405 2.224 3.037 0.037 2 0 "[ . 1]" 1
25 2 2 LEU H 2 2 LEU HA 2.000 . 3.000 2.821 2.309 3.038 0.038 3 0 "[ . 1]" 1
26 2 2 LEU H 2 2 LEU HB2 4.000 . 5.000 3.793 3.579 4.156 . 0 0 "[ . 1]" 1
27 2 2 LEU H 2 2 LEU MD1 4.500 . 5.500 4.149 3.908 4.694 . 0 0 "[ . 1]" 1
28 2 2 LEU H 2 2 LEU MD2 4.500 . 5.500 3.341 2.812 4.013 . 0 0 "[ . 1]" 1
29 2 2 LEU HB2 2 3 PRO HA 4.500 . 5.500 5.125 5.062 5.223 . 0 0 "[ . 1]" 1
30 2 2 LEU HB2 2 3 PRO HD2 3.000 . 4.000 2.567 2.490 2.722 . 0 0 "[ . 1]" 1
31 2 2 LEU HB2 2 6 TRP HD1 4.000 . 5.000 5.112 5.107 5.115 0.115 10 0 "[ . 1]" 1
32 2 2 LEU HB2 2 6 TRP HE3 4.500 . 5.500 5.608 5.602 5.617 0.117 7 0 "[ . 1]" 1
33 2 2 LEU MD1 2 3 PRO HA 5.000 2.500 6.000 3.954 3.873 4.022 . 0 0 "[ . 1]" 1
34 2 2 LEU MD1 2 3 PRO HB2 4.500 . 5.500 4.043 3.910 4.135 . 0 0 "[ . 1]" 1
35 2 2 LEU MD1 2 3 PRO HB3 5.000 2.500 6.000 4.888 4.878 4.900 . 0 0 "[ . 1]" 1
36 2 2 LEU MD1 2 3 PRO HD3 5.000 2.500 6.000 3.392 3.315 3.469 . 0 0 "[ . 1]" 1
37 2 2 LEU MD1 2 6 TRP H 5.000 2.500 6.000 3.335 3.249 3.428 . 0 0 "[ . 1]" 1
38 2 2 LEU MD1 2 6 TRP HE3 5.000 2.500 6.000 3.620 3.391 3.879 . 0 0 "[ . 1]" 1
39 2 2 LEU MD1 2 7 GLU H 4.500 . 5.500 4.379 4.138 4.639 . 0 0 "[ . 1]" 1
40 2 2 LEU MD1 2 19 TYR HD1 4.000 . 5.000 3.928 3.749 4.018 . 0 0 "[ . 1]" 1
41 2 2 LEU MD1 2 19 TYR HE1 5.000 2.500 6.000 3.434 2.912 4.433 . 0 0 "[ . 1]" 1
42 2 2 LEU MD1 2 32 PRO HD2 5.000 2.500 6.000 4.549 3.889 4.866 . 0 0 "[ . 1]" 1
43 2 2 LEU MD2 2 19 TYR HD1 5.000 2.500 6.000 4.216 3.902 4.475 . 0 0 "[ . 1]" 1
44 2 2 LEU HG 2 3 PRO HA 4.000 . 5.000 5.118 5.112 5.122 0.122 7 0 "[ . 1]" 1
45 2 2 LEU HG 2 3 PRO HD2 4.500 . 5.500 4.507 4.345 4.614 . 0 0 "[ . 1]" 1
46 2 3 PRO HA 2 3 PRO HD2 4.000 . 5.000 3.869 3.837 3.905 . 0 0 "[ . 1]" 1
47 2 3 PRO HA 2 3 PRO HD3 3.000 . 4.000 3.887 3.812 3.943 . 0 0 "[ . 1]" 1
48 2 3 PRO HA 2 3 PRO HG3 3.000 . 4.000 3.097 2.937 3.277 . 0 0 "[ . 1]" 1
49 2 3 PRO HA 2 6 TRP HD1 3.000 . 4.000 4.112 4.105 4.117 0.117 7 0 "[ . 1]" 1
50 2 3 PRO HA 2 32 PRO HG2 5.000 2.500 6.000 5.882 5.666 6.105 0.105 8 0 "[ . 1]" 1
51 2 3 PRO HB2 2 3 PRO HD2 4.000 . 5.000 2.970 2.773 3.181 . 0 0 "[ . 1]" 1
52 2 3 PRO HB2 2 4 PRO HD2 4.000 . 5.000 3.040 2.946 3.189 . 0 0 "[ . 1]" 1
53 2 3 PRO HB2 2 6 TRP HD1 4.000 . 5.000 2.051 2.014 2.084 . 0 0 "[ . 1]" 1
54 2 3 PRO HB2 2 6 TRP HE1 4.000 . 5.000 2.579 2.483 2.710 . 0 0 "[ . 1]" 1
55 2 3 PRO HB2 2 32 PRO HB2 4.500 . 5.500 4.786 4.481 5.052 . 0 0 "[ . 1]" 1
56 2 3 PRO HB2 2 32 PRO HB3 4.500 . 5.500 4.955 4.799 5.167 . 0 0 "[ . 1]" 1
57 2 3 PRO HB2 2 32 PRO HG2 4.500 . 5.500 4.703 4.388 5.050 . 0 0 "[ . 1]" 1
58 2 3 PRO HB3 2 3 PRO HD2 4.000 . 5.000 3.858 3.792 3.937 . 0 0 "[ . 1]" 1
59 2 3 PRO HB3 2 4 PRO HD2 4.000 . 5.000 2.370 2.285 2.474 . 0 0 "[ . 1]" 1
60 2 3 PRO HB3 2 6 TRP H 5.000 2.500 6.000 6.104 6.068 6.119 0.119 9 0 "[ . 1]" 1
61 2 3 PRO HB3 2 6 TRP HD1 3.000 . 4.000 3.659 3.590 3.713 . 0 0 "[ . 1]" 1
62 2 3 PRO HB3 2 6 TRP HE1 3.000 . 4.000 3.958 3.898 4.104 0.104 8 0 "[ . 1]" 1
63 2 3 PRO HB3 2 32 PRO HB2 4.500 . 5.500 4.984 4.567 5.284 . 0 0 "[ . 1]" 1
64 2 3 PRO HB3 2 32 PRO HB3 4.500 . 5.500 5.589 5.327 5.628 0.128 4 0 "[ . 1]" 1
65 2 3 PRO HB3 2 32 PRO HG2 4.500 . 5.500 5.232 5.018 5.604 0.104 8 0 "[ . 1]" 1
66 2 3 PRO HD2 2 3 PRO HG3 2.000 . 3.000 3.082 3.057 3.100 0.100 7 0 "[ . 1]" 1
67 2 3 PRO HD2 2 6 TRP HD1 4.000 . 5.000 3.001 2.762 3.220 . 0 0 "[ . 1]" 1
68 2 3 PRO HD2 2 32 PRO HB2 4.500 . 5.500 4.107 2.831 4.693 . 0 0 "[ . 1]" 1
69 2 3 PRO HD2 2 32 PRO HB3 4.000 . 5.000 4.460 3.732 4.650 . 0 0 "[ . 1]" 1
70 2 3 PRO HD2 2 32 PRO HG2 4.000 . 5.000 2.754 2.321 3.171 . 0 0 "[ . 1]" 1
71 2 3 PRO HD3 2 3 PRO HG2 3.000 . 4.000 2.681 2.649 2.723 . 0 0 "[ . 1]" 1
72 2 3 PRO HD3 2 3 PRO HG3 2.000 . 3.000 2.397 2.364 2.429 . 0 0 "[ . 1]" 1
73 2 3 PRO HD3 2 6 TRP HD1 4.000 . 5.000 4.604 4.391 4.800 . 0 0 "[ . 1]" 1
74 2 3 PRO HD3 2 6 TRP HE1 4.500 . 5.500 4.932 4.793 5.049 . 0 0 "[ . 1]" 1
75 2 3 PRO HD3 2 32 PRO HB2 4.000 . 5.000 3.845 2.173 4.546 . 0 0 "[ . 1]" 1
76 2 3 PRO HD3 2 32 PRO HB3 4.000 . 5.000 4.775 3.535 5.106 0.106 7 0 "[ . 1]" 1
77 2 3 PRO HD3 2 32 PRO HG2 4.000 . 5.000 2.526 2.075 3.199 . 0 0 "[ . 1]" 1
78 2 3 PRO HG2 2 6 TRP HE1 4.500 . 5.500 2.880 2.652 3.196 . 0 0 "[ . 1]" 1
79 2 3 PRO HG3 2 6 TRP HD1 4.000 . 5.000 4.658 4.471 4.842 . 0 0 "[ . 1]" 1
80 2 3 PRO HG3 2 6 TRP HE1 4.500 . 5.500 4.502 4.302 4.739 . 0 0 "[ . 1]" 1
81 2 3 PRO HG3 2 32 PRO HB2 4.500 . 5.500 3.540 2.679 4.073 . 0 0 "[ . 1]" 1
82 2 3 PRO HG3 2 32 PRO HB3 4.500 . 5.500 4.630 3.536 5.116 . 0 0 "[ . 1]" 1
83 2 3 PRO O 2 6 TRP H 2.300 . 2.500 2.619 2.609 2.631 0.131 10 0 "[ . 1]" 1
84 2 3 PRO O 2 6 TRP N 3.300 2.500 3.500 3.614 3.606 3.621 0.121 2 0 "[ . 1]" 1
85 2 4 PRO HA 2 5 GLY H 2.000 . 3.000 2.117 2.085 2.163 . 0 0 "[ . 1]" 1
86 2 4 PRO HA 2 6 TRP H 4.000 . 5.000 3.605 3.515 3.736 . 0 0 "[ . 1]" 1
87 2 4 PRO HA 2 6 TRP HD1 4.000 . 5.000 4.568 4.486 4.668 . 0 0 "[ . 1]" 1
88 2 4 PRO HB2 2 5 GLY H 4.000 . 5.000 3.595 3.408 3.891 . 0 0 "[ . 1]" 1
89 2 4 PRO HB2 2 5 GLY HA2 4.500 . 5.500 5.219 5.152 5.314 . 0 0 "[ . 1]" 1
90 2 4 PRO HB3 2 5 GLY H 4.000 . 5.000 4.072 3.987 4.223 . 0 0 "[ . 1]" 1
91 2 4 PRO HD2 2 6 TRP HD1 4.500 . 5.500 4.256 4.160 4.340 . 0 0 "[ . 1]" 1
92 2 4 PRO HD3 2 6 TRP HD1 4.000 . 5.000 5.116 5.111 5.121 0.121 4 0 "[ . 1]" 1
93 2 4 PRO HG2 2 5 GLY H 4.000 . 5.000 4.956 4.874 5.034 0.034 4 0 "[ . 1]" 1
94 2 4 PRO HG3 2 5 GLY H 5.000 2.500 6.000 5.725 5.648 5.818 . 0 0 "[ . 1]" 1
95 2 5 GLY H 2 5 GLY HA2 2.000 . 3.000 2.540 2.479 2.647 . 0 0 "[ . 1]" 1
96 2 5 GLY H 2 6 TRP H 2.000 . 3.000 2.649 2.334 2.882 . 0 0 "[ . 1]" 1
97 2 5 GLY HA2 2 6 TRP H 3.000 . 4.000 3.419 3.371 3.440 . 0 0 "[ . 1]" 1
98 2 5 GLY HA2 2 23 ILE HB 5.000 2.500 6.000 5.729 5.295 6.102 0.102 9 0 "[ . 1]" 1
99 2 5 GLY HA2 2 23 ILE MD 5.000 2.500 6.000 3.767 3.448 4.184 . 0 0 "[ . 1]" 1
100 2 5 GLY HA2 2 23 ILE HG12 4.500 . 5.500 3.733 3.168 4.290 . 0 0 "[ . 1]" 1
101 2 5 GLY HA2 2 23 ILE HG13 4.500 . 5.500 4.925 3.481 5.604 0.104 8 0 "[ . 1]" 1
102 2 5 GLY HA3 2 6 TRP H 3.000 . 4.000 3.608 3.558 3.677 . 0 0 "[ . 1]" 1
103 2 5 GLY HA3 2 21 ASN HD21 3.000 . 4.000 4.007 3.897 4.104 0.104 1 0 "[ . 1]" 1
104 2 5 GLY HA3 2 21 ASN HD22 3.000 . 4.000 4.106 4.102 4.112 0.112 6 0 "[ . 1]" 1
105 2 5 GLY HA3 2 22 HIS H 4.000 . 5.000 4.060 3.874 4.286 . 0 0 "[ . 1]" 1
106 2 5 GLY HA3 2 23 ILE H 5.000 2.500 6.000 3.293 3.057 3.672 . 0 0 "[ . 1]" 1
107 2 5 GLY O 2 22 HIS H 2.300 . 2.500 1.831 1.772 1.907 . 0 0 "[ . 1]" 1
108 2 5 GLY O 2 22 HIS N 3.300 2.500 3.500 2.815 2.783 2.863 . 0 0 "[ . 1]" 1
109 2 6 TRP H 2 6 TRP HA 2.000 . 3.000 2.927 2.917 2.938 . 0 0 "[ . 1]" 1
110 2 6 TRP H 2 6 TRP HB2 3.000 . 4.000 1.847 1.832 1.856 . 0 0 "[ . 1]" 1
111 2 6 TRP H 2 6 TRP HB3 2.000 . 3.000 3.140 3.131 3.144 0.144 2 0 "[ . 1]" 1
112 2 6 TRP H 2 7 GLU HA 4.000 . 5.000 5.113 5.097 5.126 0.126 7 0 "[ . 1]" 1
113 2 6 TRP HA 2 6 TRP HD1 4.000 . 5.000 4.016 3.924 4.080 . 0 0 "[ . 1]" 1
114 2 6 TRP HA 2 6 TRP HE3 3.000 . 4.000 3.351 3.219 3.506 . 0 0 "[ . 1]" 1
115 2 6 TRP HA 2 7 GLU H 2.000 . 3.000 2.316 2.260 2.450 . 0 0 "[ . 1]" 1
116 2 6 TRP HA 2 21 ASN H 4.500 . 5.500 4.995 4.838 5.105 . 0 0 "[ . 1]" 1
117 2 6 TRP HA 2 21 ASN HA 2.000 . 3.000 2.344 2.259 2.431 . 0 0 "[ . 1]" 1
118 2 6 TRP HA 2 21 ASN HB3 5.000 2.500 6.000 5.371 5.252 5.451 . 0 0 "[ . 1]" 1
119 2 6 TRP HA 2 22 HIS H 3.000 . 4.000 2.684 2.279 2.917 . 0 0 "[ . 1]" 1
120 2 6 TRP HB2 2 6 TRP HD1 3.000 . 4.000 2.677 2.617 2.712 . 0 0 "[ . 1]" 1
121 2 6 TRP HB2 2 6 TRP HE1 4.500 . 5.500 4.965 4.929 4.990 . 0 0 "[ . 1]" 1
122 2 6 TRP HB2 2 6 TRP HE3 3.000 . 4.000 4.086 4.028 4.107 0.107 6 0 "[ . 1]" 1
123 2 6 TRP HB2 2 7 GLU H 4.000 . 5.000 4.112 3.986 4.206 . 0 0 "[ . 1]" 1
124 2 6 TRP HB3 2 6 TRP HD1 3.000 . 4.000 3.772 3.727 3.804 . 0 0 "[ . 1]" 1
125 2 6 TRP HB3 2 6 TRP HE3 4.000 . 5.000 2.604 2.534 2.644 . 0 0 "[ . 1]" 1
126 2 6 TRP HB3 2 7 GLU H 4.000 . 5.000 2.840 2.626 2.968 . 0 0 "[ . 1]" 1
127 2 6 TRP HD1 2 32 PRO HB3 4.500 . 5.500 5.591 5.503 5.615 0.115 4 0 "[ . 1]" 1
128 2 6 TRP HD1 2 32 PRO HG2 4.500 . 5.500 5.187 4.234 5.503 0.003 2 0 "[ . 1]" 1
129 2 6 TRP HE1 2 32 PRO HB2 4.000 . 5.000 4.172 3.969 4.907 . 0 0 "[ . 1]" 1
130 2 6 TRP HE1 2 32 PRO HB3 4.000 . 5.000 3.456 3.119 4.193 . 0 0 "[ . 1]" 1
131 2 6 TRP HE1 2 32 PRO HG2 4.000 . 5.000 4.347 3.730 4.684 . 0 0 "[ . 1]" 1
132 2 6 TRP HE1 2 32 PRO HG3 4.000 . 5.000 3.092 2.789 3.966 . 0 0 "[ . 1]" 1
133 2 6 TRP HE3 2 7 GLU H 2.000 . 3.000 2.566 2.191 2.806 . 0 0 "[ . 1]" 1
134 2 6 TRP HE3 2 7 GLU HA 3.000 . 4.000 4.149 4.142 4.155 0.155 7 0 "[ . 1]" 1
135 2 6 TRP HE3 2 7 GLU HB3 5.000 2.500 6.000 5.599 5.223 5.754 . 0 0 "[ . 1]" 1
136 2 6 TRP HE3 2 19 TYR HA 4.000 . 5.000 3.750 3.564 3.927 . 0 0 "[ . 1]" 1
137 2 6 TRP HE3 2 19 TYR HB2 4.000 . 5.000 5.138 5.117 5.150 0.150 6 0 "[ . 1]" 1
138 2 6 TRP HE3 2 19 TYR HB3 4.000 . 5.000 3.683 3.519 3.857 . 0 0 "[ . 1]" 1
139 2 6 TRP HE3 2 19 TYR HD1 4.000 . 5.000 2.566 2.225 3.344 . 0 0 "[ . 1]" 1
140 2 6 TRP HE3 2 20 PHE H 3.000 . 4.000 2.600 2.492 2.828 . 0 0 "[ . 1]" 1
141 2 6 TRP HE3 2 20 PHE HA 4.000 . 5.000 4.708 4.575 4.916 . 0 0 "[ . 1]" 1
142 2 6 TRP HE3 2 21 ASN H 5.000 2.500 6.000 4.872 4.659 5.236 . 0 0 "[ . 1]" 1
143 2 6 TRP HE3 2 21 ASN HA 4.000 . 5.000 3.885 3.505 4.104 . 0 0 "[ . 1]" 1
144 2 6 TRP HE3 2 21 ASN HB2 5.000 2.500 6.000 4.940 4.759 5.216 . 0 0 "[ . 1]" 1
145 2 6 TRP HE3 2 32 PRO HD3 4.500 . 5.500 4.577 4.368 4.805 . 0 0 "[ . 1]" 1
146 2 6 TRP HZ2 2 32 PRO HG2 3.000 . 4.000 4.104 3.803 4.144 0.144 9 0 "[ . 1]" 1
147 2 6 TRP HZ2 2 32 PRO HG3 3.000 . 4.000 2.716 2.610 2.848 . 0 0 "[ . 1]" 1
148 2 6 TRP HZ3 2 7 GLU H 4.500 . 5.500 4.460 4.232 4.714 . 0 0 "[ . 1]" 1
149 2 6 TRP HZ3 2 20 PHE H 4.000 . 5.000 2.709 2.608 2.865 . 0 0 "[ . 1]" 1
150 2 6 TRP HZ3 2 31 ARG HA 4.000 . 5.000 4.977 4.317 5.113 0.113 8 0 "[ . 1]" 1
151 2 7 GLU H 2 7 GLU HB2 3.000 . 4.000 3.306 2.791 3.469 . 0 0 "[ . 1]" 1
152 2 7 GLU H 2 7 GLU HB3 3.000 . 4.000 3.414 3.258 3.899 . 0 0 "[ . 1]" 1
153 2 7 GLU H 2 7 GLU QG 5.000 2.500 6.000 4.361 3.370 4.511 . 0 0 "[ . 1]" 1
154 2 7 GLU H 2 8 LYS H 3.000 . 4.000 4.124 4.114 4.139 0.139 6 0 "[ . 1]" 1
155 2 7 GLU H 2 19 TYR HD1 4.500 . 5.500 4.603 4.151 5.604 0.104 10 0 "[ . 1]" 1
156 2 7 GLU H 2 20 PHE H 2.000 . 3.000 3.094 3.031 3.114 0.114 10 0 "[ . 1]" 1
157 2 7 GLU H 2 20 PHE QD 4.500 . 5.500 3.606 3.302 4.008 . 0 0 "[ . 1]" 1
158 2 7 GLU H 2 20 PHE O 2.300 . 2.500 1.829 1.745 2.027 . 0 0 "[ . 1]" 1
159 2 7 GLU H 2 21 ASN HA 4.000 . 5.000 3.568 3.419 3.758 . 0 0 "[ . 1]" 1
160 2 7 GLU H 2 22 HIS H 4.000 . 5.000 4.275 4.019 4.476 . 0 0 "[ . 1]" 1
161 2 7 GLU HA 2 8 LYS H 2.000 . 3.000 2.575 2.040 3.005 0.005 10 0 "[ . 1]" 1
162 2 7 GLU HA 2 20 PHE H 4.000 . 5.000 4.633 4.517 4.807 . 0 0 "[ . 1]" 1
163 2 7 GLU HB2 2 9 ARG HE 4.500 . 5.500 5.362 3.745 5.606 0.106 1 0 "[ . 1]" 1
164 2 7 GLU HB2 2 20 PHE HB3 5.000 2.500 6.000 4.429 2.435 4.951 0.065 7 0 "[ . 1]" 1
165 2 7 GLU HB3 2 8 LYS H 4.000 . 5.000 2.723 2.111 3.904 . 0 0 "[ . 1]" 1
166 2 7 GLU HB3 2 9 ARG HE 4.500 . 5.500 4.309 3.966 4.832 . 0 0 "[ . 1]" 1
167 2 7 GLU HG2 2 8 LYS H 4.000 . 5.000 2.759 2.332 3.788 . 0 0 "[ . 1]" 1
168 2 7 GLU HG3 2 8 LYS H 4.000 . 5.000 3.757 3.458 4.493 . 0 0 "[ . 1]" 1
169 2 7 GLU N 2 20 PHE O 3.300 2.500 3.500 2.766 2.720 2.819 . 0 0 "[ . 1]" 1
170 2 7 GLU O 2 20 PHE H 2.300 . 2.500 1.974 1.805 2.167 . 0 0 "[ . 1]" 1
171 2 7 GLU O 2 20 PHE N 3.300 2.500 3.500 2.901 2.796 2.985 . 0 0 "[ . 1]" 1
172 2 8 LYS H 2 8 LYS HA 2.000 . 3.000 3.029 2.884 3.070 0.070 1 0 "[ . 1]" 1
173 2 8 LYS H 2 8 LYS HB2 3.000 . 4.000 3.996 3.739 4.068 0.068 3 0 "[ . 1]" 1
174 2 8 LYS H 2 8 LYS HB3 3.000 . 4.000 3.229 2.651 3.381 . 0 0 "[ . 1]" 1
175 2 8 LYS H 2 8 LYS HE2 5.000 2.500 6.000 5.648 4.188 5.941 . 0 0 "[ . 1]" 1
176 2 8 LYS H 2 8 LYS HE3 5.000 2.500 6.000 5.110 4.699 5.700 . 0 0 "[ . 1]" 1
177 2 8 LYS HA 2 9 ARG H 2.000 . 3.000 2.312 2.248 2.396 . 0 0 "[ . 1]" 1
178 2 8 LYS HA 2 18 TYR H 4.000 . 5.000 5.021 4.948 5.114 0.114 1 0 "[ . 1]" 1
179 2 8 LYS HA 2 19 TYR HA 2.000 . 3.000 2.043 1.982 2.123 . 0 0 "[ . 1]" 1
180 2 8 LYS HA 2 19 TYR HD1 4.500 . 5.500 3.741 3.315 4.425 . 0 0 "[ . 1]" 1
181 2 8 LYS HA 2 20 PHE H 3.000 . 4.000 3.157 2.775 3.441 . 0 0 "[ . 1]" 1
182 2 8 LYS HB2 2 9 ARG H 4.000 . 5.000 3.307 3.144 3.462 . 0 0 "[ . 1]" 1
183 2 8 LYS HB2 2 19 TYR HD1 4.500 . 5.500 4.908 4.706 5.193 . 0 0 "[ . 1]" 1
184 2 8 LYS HB3 2 9 ARG H 4.000 . 5.000 4.264 4.110 4.483 . 0 0 "[ . 1]" 1
185 2 8 LYS HB3 2 19 TYR HD1 4.000 . 5.000 3.907 3.672 4.172 . 0 0 "[ . 1]" 1
186 2 8 LYS HD2 2 9 ARG H 3.000 . 4.000 4.005 3.650 4.111 0.111 6 0 "[ . 1]" 1
187 2 8 LYS HD3 2 9 ARG H 4.000 . 5.000 5.113 5.103 5.117 0.117 2 0 "[ . 1]" 1
188 2 9 ARG H 2 9 ARG HA 2.000 . 3.000 3.033 2.971 3.055 0.055 3 0 "[ . 1]" 1
189 2 9 ARG H 2 9 ARG HB2 3.000 . 4.000 3.012 2.796 3.140 . 0 0 "[ . 1]" 1
190 2 9 ARG H 2 9 ARG HB3 3.000 . 4.000 3.998 3.674 4.104 0.104 9 0 "[ . 1]" 1
191 2 9 ARG H 2 9 ARG HD2 4.500 . 5.500 5.565 5.204 5.618 0.118 6 0 "[ . 1]" 1
192 2 9 ARG H 2 9 ARG HG2 4.000 . 5.000 3.960 3.392 4.548 . 0 0 "[ . 1]" 1
193 2 9 ARG H 2 9 ARG HG3 4.000 . 5.000 3.874 3.492 4.711 . 0 0 "[ . 1]" 1
194 2 9 ARG H 2 10 MET H 3.000 . 4.000 4.054 3.865 4.127 0.127 1 0 "[ . 1]" 1
195 2 9 ARG H 2 18 TYR H 2.000 . 3.000 3.140 3.131 3.152 0.152 2 0 "[ . 1]" 1
196 2 9 ARG H 2 18 TYR O 2.300 . 2.500 2.570 2.157 2.624 0.124 3 0 "[ . 1]" 1
197 2 9 ARG H 2 19 TYR HA 3.000 . 4.000 3.067 2.683 3.323 . 0 0 "[ . 1]" 1
198 2 9 ARG H 2 20 PHE H 4.500 . 5.500 4.326 3.855 4.520 . 0 0 "[ . 1]" 1
199 2 9 ARG H 2 20 PHE HB3 4.000 . 5.000 4.885 4.629 5.103 0.103 1 0 "[ . 1]" 1
200 2 9 ARG HA 2 9 ARG HB2 3.000 . 4.000 3.060 3.002 3.082 . 0 0 "[ . 1]" 1
201 2 9 ARG HA 2 9 ARG HB3 3.000 . 4.000 2.527 2.455 2.783 . 0 0 "[ . 1]" 1
202 2 9 ARG HA 2 9 ARG HD2 4.000 . 5.000 4.237 2.906 4.579 . 0 0 "[ . 1]" 1
203 2 9 ARG HA 2 9 ARG HD3 3.000 . 4.000 3.590 2.401 3.958 . 0 0 "[ . 1]" 1
204 2 9 ARG HA 2 10 MET H 3.000 . 4.000 1.974 1.905 2.125 . 0 0 "[ . 1]" 1
205 2 9 ARG HA 2 18 TYR H 4.000 . 5.000 5.087 4.846 5.125 0.125 7 0 "[ . 1]" 1
206 2 9 ARG HB2 2 9 ARG HE 4.000 . 5.000 4.679 4.333 4.911 . 0 0 "[ . 1]" 1
207 2 9 ARG HB2 2 18 TYR H 4.500 . 5.500 3.993 2.903 4.243 . 0 0 "[ . 1]" 1
208 2 9 ARG HB3 2 9 ARG HE 4.000 . 5.000 4.666 4.326 4.811 . 0 0 "[ . 1]" 1
209 2 9 ARG HB3 2 18 TYR H 4.500 . 5.500 4.907 4.105 5.276 . 0 0 "[ . 1]" 1
210 2 9 ARG HD2 2 9 ARG HE 2.000 . 3.000 2.436 2.341 2.724 . 0 0 "[ . 1]" 1
211 2 9 ARG HD2 2 10 MET H 5.000 2.500 6.000 5.548 4.032 6.077 0.077 7 0 "[ . 1]" 1
212 2 9 ARG HD3 2 9 ARG HE 2.000 . 3.000 3.012 2.904 3.098 0.098 6 0 "[ . 1]" 1
213 2 9 ARG HD3 2 10 MET H 4.000 . 5.000 4.890 3.720 5.114 0.114 7 0 "[ . 1]" 1
214 2 9 ARG HE 2 9 ARG HG3 3.000 . 4.000 2.949 2.370 3.324 . 0 0 "[ . 1]" 1
215 2 9 ARG HG2 2 10 MET H 4.000 . 5.000 4.279 3.948 5.032 0.032 1 0 "[ . 1]" 1
216 2 9 ARG HG2 2 20 PHE H 4.500 . 5.500 5.262 3.616 5.614 0.114 10 0 "[ . 1]" 1
217 2 9 ARG HG2 2 20 PHE HB3 4.000 . 5.000 3.531 2.209 3.987 . 0 0 "[ . 1]" 1
218 2 9 ARG HG3 2 10 MET H 4.000 . 5.000 5.120 5.111 5.129 0.129 6 0 "[ . 1]" 1
219 2 9 ARG HG3 2 20 PHE H 4.000 . 5.000 4.295 3.915 5.101 0.101 6 0 "[ . 1]" 1
220 2 9 ARG HG3 2 20 PHE HA 5.000 2.500 6.000 4.741 4.547 5.126 . 0 0 "[ . 1]" 1
221 2 9 ARG HG3 2 20 PHE HB3 4.000 . 5.000 2.431 2.163 3.013 . 0 0 "[ . 1]" 1
222 2 9 ARG HG3 2 20 PHE QD 4.000 . 5.000 3.700 2.861 4.104 . 0 0 "[ . 1]" 1
223 2 9 ARG N 2 18 TYR O 3.300 2.500 3.500 3.441 3.091 3.497 . 0 0 "[ . 1]" 1
224 2 9 ARG O 2 18 TYR H 2.300 . 2.500 2.330 2.127 2.528 0.028 1 0 "[ . 1]" 1
225 2 9 ARG O 2 18 TYR N 3.300 2.500 3.500 2.873 2.787 3.019 . 0 0 "[ . 1]" 1
226 2 10 MET H 2 10 MET HA 2.000 . 3.000 2.962 2.871 3.064 0.064 6 0 "[ . 1]" 1
227 2 10 MET H 2 10 MET HB2 3.000 . 4.000 2.442 2.093 2.640 . 0 0 "[ . 1]" 1
228 2 10 MET H 2 10 MET HB3 3.000 . 4.000 3.224 2.106 3.812 . 0 0 "[ . 1]" 1
229 2 10 MET H 2 10 MET ME 5.000 2.500 6.000 4.959 4.541 5.041 . 0 0 "[ . 1]" 1
230 2 10 MET H 2 10 MET HG2 3.000 . 4.000 3.801 3.031 4.129 0.129 8 0 "[ . 1]" 1
231 2 10 MET H 2 10 MET HG3 4.000 . 5.000 3.779 2.661 4.666 . 0 0 "[ . 1]" 1
232 2 10 MET H 2 11 SER H 4.000 . 5.000 4.578 4.358 4.707 . 0 0 "[ . 1]" 1
233 2 10 MET HA 2 11 SER H 2.000 . 3.000 2.144 1.917 2.310 . 0 0 "[ . 1]" 1
234 2 10 MET HA 2 17 VAL MG2 4.500 . 5.500 4.406 4.050 4.703 . 0 0 "[ . 1]" 1
235 2 10 MET HA 2 18 TYR H 3.000 . 4.000 3.591 3.302 3.764 . 0 0 "[ . 1]" 1
236 2 10 MET HB2 2 11 SER H 4.000 . 5.000 4.481 4.246 4.733 . 0 0 "[ . 1]" 1
237 2 10 MET HB3 2 11 SER H 4.000 . 5.000 3.823 3.166 4.701 . 0 0 "[ . 1]" 1
238 2 10 MET ME 2 11 SER H 4.000 . 5.000 3.188 2.222 4.094 . 0 0 "[ . 1]" 1
239 2 10 MET ME 2 18 TYR H 5.000 2.500 6.000 4.884 4.548 5.011 . 0 0 "[ . 1]" 1
240 2 10 MET HG2 2 11 SER H 4.000 . 5.000 4.161 3.863 5.101 0.101 6 0 "[ . 1]" 1
241 2 10 MET HG3 2 11 SER H 4.000 . 5.000 4.943 3.330 5.129 0.129 7 0 "[ . 1]" 1
242 2 11 SER H 2 11 SER HA 2.000 . 3.000 2.355 2.263 2.416 . 0 0 "[ . 1]" 1
243 2 11 SER H 2 11 SER HB2 3.000 . 4.000 3.905 3.216 4.116 0.116 8 0 "[ . 1]" 1
244 2 11 SER H 2 11 SER HB3 3.000 . 4.000 3.228 2.635 4.121 0.121 9 0 "[ . 1]" 1
245 2 11 SER H 2 12 ARG H 4.500 . 5.500 3.840 2.990 4.781 . 0 0 "[ . 1]" 1
246 2 11 SER H 2 15 GLY H 5.000 2.500 6.000 5.836 4.826 6.110 0.110 8 0 "[ . 1]" 1
247 2 11 SER H 2 16 ARG H 3.000 . 4.000 3.997 3.467 4.107 0.107 6 0 "[ . 1]" 1
248 2 11 SER H 2 16 ARG O 2.300 . 2.500 2.513 2.086 2.625 0.125 7 0 "[ . 1]" 1
249 2 11 SER H 2 17 VAL HA 3.000 . 4.000 4.154 4.149 4.160 0.160 10 0 "[ . 1]" 1
250 2 11 SER H 2 17 VAL HB 4.000 . 5.000 3.769 1.894 4.496 0.106 5 0 "[ . 1]" 1
251 2 11 SER H 2 17 VAL MG1 5.000 2.500 6.000 2.623 2.247 3.729 0.253 1 0 "[ . 1]" 1
252 2 11 SER H 2 17 VAL MG2 5.000 2.500 6.000 4.168 3.400 4.526 . 0 0 "[ . 1]" 1
253 2 11 SER H 2 18 TYR H 4.000 . 5.000 4.328 4.053 4.585 . 0 0 "[ . 1]" 1
254 2 11 SER HA 2 12 ARG H 3.000 . 4.000 2.372 2.105 2.798 . 0 0 "[ . 1]" 1
255 2 11 SER QB 2 12 ARG H 4.000 . 5.000 3.372 2.148 4.111 . 0 0 "[ . 1]" 1
256 2 11 SER HB2 2 16 ARG H 4.000 . 5.000 3.376 2.336 4.904 . 0 0 "[ . 1]" 1
257 2 11 SER HB3 2 15 GLY H 4.500 . 5.500 4.101 2.377 5.473 . 0 0 "[ . 1]" 1
258 2 11 SER HB3 2 16 ARG H 3.000 . 4.000 3.463 1.935 4.120 0.120 4 0 "[ . 1]" 1
259 2 11 SER N 2 16 ARG O 3.300 2.500 3.500 3.042 2.801 3.192 . 0 0 "[ . 1]" 1
260 2 12 ARG H 2 12 ARG HA 2.000 . 3.000 2.997 2.828 3.099 0.099 3 0 "[ . 1]" 1
261 2 12 ARG H 2 12 ARG HB2 3.000 . 4.000 3.142 2.344 4.124 0.124 8 0 "[ . 1]" 1
262 2 12 ARG H 2 12 ARG HB3 4.000 . 5.000 3.612 2.512 4.205 . 0 0 "[ . 1]" 1
263 2 12 ARG H 2 12 ARG HD2 4.500 . 5.500 5.034 4.492 5.614 0.114 1 0 "[ . 1]" 1
264 2 12 ARG H 2 12 ARG HD3 4.500 . 5.500 4.802 4.027 5.620 0.120 5 0 "[ . 1]" 1
265 2 12 ARG H 2 12 ARG HG3 3.000 . 4.000 3.308 2.420 4.115 0.115 4 0 "[ . 1]" 1
266 2 12 ARG H 2 13 SER H 3.000 . 4.000 2.657 2.269 3.178 . 0 0 "[ . 1]" 1
267 2 12 ARG HD2 2 12 ARG HE 2.000 . 3.000 2.852 2.384 3.106 0.106 3 0 "[ . 1]" 1
268 2 12 ARG HD3 2 12 ARG HE 2.000 . 3.000 2.768 2.503 3.094 0.094 5 0 "[ . 1]" 1
269 2 13 SER HA 2 14 SER H 4.000 . 5.000 2.851 2.105 3.577 . 0 0 "[ . 1]" 1
270 2 14 SER H 2 14 SER HA 3.000 . 4.000 2.848 2.334 3.070 . 0 0 "[ . 1]" 1
271 2 14 SER H 2 14 SER HB2 3.000 . 4.000 3.192 2.459 4.024 0.024 7 0 "[ . 1]" 1
272 2 14 SER H 2 14 SER HB3 4.000 . 5.000 3.277 2.498 4.159 . 0 0 "[ . 1]" 1
273 2 14 SER H 2 15 GLY H 3.000 . 4.000 3.331 2.206 4.115 0.115 9 0 "[ . 1]" 1
274 2 14 SER HA 2 14 SER HB2 3.000 . 4.000 2.709 2.388 3.095 . 0 0 "[ . 1]" 1
275 2 14 SER HA 2 14 SER HB3 3.000 . 4.000 2.676 2.452 3.096 . 0 0 "[ . 1]" 1
276 2 14 SER HA 2 15 GLY H 3.000 . 4.000 2.965 2.120 3.580 . 0 0 "[ . 1]" 1
277 2 15 GLY H 2 15 GLY HA2 2.000 . 3.000 2.661 2.481 3.048 0.048 8 0 "[ . 1]" 1
278 2 15 GLY H 2 15 GLY HA3 2.000 . 3.000 3.011 2.838 3.092 0.092 6 0 "[ . 1]" 1
279 2 15 GLY H 2 16 ARG H 2.000 . 3.000 2.435 2.259 2.691 . 0 0 "[ . 1]" 1
280 2 15 GLY H 2 16 ARG HA 4.000 . 5.000 5.043 4.763 5.129 0.129 2 0 "[ . 1]" 1
281 2 15 GLY HA2 2 16 ARG H 3.000 . 4.000 2.800 2.506 3.363 . 0 0 "[ . 1]" 1
282 2 15 GLY HA3 2 16 ARG H 3.000 . 4.000 3.544 3.342 3.599 . 0 0 "[ . 1]" 1
283 2 16 ARG H 2 16 ARG HA 2.000 . 3.000 3.014 2.970 3.062 0.062 3 0 "[ . 1]" 1
284 2 16 ARG H 2 16 ARG HB2 3.000 . 4.000 2.875 2.541 3.163 . 0 0 "[ . 1]" 1
285 2 16 ARG H 2 16 ARG HB3 3.000 . 4.000 3.871 3.454 4.099 0.099 4 0 "[ . 1]" 1
286 2 16 ARG H 2 16 ARG HD2 3.000 . 4.000 3.563 3.109 4.105 0.105 9 0 "[ . 1]" 1
287 2 16 ARG H 2 16 ARG HD3 3.000 . 4.000 3.863 2.497 4.125 0.125 8 0 "[ . 1]" 1
288 2 16 ARG H 2 16 ARG HG2 4.000 . 5.000 4.917 4.513 5.075 0.075 4 0 "[ . 1]" 1
289 2 16 ARG H 2 17 VAL H 4.000 . 5.000 4.378 4.224 4.529 . 0 0 "[ . 1]" 1
290 2 16 ARG HA 2 16 ARG HD2 4.000 . 5.000 3.375 2.119 4.374 . 0 0 "[ . 1]" 1
291 2 16 ARG HA 2 16 ARG HD3 4.000 . 5.000 4.085 3.370 4.547 . 0 0 "[ . 1]" 1
292 2 16 ARG HA 2 16 ARG HG2 3.000 . 4.000 3.635 3.494 3.690 . 0 0 "[ . 1]" 1
293 2 16 ARG HA 2 17 VAL H 2.000 . 3.000 2.131 1.910 2.426 . 0 0 "[ . 1]" 1
294 2 16 ARG HA 2 17 VAL HB 4.000 . 5.000 4.992 4.695 5.133 0.133 6 0 "[ . 1]" 1
295 2 16 ARG HB2 2 17 VAL H 4.500 . 5.500 3.917 3.479 4.518 . 0 0 "[ . 1]" 1
296 2 16 ARG HB3 2 16 ARG HE 4.500 . 5.500 4.756 3.515 5.191 . 0 0 "[ . 1]" 1
297 2 16 ARG HB3 2 29 TRP HZ3 3.000 . 4.000 2.927 2.223 3.822 . 0 0 "[ . 1]" 1
298 2 16 ARG HD2 2 16 ARG HE 2.000 . 3.000 2.918 2.410 3.094 0.094 5 0 "[ . 1]" 1
299 2 16 ARG HD3 2 16 ARG HE 3.000 . 4.000 2.727 2.421 3.054 . 0 0 "[ . 1]" 1
300 2 16 ARG HD3 2 17 VAL H 4.500 . 5.500 5.551 5.006 5.632 0.132 1 0 "[ . 1]" 1
301 2 16 ARG HE 2 16 ARG HG2 3.000 . 4.000 2.785 2.326 3.343 . 0 0 "[ . 1]" 1
302 2 16 ARG HE 2 16 ARG HG3 3.000 . 4.000 3.188 2.579 3.611 . 0 0 "[ . 1]" 1
303 2 16 ARG HG2 2 17 VAL H 4.000 . 5.000 4.535 4.204 5.101 0.101 3 0 "[ . 1]" 1
304 2 16 ARG HG2 2 29 TRP HZ3 3.000 . 4.000 3.236 2.297 4.017 0.017 7 0 "[ . 1]" 1
305 2 16 ARG HG3 2 17 VAL H 3.000 . 4.000 3.796 2.741 4.108 0.108 9 0 "[ . 1]" 1
306 2 16 ARG HG3 2 29 TRP HZ3 4.000 . 5.000 3.566 2.305 5.103 0.103 1 0 "[ . 1]" 1
307 2 17 VAL H 2 17 VAL HA 2.000 . 3.000 2.239 2.159 2.309 . 0 0 "[ . 1]" 1
308 2 17 VAL H 2 17 VAL HB 3.000 . 4.000 3.495 3.214 3.676 . 0 0 "[ . 1]" 1
309 2 17 VAL H 2 17 VAL MG1 4.000 . 5.000 4.022 3.872 4.103 . 0 0 "[ . 1]" 1
310 2 17 VAL H 2 17 VAL MG2 4.000 . 5.000 3.744 2.490 4.194 . 0 0 "[ . 1]" 1
311 2 17 VAL HA 2 18 TYR H 2.000 . 3.000 2.678 2.468 3.060 0.060 1 0 "[ . 1]" 1
312 2 17 VAL HB 2 18 TYR H 3.000 . 4.000 3.996 3.543 4.126 0.126 8 0 "[ . 1]" 1
313 2 17 VAL MG1 2 18 TYR H 4.000 . 5.000 2.956 1.876 3.467 0.124 5 0 "[ . 1]" 1
314 2 17 VAL MG2 2 18 TYR H 4.000 . 5.000 2.520 1.914 4.311 0.086 7 0 "[ . 1]" 1
315 2 17 VAL MG2 2 29 TRP HA 5.000 2.500 6.000 3.479 2.716 4.960 . 0 0 "[ . 1]" 1
316 2 18 TYR H 2 18 TYR HA 2.000 . 3.000 2.354 2.274 2.437 . 0 0 "[ . 1]" 1
317 2 18 TYR H 2 18 TYR HB2 3.000 . 4.000 4.092 3.663 4.149 0.149 10 0 "[ . 1]" 1
318 2 18 TYR H 2 18 TYR HB3 3.000 . 4.000 3.861 3.786 4.126 0.126 1 0 "[ . 1]" 1
319 2 18 TYR H 2 18 TYR QD 4.000 . 5.000 3.998 3.911 4.054 . 0 0 "[ . 1]" 1
320 2 18 TYR H 2 18 TYR QE 4.000 . 5.000 4.953 4.926 4.972 . 0 0 "[ . 1]" 1
321 2 18 TYR H 2 19 TYR H 4.500 . 5.500 1.938 1.884 2.314 0.116 7 0 "[ . 1]" 1
322 2 18 TYR HA 2 19 TYR H 2.000 . 3.000 3.137 3.122 3.189 0.189 1 0 "[ . 1]" 1
323 2 18 TYR HB2 2 18 TYR HD1 3.000 . 4.000 2.731 2.557 3.773 . 0 0 "[ . 1]" 1
324 2 18 TYR HB2 2 19 TYR H 4.000 . 5.000 4.224 2.715 4.511 . 0 0 "[ . 1]" 1
325 2 18 TYR HB3 2 18 TYR QD 4.000 . 5.000 2.413 2.378 2.543 . 0 0 "[ . 1]" 1
326 2 19 TYR H 2 19 TYR HA 3.000 . 4.000 3.045 2.998 3.092 . 0 0 "[ . 1]" 1
327 2 19 TYR H 2 19 TYR HB2 3.000 . 4.000 2.895 2.757 3.112 . 0 0 "[ . 1]" 1
328 2 19 TYR H 2 19 TYR HB3 3.000 . 4.000 3.931 3.822 4.048 0.048 7 0 "[ . 1]" 1
329 2 19 TYR H 2 19 TYR QD 4.000 . 5.000 4.007 3.580 4.297 . 0 0 "[ . 1]" 1
330 2 19 TYR H 2 20 PHE H 4.000 . 5.000 4.437 4.344 4.597 . 0 0 "[ . 1]" 1
331 2 19 TYR H 2 28 GLN H 3.000 . 4.000 4.102 4.018 4.123 0.123 1 0 "[ . 1]" 1
332 2 19 TYR H 2 28 GLN HG2 4.000 . 5.000 4.905 4.577 5.108 0.108 4 0 "[ . 1]" 1
333 2 19 TYR H 2 28 GLN O 2.300 . 2.500 2.507 2.348 2.601 0.101 7 0 "[ . 1]" 1
334 2 19 TYR H 2 29 TRP HA 4.000 . 5.000 3.192 2.913 3.481 . 0 0 "[ . 1]" 1
335 2 19 TYR HA 2 19 TYR QD 4.000 . 5.000 2.667 2.369 2.963 . 0 0 "[ . 1]" 1
336 2 19 TYR HA 2 19 TYR QE 5.000 2.500 6.000 4.510 4.343 4.743 . 0 0 "[ . 1]" 1
337 2 19 TYR HA 2 20 PHE H 2.000 . 3.000 2.108 2.033 2.168 . 0 0 "[ . 1]" 1
338 2 19 TYR HB2 2 19 TYR QD 3.000 . 4.000 2.390 2.335 2.497 . 0 0 "[ . 1]" 1
339 2 19 TYR HB2 2 20 PHE H 3.000 . 4.000 4.113 4.056 4.133 0.133 9 0 "[ . 1]" 1
340 2 19 TYR HB3 2 19 TYR QD 4.000 . 5.000 2.666 2.447 2.811 . 0 0 "[ . 1]" 1
341 2 19 TYR HB3 2 27 SER HA 5.000 2.500 6.000 5.947 5.455 6.107 0.107 6 0 "[ . 1]" 1
342 2 19 TYR HB3 2 28 GLN H 4.000 . 5.000 4.648 4.260 4.829 . 0 0 "[ . 1]" 1
343 2 19 TYR HB3 2 30 GLU HA 4.500 . 5.500 5.617 5.606 5.643 0.143 10 0 "[ . 1]" 1
344 2 19 TYR QD 2 30 GLU H 4.000 . 5.000 3.552 2.887 4.097 . 0 0 "[ . 1]" 1
345 2 19 TYR QD 2 31 ARG H 5.000 2.500 6.000 3.896 2.596 4.475 . 0 0 "[ . 1]" 1
346 2 19 TYR QD 2 32 PRO HD2 5.000 2.500 6.000 4.101 3.538 4.396 . 0 0 "[ . 1]" 1
347 2 19 TYR HD1 2 31 ARG HG3 4.500 . 5.500 5.608 5.600 5.615 0.115 4 0 "[ . 1]" 1
348 2 19 TYR HD2 2 30 GLU HA 4.500 . 5.500 3.616 3.096 3.950 . 0 0 "[ . 1]" 1
349 2 19 TYR QE 2 31 ARG H 5.000 2.500 6.000 4.200 3.549 4.844 . 0 0 "[ . 1]" 1
350 2 19 TYR QE 2 31 ARG HB3 5.000 2.500 6.000 4.026 3.000 4.635 . 0 0 "[ . 1]" 1
351 2 19 TYR QE 2 31 ARG HD3 5.000 2.500 6.000 4.325 3.486 5.234 . 0 0 "[ . 1]" 1
352 2 19 TYR HE1 2 31 ARG HG3 4.000 . 5.000 4.253 3.973 4.480 . 0 0 "[ . 1]" 1
353 2 19 TYR HE2 2 30 GLU HA 4.000 . 5.000 4.587 3.255 5.106 0.106 6 0 "[ . 1]" 1
354 2 19 TYR HE2 2 31 ARG HB2 4.000 . 5.000 2.899 2.376 4.342 . 0 0 "[ . 1]" 1
355 2 19 TYR N 2 28 GLN O 3.300 2.500 3.500 3.295 3.102 3.432 . 0 0 "[ . 1]" 1
356 2 19 TYR O 2 28 GLN H 2.300 . 2.500 2.078 1.933 2.227 . 0 0 "[ . 1]" 1
357 2 19 TYR O 2 28 GLN N 3.300 2.500 3.500 3.047 2.903 3.183 . 0 0 "[ . 1]" 1
358 2 20 PHE H 2 20 PHE HA 2.000 . 3.000 3.052 3.033 3.078 0.078 10 0 "[ . 1]" 1
359 2 20 PHE H 2 20 PHE HB2 3.000 . 4.000 3.375 3.299 3.418 . 0 0 "[ . 1]" 1
360 2 20 PHE H 2 20 PHE HB3 3.000 . 4.000 2.834 2.734 2.947 . 0 0 "[ . 1]" 1
361 2 20 PHE H 2 21 ASN H 4.000 . 5.000 4.335 4.234 4.448 . 0 0 "[ . 1]" 1
362 2 20 PHE HA 2 20 PHE QD 5.000 2.500 6.000 3.065 2.880 3.313 . 0 0 "[ . 1]" 1
363 2 20 PHE HA 2 20 PHE QE 5.000 2.500 6.000 4.678 4.410 4.880 . 0 0 "[ . 1]" 1
364 2 20 PHE HA 2 21 ASN H 2.000 . 3.000 2.204 2.186 2.233 . 0 0 "[ . 1]" 1
365 2 20 PHE HA 2 21 ASN HB2 4.000 . 5.000 4.477 4.376 4.535 . 0 0 "[ . 1]" 1
366 2 20 PHE HA 2 21 ASN HB3 5.000 2.500 6.000 4.956 4.720 5.085 . 0 0 "[ . 1]" 1
367 2 20 PHE HA 2 26 ALA MB 5.000 2.500 6.000 4.568 4.192 4.987 . 0 0 "[ . 1]" 1
368 2 20 PHE HA 2 27 SER HA 2.000 . 3.000 2.462 2.161 2.759 . 0 0 "[ . 1]" 1
369 2 20 PHE HA 2 27 SER QB 4.500 . 5.000 4.197 3.732 4.583 . 0 0 "[ . 1]" 1
370 2 20 PHE HA 2 28 GLN H 4.000 . 5.000 3.065 2.905 3.265 . 0 0 "[ . 1]" 1
371 2 20 PHE HA 2 28 GLN HG2 4.500 . 5.500 3.650 2.923 4.339 . 0 0 "[ . 1]" 1
372 2 20 PHE HB2 2 20 PHE QD 4.000 . 5.000 2.434 2.346 2.509 . 0 0 "[ . 1]" 1
373 2 20 PHE HB2 2 27 SER HA 4.500 . 5.500 3.324 2.956 3.714 . 0 0 "[ . 1]" 1
374 2 20 PHE HB2 2 27 SER QB 4.500 . 5.500 4.022 3.670 4.229 . 0 0 "[ . 1]" 1
375 2 20 PHE HB3 2 20 PHE QD 4.000 . 5.000 2.466 2.375 2.528 . 0 0 "[ . 1]" 1
376 2 20 PHE HB3 2 20 PHE QE 4.500 . 5.500 4.344 4.279 4.374 . 0 0 "[ . 1]" 1
377 2 20 PHE HB3 2 27 SER HA 5.000 2.500 6.000 4.721 4.422 4.959 . 0 0 "[ . 1]" 1
378 2 20 PHE QD 2 21 ASN H 5.000 2.500 6.000 3.727 3.553 3.904 . 0 0 "[ . 1]" 1
379 2 20 PHE QD 2 22 HIS H 4.000 . 5.000 4.111 3.991 4.251 . 0 0 "[ . 1]" 1
380 2 20 PHE QD 2 22 HIS HA 4.000 . 5.000 3.747 3.351 4.018 . 0 0 "[ . 1]" 1
381 2 20 PHE QD 2 22 HIS QB 5.000 2.500 6.000 4.355 3.825 4.724 . 0 0 "[ . 1]" 1
382 2 20 PHE QD 2 27 SER H 4.500 . 5.500 4.305 3.665 5.208 . 0 0 "[ . 1]" 1
383 2 20 PHE QD 2 27 SER QB 4.000 . 5.000 2.490 2.178 3.211 . 0 0 "[ . 1]" 1
384 2 20 PHE QE 2 22 HIS H 4.500 . 5.500 4.346 4.136 4.757 . 0 0 "[ . 1]" 1
385 2 20 PHE QE 2 22 HIS HA 3.000 . 4.000 2.360 2.245 2.436 . 0 0 "[ . 1]" 1
386 2 20 PHE QE 2 22 HIS QB 4.000 . 5.000 3.861 3.710 4.144 . 0 0 "[ . 1]" 1
387 2 20 PHE QE 2 25 ASN H 4.500 . 5.500 5.137 4.658 5.351 . 0 0 "[ . 1]" 1
388 2 20 PHE QE 2 27 SER HA 4.500 . 5.500 3.989 3.557 4.619 . 0 0 "[ . 1]" 1
389 2 20 PHE HZ 2 25 ASN HA 4.500 . 5.500 3.460 3.097 4.101 . 0 0 "[ . 1]" 1
390 2 21 ASN H 2 21 ASN HA 2.000 . 3.000 3.058 3.031 3.078 0.078 8 0 "[ . 1]" 1
391 2 21 ASN H 2 21 ASN HB2 2.000 . 3.000 2.624 2.479 2.725 . 0 0 "[ . 1]" 1
392 2 21 ASN H 2 21 ASN HB3 2.000 . 3.000 2.774 2.550 2.889 . 0 0 "[ . 1]" 1
393 2 21 ASN H 2 26 ALA H 4.000 . 5.000 3.299 2.994 4.448 . 0 0 "[ . 1]" 1
394 2 21 ASN H 2 26 ALA O 2.300 . 2.500 1.873 1.819 1.934 . 0 0 "[ . 1]" 1
395 2 21 ASN H 2 27 SER HA 3.000 . 4.000 3.686 3.058 3.964 . 0 0 "[ . 1]" 1
396 2 21 ASN HB2 2 21 ASN HD21 4.000 . 5.000 3.502 3.440 3.578 . 0 0 "[ . 1]" 1
397 2 21 ASN HB2 2 21 ASN HD22 4.000 . 5.000 4.017 3.977 4.044 . 0 0 "[ . 1]" 1
398 2 21 ASN HB2 2 22 HIS H 4.000 . 5.000 4.510 4.475 4.566 . 0 0 "[ . 1]" 1
399 2 21 ASN HB2 2 24 THR H 4.000 . 5.000 5.034 4.761 5.113 0.113 7 0 "[ . 1]" 1
400 2 21 ASN HB2 2 25 ASN H 4.000 . 5.000 4.872 4.517 5.105 0.105 9 0 "[ . 1]" 1
401 2 21 ASN HB2 2 26 ALA H 3.000 . 4.000 4.060 3.686 4.108 0.108 2 0 "[ . 1]" 1
402 2 21 ASN HB3 2 21 ASN HD21 2.000 . 3.000 3.099 3.021 3.113 0.113 3 0 "[ . 1]" 1
403 2 21 ASN HB3 2 21 ASN HD22 3.000 . 4.000 3.878 3.836 3.919 . 0 0 "[ . 1]" 1
404 2 21 ASN HB3 2 22 HIS H 4.000 . 5.000 4.148 4.020 4.349 . 0 0 "[ . 1]" 1
405 2 21 ASN HB3 2 24 THR H 4.500 . 5.500 3.781 3.418 3.965 . 0 0 "[ . 1]" 1
406 2 21 ASN HB3 2 24 THR MG 5.000 2.500 6.000 3.173 2.184 3.667 0.316 8 0 "[ . 1]" 1
407 2 21 ASN HB3 2 25 ASN H 4.000 . 5.000 3.179 2.806 3.387 . 0 0 "[ . 1]" 1
408 2 21 ASN HB3 2 26 ALA H 4.000 . 5.000 2.671 2.248 2.858 . 0 0 "[ . 1]" 1
409 2 21 ASN HB3 2 26 ALA MB 5.000 2.500 6.000 2.434 2.310 2.706 0.190 5 0 "[ . 1]" 1
410 2 21 ASN HD21 2 22 HIS QB 5.000 2.500 6.000 3.904 3.718 4.072 . 0 0 "[ . 1]" 1
411 2 21 ASN HD21 2 23 ILE H 4.000 . 5.000 2.494 2.155 2.745 . 0 0 "[ . 1]" 1
412 2 21 ASN HD22 2 24 THR HB 4.000 . 5.000 4.209 3.683 5.116 0.116 7 0 "[ . 1]" 1
413 2 21 ASN HD22 2 24 THR MG 5.000 2.500 6.000 4.211 2.448 5.095 0.052 6 0 "[ . 1]" 1
414 2 21 ASN N 2 26 ALA O 3.300 2.500 3.500 2.887 2.839 2.937 . 0 0 "[ . 1]" 1
415 2 21 ASN O 2 25 ASN H 2.300 . 2.500 2.509 2.275 2.604 0.104 8 0 "[ . 1]" 1
416 2 21 ASN O 2 25 ASN N 3.300 2.500 3.500 3.148 3.012 3.258 . 0 0 "[ . 1]" 1
417 2 22 HIS H 2 22 HIS HA 2.000 . 3.000 3.032 2.966 3.056 0.056 10 0 "[ . 1]" 1
418 2 22 HIS H 2 22 HIS QB 3.000 . 4.000 2.321 2.112 2.400 . 0 0 "[ . 1]" 1
419 2 22 HIS H 2 22 HIS HD2 3.000 . 4.000 3.397 2.738 4.123 0.123 7 0 "[ . 1]" 1
420 2 22 HIS H 2 23 ILE H 4.000 . 5.000 2.560 2.486 2.759 . 0 0 "[ . 1]" 1
421 2 22 HIS H 2 23 ILE MD 5.000 2.500 6.000 5.061 4.962 5.083 . 0 0 "[ . 1]" 1
422 2 22 HIS H 2 23 ILE HG12 4.000 . 5.000 4.056 3.680 5.111 0.111 5 0 "[ . 1]" 1
423 2 22 HIS H 2 23 ILE HG13 5.000 2.500 6.000 4.787 3.784 6.064 0.064 4 0 "[ . 1]" 1
424 2 22 HIS HA 2 22 HIS HE1 4.000 . 5.000 4.964 4.519 5.106 0.106 3 0 "[ . 1]" 1
425 2 22 HIS HA 2 23 ILE H 3.000 . 4.000 3.548 3.482 3.600 . 0 0 "[ . 1]" 1
426 2 22 HIS QB 2 23 ILE H 4.000 . 4.000 2.592 2.419 2.767 . 0 0 "[ . 1]" 1
427 2 23 ILE H 2 23 ILE HB 3.000 . 4.000 3.469 2.748 3.763 . 0 0 "[ . 1]" 1
428 2 23 ILE H 2 23 ILE MD 4.000 . 5.000 3.654 3.015 3.770 . 0 0 "[ . 1]" 1
429 2 23 ILE H 2 23 ILE HG12 2.000 . 3.000 2.252 1.978 3.044 0.044 9 0 "[ . 1]" 1
430 2 23 ILE H 2 23 ILE HG13 3.000 . 4.000 2.942 1.913 3.720 . 0 0 "[ . 1]" 1
431 2 23 ILE H 2 23 ILE MG 4.000 . 5.000 3.015 2.532 3.948 . 0 0 "[ . 1]" 1
432 2 23 ILE H 2 24 THR H 3.000 . 4.000 2.898 2.633 3.071 . 0 0 "[ . 1]" 1
433 2 23 ILE H 2 25 ASN H 3.000 . 4.000 4.075 3.963 4.110 0.110 6 0 "[ . 1]" 1
434 2 23 ILE HB 2 24 THR H 3.000 . 4.000 3.321 2.415 3.859 . 0 0 "[ . 1]" 1
435 2 23 ILE HG12 2 24 THR H 4.000 . 5.000 3.549 2.910 4.930 . 0 0 "[ . 1]" 1
436 2 24 THR H 2 24 THR HA 2.000 . 3.000 2.998 2.928 3.068 0.068 8 0 "[ . 1]" 1
437 2 24 THR H 2 24 THR HB 4.000 . 5.000 2.770 2.368 3.764 . 0 0 "[ . 1]" 1
438 2 24 THR H 2 24 THR MG 4.000 . 5.000 3.324 2.230 3.850 . 0 0 "[ . 1]" 1
439 2 24 THR H 2 25 ASN H 2.000 . 3.000 2.633 2.312 2.853 . 0 0 "[ . 1]" 1
440 2 24 THR HA 2 24 THR HB 2.000 . 3.000 2.855 2.374 3.088 0.088 4 0 "[ . 1]" 1
441 2 24 THR HB 2 26 ALA H 3.000 . 4.000 3.950 3.586 4.135 0.135 9 0 "[ . 1]" 1
442 2 24 THR HB 2 26 ALA MB 5.000 2.500 6.000 3.455 3.126 4.365 . 0 0 "[ . 1]" 1
443 2 24 THR MG 2 25 ASN H 3.000 . 4.000 3.324 3.112 3.497 . 0 0 "[ . 1]" 1
444 2 24 THR MG 2 26 ALA H 5.000 2.500 6.000 3.528 1.697 4.575 0.803 9 2 "[ . -+1]" 1
445 2 25 ASN H 2 25 ASN HA 2.000 . 3.000 2.368 2.288 2.529 . 0 0 "[ . 1]" 1
446 2 25 ASN H 2 25 ASN HB2 4.000 . 5.000 3.588 3.129 4.196 . 0 0 "[ . 1]" 1
447 2 25 ASN H 2 25 ASN HB3 3.000 . 4.000 3.826 3.406 4.136 0.136 1 0 "[ . 1]" 1
448 2 25 ASN H 2 26 ALA H 3.000 . 4.000 2.696 2.377 2.906 . 0 0 "[ . 1]" 1
449 2 25 ASN H 2 26 ALA MB 5.000 2.500 6.000 4.003 3.726 4.619 . 0 0 "[ . 1]" 1
450 2 25 ASN HB2 2 25 ASN HD21 3.000 . 4.000 2.868 2.246 3.556 . 0 0 "[ . 1]" 1
451 2 25 ASN HB2 2 25 ASN HD22 4.000 . 5.000 3.802 3.551 4.074 . 0 0 "[ . 1]" 1
452 2 25 ASN HB2 2 26 ALA H 4.000 . 5.000 4.547 4.092 4.672 . 0 0 "[ . 1]" 1
453 2 25 ASN HB3 2 25 ASN HD21 3.000 . 4.000 2.964 2.237 3.517 . 0 0 "[ . 1]" 1
454 2 25 ASN HB3 2 25 ASN HD22 4.000 . 5.000 3.831 3.570 4.066 . 0 0 "[ . 1]" 1
455 2 25 ASN HB3 2 26 ALA H 4.000 . 5.000 4.456 4.101 4.665 . 0 0 "[ . 1]" 1
456 2 26 ALA H 2 26 ALA HA 2.000 . 3.000 3.042 2.889 3.088 0.088 7 0 "[ . 1]" 1
457 2 26 ALA H 2 26 ALA MB 4.000 . 5.000 2.560 2.318 2.687 . 0 0 "[ . 1]" 1
458 2 26 ALA H 2 27 SER H 4.000 . 5.000 4.362 4.097 4.821 . 0 0 "[ . 1]" 1
459 2 26 ALA HA 2 27 SER H 2.000 . 3.000 2.170 2.104 2.364 . 0 0 "[ . 1]" 1
460 2 26 ALA HA 2 27 SER HA 4.000 . 5.000 4.577 4.558 4.604 . 0 0 "[ . 1]" 1
461 2 26 ALA MB 2 27 SER H 4.000 . 5.000 3.228 2.624 3.506 . 0 0 "[ . 1]" 1
462 2 26 ALA MB 2 27 SER HA 4.500 . 5.500 4.414 4.240 4.500 . 0 0 "[ . 1]" 1
463 2 26 ALA MB 2 28 GLN HG2 5.000 2.500 6.000 4.611 3.963 4.952 . 0 0 "[ . 1]" 1
464 2 27 SER H 2 27 SER HA 2.000 . 3.000 3.043 3.007 3.076 0.076 9 0 "[ . 1]" 1
465 2 27 SER H 2 27 SER QB 3.000 . 4.000 2.820 2.516 3.195 . 0 0 "[ . 1]" 1
466 2 27 SER H 2 28 GLN H 4.500 . 5.500 4.554 4.261 4.713 . 0 0 "[ . 1]" 1
467 2 27 SER HA 2 28 GLN H 2.000 . 3.000 2.171 2.086 2.315 . 0 0 "[ . 1]" 1
468 2 27 SER HA 2 28 GLN HA 4.000 . 5.000 4.497 4.438 4.546 . 0 0 "[ . 1]" 1
469 2 27 SER HA 2 28 GLN HG2 4.500 . 5.500 4.179 3.308 4.900 . 0 0 "[ . 1]" 1
470 2 27 SER QB 2 28 GLN H 3.000 . 4.000 3.094 3.024 3.195 . 0 0 "[ . 1]" 1
471 2 28 GLN H 2 28 GLN HG2 4.000 . 5.000 2.915 2.467 3.262 . 0 0 "[ . 1]" 1
472 2 28 GLN H 2 29 TRP H 4.500 . 5.500 4.391 4.319 4.451 . 0 0 "[ . 1]" 1
473 2 28 GLN HA 2 28 GLN HE22 5.000 2.500 6.000 6.094 5.973 6.115 0.115 2 0 "[ . 1]" 1
474 2 28 GLN HA 2 29 TRP H 2.000 . 3.000 2.389 2.240 2.561 . 0 0 "[ . 1]" 1
475 2 28 GLN HA 2 30 GLU H 4.000 . 5.000 4.296 4.027 4.604 . 0 0 "[ . 1]" 1
476 2 28 GLN HB2 2 28 GLN HE21 2.000 . 3.000 2.889 2.193 3.116 0.116 8 0 "[ . 1]" 1
477 2 28 GLN HB2 2 29 TRP H 3.000 . 4.000 2.168 2.011 2.407 . 0 0 "[ . 1]" 1
478 2 28 GLN HB2 2 30 GLU H 4.000 . 5.000 3.103 2.430 3.455 . 0 0 "[ . 1]" 1
479 2 28 GLN HB3 2 28 GLN HE21 3.000 . 4.000 3.702 3.308 4.077 0.077 4 0 "[ . 1]" 1
480 2 28 GLN HB3 2 29 TRP H 3.000 . 4.000 3.571 3.425 3.788 . 0 0 "[ . 1]" 1
481 2 28 GLN HB3 2 30 GLU H 4.000 . 5.000 4.401 3.916 4.745 . 0 0 "[ . 1]" 1
482 2 28 GLN HE21 2 28 GLN HG2 3.000 . 4.000 3.475 3.328 3.651 . 0 0 "[ . 1]" 1
483 2 28 GLN HE21 2 28 GLN HG3 3.000 . 4.000 2.347 2.119 2.644 . 0 0 "[ . 1]" 1
484 2 28 GLN HE21 2 30 GLU H 4.000 . 5.000 2.984 2.087 4.253 . 0 0 "[ . 1]" 1
485 2 28 GLN HE21 2 30 GLU HB2 4.000 . 5.000 2.990 1.891 4.654 0.109 3 0 "[ . 1]" 1
486 2 28 GLN HE21 2 30 GLU HB3 4.000 . 5.000 2.788 1.891 4.453 0.109 6 0 "[ . 1]" 1
487 2 28 GLN HE21 2 30 GLU HG2 4.000 . 5.000 3.738 2.578 4.678 . 0 0 "[ . 1]" 1
488 2 28 GLN HE21 2 32 PRO HA 4.500 . 5.500 5.586 5.454 5.614 0.114 5 0 "[ . 1]" 1
489 2 28 GLN HE22 2 28 GLN HG2 4.000 . 5.000 4.080 4.051 4.147 . 0 0 "[ . 1]" 1
490 2 28 GLN HE22 2 28 GLN HG3 3.000 . 4.000 3.576 3.455 3.698 . 0 0 "[ . 1]" 1
491 2 28 GLN HE22 2 30 GLU HB2 4.000 . 5.000 4.157 3.067 5.117 0.117 6 0 "[ . 1]" 1
492 2 28 GLN HE22 2 30 GLU HB3 4.000 . 5.000 3.807 2.163 5.117 0.117 10 0 "[ . 1]" 1
493 2 28 GLN HE22 2 30 GLU HG2 4.000 . 5.000 4.613 2.599 5.142 0.142 4 0 "[ . 1]" 1
494 2 28 GLN HE22 2 32 PRO HA 4.500 . 5.500 4.916 3.947 5.601 0.101 9 0 "[ . 1]" 1
495 2 28 GLN HG2 2 29 TRP H 3.000 . 4.000 4.120 4.112 4.129 0.129 4 0 "[ . 1]" 1
496 2 28 GLN HG3 2 29 TRP H 4.000 . 5.000 3.171 2.854 3.615 . 0 0 "[ . 1]" 1
497 2 29 TRP H 2 29 TRP HA 2.000 . 3.000 3.023 2.960 3.072 0.072 9 0 "[ . 1]" 1
498 2 29 TRP H 2 29 TRP HB2 3.000 . 4.000 4.096 4.046 4.117 0.117 7 0 "[ . 1]" 1
499 2 29 TRP H 2 29 TRP HB3 3.000 . 4.000 3.390 3.317 3.467 . 0 0 "[ . 1]" 1
500 2 29 TRP H 2 29 TRP HD1 3.000 . 4.000 2.632 2.235 3.227 . 0 0 "[ . 1]" 1
501 2 29 TRP H 2 30 GLU H 2.000 . 3.000 2.504 2.006 2.834 . 0 0 "[ . 1]" 1
502 2 29 TRP HA 2 29 TRP HE3 4.000 . 5.000 4.731 4.635 4.861 . 0 0 "[ . 1]" 1
503 2 29 TRP HA 2 30 GLU H 3.000 . 4.000 2.746 2.419 3.219 . 0 0 "[ . 1]" 1
504 2 29 TRP HB2 2 29 TRP HD1 3.000 . 4.000 3.853 3.657 3.963 . 0 0 "[ . 1]" 1
505 2 29 TRP HB2 2 29 TRP HE3 3.000 . 4.000 2.632 2.359 3.082 . 0 0 "[ . 1]" 1
506 2 29 TRP HB2 2 30 GLU H 4.000 . 5.000 4.519 4.343 4.647 . 0 0 "[ . 1]" 1
507 2 29 TRP HB3 2 29 TRP HD1 3.000 . 4.000 3.554 3.168 3.810 . 0 0 "[ . 1]" 1
508 2 29 TRP HB3 2 29 TRP HE1 4.000 . 5.000 5.071 4.809 5.125 0.125 2 0 "[ . 1]" 1
509 2 29 TRP HB3 2 29 TRP HE3 4.000 . 5.000 2.949 2.498 3.459 . 0 0 "[ . 1]" 1
510 2 29 TRP HB3 2 30 GLU H 4.000 . 5.000 4.608 4.552 4.685 . 0 0 "[ . 1]" 1
511 2 30 GLU H 2 30 GLU HA 2.000 . 3.000 3.005 2.967 3.052 0.052 8 0 "[ . 1]" 1
512 2 30 GLU H 2 30 GLU HB2 3.000 . 4.000 3.141 2.811 3.817 . 0 0 "[ . 1]" 1
513 2 30 GLU H 2 30 GLU HB3 3.000 . 4.000 3.277 2.727 3.942 . 0 0 "[ . 1]" 1
514 2 30 GLU H 2 30 GLU HG2 4.000 . 5.000 4.219 2.772 5.120 0.120 2 0 "[ . 1]" 1
515 2 30 GLU H 2 30 GLU HG3 4.000 . 5.000 4.524 3.541 5.123 0.123 1 0 "[ . 1]" 1
516 2 30 GLU H 2 31 ARG H 4.000 . 5.000 4.268 3.023 4.546 . 0 0 "[ . 1]" 1
517 2 30 GLU H 2 31 ARG HA 4.500 . 5.500 5.070 4.762 5.271 . 0 0 "[ . 1]" 1
518 2 30 GLU HA 2 31 ARG H 2.000 . 3.000 2.216 2.075 2.647 . 0 0 "[ . 1]" 1
519 2 30 GLU HA 2 31 ARG HA 4.000 . 5.000 4.446 4.252 4.641 . 0 0 "[ . 1]" 1
520 2 30 GLU HA 2 31 ARG HB2 4.000 . 5.000 4.331 3.710 5.110 0.110 4 0 "[ . 1]" 1
521 2 30 GLU HA 2 31 ARG HB3 4.000 . 5.000 4.341 3.593 4.766 . 0 0 "[ . 1]" 1
522 2 30 GLU HB2 2 31 ARG H 4.000 . 5.000 3.939 3.574 4.501 . 0 0 "[ . 1]" 1
523 2 30 GLU HB3 2 31 ARG H 4.000 . 5.000 3.443 2.801 4.675 . 0 0 "[ . 1]" 1
524 2 30 GLU HG2 2 31 ARG H 4.000 . 5.000 3.968 2.801 5.114 0.114 3 0 "[ . 1]" 1
525 2 31 ARG H 2 31 ARG HA 2.000 . 3.000 2.948 2.279 3.053 0.053 6 0 "[ . 1]" 1
526 2 31 ARG H 2 31 ARG HB2 3.000 . 4.000 2.786 2.350 3.648 . 0 0 "[ . 1]" 1
527 2 31 ARG H 2 31 ARG HB3 3.000 . 4.000 2.478 2.110 2.789 . 0 0 "[ . 1]" 1
528 2 31 ARG H 2 31 ARG HD2 5.000 2.500 6.000 5.667 5.051 6.112 0.112 3 0 "[ . 1]" 1
529 2 31 ARG H 2 31 ARG HD3 4.000 . 5.000 4.789 4.253 5.033 0.033 6 0 "[ . 1]" 1
530 2 31 ARG H 2 31 ARG HG2 4.000 . 5.000 4.553 4.330 4.947 . 0 0 "[ . 1]" 1
531 2 31 ARG H 2 31 ARG HG3 4.000 . 5.000 4.677 4.460 5.102 0.102 10 0 "[ . 1]" 1
532 2 31 ARG H 2 32 PRO HD2 4.500 . 5.500 5.002 4.723 5.369 . 0 0 "[ . 1]" 1
533 2 31 ARG HA 2 32 PRO HD2 2.000 . 3.000 2.266 2.093 2.534 . 0 0 "[ . 1]" 1
534 2 31 ARG HA 2 32 PRO HG3 4.500 . 5.500 4.623 4.489 4.709 . 0 0 "[ . 1]" 1
535 2 31 ARG HA 2 33 SER H 3.000 . 4.000 4.114 4.100 4.136 0.136 7 0 "[ . 1]" 1
536 2 31 ARG HB2 2 31 ARG HE 4.000 . 5.000 4.158 3.613 4.689 . 0 0 "[ . 1]" 1
537 2 31 ARG HB2 2 32 PRO HD2 4.500 . 5.500 3.911 2.475 4.709 . 0 0 "[ . 1]" 1
538 2 31 ARG HB3 2 31 ARG HE 4.000 . 5.000 3.378 2.711 4.835 . 0 0 "[ . 1]" 1
539 2 31 ARG HB3 2 32 PRO HD2 4.500 . 5.500 4.381 3.989 4.856 . 0 0 "[ . 1]" 1
540 2 31 ARG HD2 2 31 ARG HE 2.000 . 3.000 2.825 2.479 3.102 0.102 10 0 "[ . 1]" 1
541 2 31 ARG HD3 2 31 ARG HE 2.000 . 3.000 2.849 2.423 3.095 0.095 2 0 "[ . 1]" 1
542 2 31 ARG HE 2 31 ARG HG2 2.000 . 3.000 2.912 2.434 3.117 0.117 5 0 "[ . 1]" 1
543 2 31 ARG HE 2 31 ARG HG3 5.000 2.500 6.000 3.649 2.749 4.014 . 0 0 "[ . 1]" 1
544 2 31 ARG HG2 2 33 SER HA 4.000 . 5.000 3.491 2.752 4.651 . 0 0 "[ . 1]" 1
545 2 31 ARG HG3 2 32 PRO HD2 4.000 . 5.000 2.944 2.364 3.536 . 0 0 "[ . 1]" 1
546 2 32 PRO HB3 2 32 PRO HD2 4.000 . 5.000 4.021 3.968 4.111 . 0 0 "[ . 1]" 1
547 2 32 PRO HD2 2 32 PRO HG2 2.000 . 3.000 2.347 2.312 2.427 . 0 0 "[ . 1]" 1
548 2 32 PRO HD2 2 33 SER H 3.000 . 4.000 3.523 2.877 4.102 0.102 1 0 "[ . 1]" 1
549 2 32 PRO HG2 2 34 GLY H 4.000 . 5.000 4.829 3.876 5.122 0.122 7 0 "[ . 1]" 1
550 2 33 SER H 2 33 SER HB2 4.000 . 5.000 3.268 2.597 4.170 . 0 0 "[ . 1]" 1
551 2 33 SER H 2 34 GLY H 3.000 . 4.000 3.586 2.490 3.978 . 0 0 "[ . 1]" 1
552 2 33 SER HA 2 34 GLY H 3.000 . 4.000 3.478 3.145 3.576 . 0 0 "[ . 1]" 1
553 2 33 SER HA 2 35 ASN H 4.500 . 5.500 4.434 3.565 5.602 0.102 4 0 "[ . 1]" 1
554 2 33 SER HB2 2 34 GLY H 3.000 . 4.000 3.678 2.895 4.139 0.139 3 0 "[ . 1]" 1
555 2 33 SER HB3 2 34 GLY H 3.000 . 4.000 3.267 2.415 4.106 0.106 7 0 "[ . 1]" 1
556 2 33 SER HB3 2 35 ASN H 4.000 . 5.000 4.337 3.246 5.110 0.110 7 0 "[ . 1]" 1
557 2 34 GLY H 2 34 GLY HA2 2.000 . 3.000 2.660 2.435 3.103 0.103 3 0 "[ . 1]" 1
558 2 34 GLY H 2 34 GLY HA3 2.000 . 3.000 2.866 2.435 3.104 0.104 5 0 "[ . 1]" 1
559 2 34 GLY HA2 2 35 ASN H 3.000 . 4.000 3.000 2.344 3.539 . 0 0 "[ . 1]" 1
560 2 34 GLY HA3 2 35 ASN H 3.000 . 4.000 3.137 2.463 3.569 . 0 0 "[ . 1]" 1
561 2 35 ASN H 2 35 ASN HA 2.000 . 3.000 3.058 3.009 3.098 0.098 7 0 "[ . 1]" 1
562 2 35 ASN H 2 35 ASN HB2 2.000 . 3.000 2.777 2.500 3.103 0.103 3 0 "[ . 1]" 1
563 2 35 ASN H 2 35 ASN HB3 4.000 . 5.000 3.477 2.559 4.028 . 0 0 "[ . 1]" 1
564 2 35 ASN HB2 2 35 ASN HD21 4.000 . 5.000 3.137 2.304 3.554 . 0 0 "[ . 1]" 1
565 2 36 SER H 2 36 SER HB2 3.000 . 4.000 2.971 2.409 4.010 0.010 9 0 "[ . 1]" 1
566 2 36 SER HA 2 38 SER H 4.000 . 5.000 4.859 4.069 5.112 0.112 4 0 "[ . 1]" 1
567 2 37 SER H 2 37 SER HA 2.000 . 3.000 3.018 2.917 3.094 0.094 7 0 "[ . 1]" 1
568 2 37 SER H 2 37 SER HB2 3.000 . 4.000 3.149 2.395 3.843 . 0 0 "[ . 1]" 1
569 2 37 SER H 2 37 SER HB3 3.000 . 4.000 3.670 2.957 4.108 0.108 8 0 "[ . 1]" 1
570 2 37 SER HB2 2 38 SER H 3.000 . 4.000 3.794 2.611 4.139 0.139 2 0 "[ . 1]" 1
571 2 37 SER HB3 2 38 SER H 3.000 . 4.000 3.760 3.365 4.128 0.128 5 0 "[ . 1]" 1
572 2 38 SER H 2 38 SER HB3 3.000 . 4.000 3.422 2.904 4.059 0.059 3 0 "[ . 1]" 1
573 2 38 SER H 2 39 GLY HA2 4.000 . 5.000 4.868 4.543 5.107 0.107 4 0 "[ . 1]" 1
574 2 38 SER H 2 39 GLY HA3 4.000 . 5.000 4.801 4.046 5.129 0.129 10 0 "[ . 1]" 1
575 2 39 GLY H 2 39 GLY HA2 2.000 . 3.000 2.762 2.555 3.044 0.044 3 0 "[ . 1]" 1
576 2 39 GLY H 2 39 GLY HA3 2.000 . 3.000 2.961 2.749 3.044 0.044 8 0 "[ . 1]" 1
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