NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482671 |
1rqu   |
4429 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rqu
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 640
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 7.638
_Distance_constraint_stats_list.Viol_max 1.013
_Distance_constraint_stats_list.Viol_rms 0.0600
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0119
_Distance_constraint_stats_list.Viol_average_violations_only 0.0899
_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 SER 0.177 0.106 1 0 "[ ]"
1 2 ILE 0.174 0.071 1 0 "[ ]"
1 3 THR 0.157 0.095 1 0 "[ ]"
1 4 LYS 0.218 0.113 1 0 "[ ]"
1 5 ASP 0.400 0.113 1 0 "[ ]"
1 6 GLN 0.042 0.024 1 0 "[ ]"
1 7 ILE 1.245 0.807 1 1 [+]
1 8 ILE 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.051 0.051 1 0 "[ ]"
1 10 ALA 0.965 0.807 1 1 [+]
1 11 VAL 0.579 0.353 1 0 "[ ]"
1 12 ALA 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.012 0.012 1 0 "[ ]"
1 14 MET 0.061 0.027 1 0 "[ ]"
1 15 SER 0.159 0.088 1 0 "[ ]"
1 16 VAL 0.031 0.031 1 0 "[ ]"
1 17 MET 0.087 0.087 1 0 "[ ]"
1 18 ASP 0.087 0.087 1 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 VAL 0.000 0.000 . 0 "[ ]"
1 21 GLU 0.137 0.092 1 0 "[ ]"
1 22 LEU 0.326 0.099 1 0 "[ ]"
1 23 ILE 0.188 0.099 1 0 "[ ]"
1 24 SER 0.150 0.088 1 0 "[ ]"
1 25 ALA 0.165 0.088 1 0 "[ ]"
1 26 MET 0.337 0.116 1 0 "[ ]"
1 27 GLU 0.181 0.116 1 0 "[ ]"
1 28 GLU 0.041 0.027 1 0 "[ ]"
1 29 LYS 0.060 0.060 1 0 "[ ]"
1 30 PHE 0.173 0.107 1 0 "[ ]"
1 31 GLY 0.006 0.006 1 0 "[ ]"
1 32 VAL 0.000 0.000 . 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 ALA 0.000 0.000 . 0 "[ ]"
1 35 ALA 0.403 0.403 1 0 "[ ]"
1 36 ALA 1.564 1.013 1 1 [+]
1 37 ALA 1.013 1.013 1 1 [+]
2 1 SER 0.084 0.084 1 0 "[ ]"
2 2 ILE 0.076 0.076 1 0 "[ ]"
2 3 THR 0.168 0.096 1 0 "[ ]"
2 4 LYS 0.273 0.118 1 0 "[ ]"
2 5 ASP 0.391 0.118 1 0 "[ ]"
2 6 GLN 0.016 0.016 1 0 "[ ]"
2 7 ILE 0.016 0.016 1 0 "[ ]"
2 8 ILE 0.066 0.066 1 0 "[ ]"
2 9 GLU 0.049 0.049 1 0 "[ ]"
2 10 ALA 0.162 0.103 1 0 "[ ]"
2 11 VAL 0.279 0.115 1 0 "[ ]"
2 12 ALA 0.000 0.000 . 0 "[ ]"
2 13 ALA 0.021 0.021 1 0 "[ ]"
2 14 MET 0.159 0.052 1 0 "[ ]"
2 15 SER 0.170 0.086 1 0 "[ ]"
2 16 VAL 0.000 0.000 . 0 "[ ]"
2 17 MET 0.139 0.090 1 0 "[ ]"
2 18 ASP 0.090 0.090 1 0 "[ ]"
2 19 VAL 0.073 0.073 1 0 "[ ]"
2 20 VAL 0.043 0.043 1 0 "[ ]"
2 21 GLU 0.123 0.091 1 0 "[ ]"
2 22 LEU 0.234 0.105 1 0 "[ ]"
2 23 ILE 0.345 0.121 1 0 "[ ]"
2 24 SER 0.166 0.084 1 0 "[ ]"
2 25 ALA 0.221 0.088 1 0 "[ ]"
2 26 MET 0.353 0.120 1 0 "[ ]"
2 27 GLU 0.249 0.120 1 0 "[ ]"
2 28 GLU 0.129 0.088 1 0 "[ ]"
2 29 LYS 0.059 0.059 1 0 "[ ]"
2 30 PHE 0.189 0.116 1 0 "[ ]"
2 31 GLY 0.001 0.001 1 0 "[ ]"
2 32 VAL 0.000 0.000 . 0 "[ ]"
2 33 SER 0.000 0.000 . 0 "[ ]"
2 34 ALA 0.000 0.000 . 0 "[ ]"
2 35 ALA 0.062 0.062 1 0 "[ ]"
2 36 ALA 0.026 0.026 1 0 "[ ]"
2 37 ALA 0.026 0.026 1 0 "[ ]"
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 SER H1 1 1 SER HA . . 2.800 2.906 2.906 2.906 0.106 1 0 "[ ]" 1
2 1 1 SER H1 1 1 SER QB . . 3.710 2.633 2.633 2.633 . 0 0 "[ ]" 1
3 1 1 SER H1 1 2 ILE H . . 3.240 3.311 3.311 3.311 0.071 1 0 "[ ]" 1
4 1 1 SER HA 1 2 ILE H . . 2.620 2.479 2.479 2.479 . 0 0 "[ ]" 1
5 1 2 ILE H 1 2 ILE HB . . 2.740 2.581 2.581 2.581 . 0 0 "[ ]" 1
6 1 2 ILE H 1 2 ILE HG12 . . 3.330 3.371 3.371 3.371 0.041 1 0 "[ ]" 1
7 1 2 ILE H 1 2 ILE HG13 . . 3.330 2.211 2.211 2.211 . 0 0 "[ ]" 1
8 1 2 ILE H 1 2 ILE QG . . 3.040 2.183 2.183 2.183 . 0 0 "[ ]" 1
9 1 2 ILE H 1 2 ILE MD . . 5.660 3.707 3.707 3.707 . 0 0 "[ ]" 1
10 1 2 ILE H 1 3 THR H . . 3.390 3.432 3.432 3.432 0.042 1 0 "[ ]" 1
11 1 2 ILE HA 1 3 THR H . . 2.590 2.610 2.610 2.610 0.020 1 0 "[ ]" 1
12 1 2 ILE HB 1 3 THR H . . 4.630 4.470 4.470 4.470 . 0 0 "[ ]" 1
13 1 2 ILE MG 1 3 THR H . . 4.920 4.011 4.011 4.011 . 0 0 "[ ]" 1
14 1 3 THR H 1 3 THR HA . . 2.930 2.870 2.870 2.870 . 0 0 "[ ]" 1
15 1 3 THR H 1 3 THR MG . . 4.080 2.129 2.129 2.129 . 0 0 "[ ]" 1
16 1 3 THR H 1 6 GLN QB . . 4.760 3.165 3.165 3.165 . 0 0 "[ ]" 1
17 1 3 THR H 1 6 GLN QG . . 4.450 2.469 2.469 2.469 . 0 0 "[ ]" 1
18 1 3 THR HA 1 4 LYS H . . 2.710 2.497 2.497 2.497 . 0 0 "[ ]" 1
19 1 3 THR HA 1 5 ASP H . . 4.320 4.415 4.415 4.415 0.095 1 0 "[ ]" 1
20 1 3 THR HB 1 4 LYS H . . 2.710 2.461 2.461 2.461 . 0 0 "[ ]" 1
21 1 3 THR HB 1 5 ASP H . . 2.930 2.870 2.870 2.870 . 0 0 "[ ]" 1
22 1 3 THR MG 1 4 LYS H . . 6.280 3.808 3.808 3.808 . 0 0 "[ ]" 1
23 1 3 THR MG 1 5 ASP H . . 6.530 4.486 4.486 4.486 . 0 0 "[ ]" 1
24 1 4 LYS H 1 4 LYS HB2 . . 2.930 2.121 2.121 2.121 . 0 0 "[ ]" 1
25 1 4 LYS H 1 4 LYS HB3 . . 3.420 3.413 3.413 3.413 . 0 0 "[ ]" 1
26 1 4 LYS H 1 5 ASP H . . 3.390 2.457 2.457 2.457 . 0 0 "[ ]" 1
27 1 4 LYS H 2 14 MET ME . . 6.160 4.591 4.591 4.591 . 0 0 "[ ]" 1
28 1 4 LYS HA 1 7 ILE H . . 4.010 3.285 3.285 3.285 . 0 0 "[ ]" 1
29 1 4 LYS HB2 1 5 ASP H . . 3.270 2.981 2.981 2.981 . 0 0 "[ ]" 1
30 1 4 LYS HB3 1 5 ASP H . . 3.300 3.413 3.413 3.413 0.113 1 0 "[ ]" 1
31 1 4 LYS HB3 2 22 LEU H . . 4.600 4.705 4.705 4.705 0.105 1 0 "[ ]" 1
32 1 4 LYS QG 1 5 ASP H . . 6.380 4.517 4.517 4.517 . 0 0 "[ ]" 1
33 1 4 LYS QD 1 5 ASP H . . 6.380 5.109 5.109 5.109 . 0 0 "[ ]" 1
34 1 4 LYS QD 2 22 LEU H . . 6.380 3.932 3.932 3.932 . 0 0 "[ ]" 1
35 1 5 ASP H 1 5 ASP HA . . 2.900 2.720 2.720 2.720 . 0 0 "[ ]" 1
36 1 5 ASP H 1 5 ASP HB2 . . 2.680 2.253 2.253 2.253 . 0 0 "[ ]" 1
37 1 5 ASP H 1 5 ASP HB3 . . 3.390 3.502 3.502 3.502 0.112 1 0 "[ ]" 1
38 1 5 ASP H 1 6 GLN H . . 2.740 2.758 2.758 2.758 0.018 1 0 "[ ]" 1
39 1 5 ASP HA 1 7 ILE H . . 4.010 4.072 4.072 4.072 0.062 1 0 "[ ]" 1
40 1 5 ASP HA 1 8 ILE H . . 3.980 3.285 3.285 3.285 . 0 0 "[ ]" 1
41 1 5 ASP HB2 1 6 GLN H . . 3.950 2.637 2.637 2.637 . 0 0 "[ ]" 1
42 1 5 ASP HB3 1 6 GLN H . . 4.450 3.348 3.348 3.348 . 0 0 "[ ]" 1
43 1 6 GLN H 1 6 GLN QG . . 3.960 2.748 2.748 2.748 . 0 0 "[ ]" 1
44 1 6 GLN H 1 7 ILE H . . 3.080 2.662 2.662 2.662 . 0 0 "[ ]" 1
45 1 6 GLN HA 1 7 ILE H . . 3.520 3.544 3.544 3.544 0.024 1 0 "[ ]" 1
46 1 6 GLN HA 1 9 GLU H . . 3.580 3.449 3.449 3.449 . 0 0 "[ ]" 1
47 1 6 GLN QB 1 8 ILE H . . 5.350 4.933 4.933 4.933 . 0 0 "[ ]" 1
48 1 6 GLN QG 1 7 ILE H . . 5.630 2.125 2.125 2.125 . 0 0 "[ ]" 1
49 1 7 ILE H 1 7 ILE HB . . 2.550 2.208 2.208 2.208 . 0 0 "[ ]" 1
50 1 7 ILE H 1 8 ILE H . . 3.480 2.460 2.460 2.460 . 0 0 "[ ]" 1
51 1 7 ILE HB 1 8 ILE H . . 3.170 3.144 3.144 3.144 . 0 0 "[ ]" 1
52 1 8 ILE H 1 8 ILE HB . . 2.620 2.430 2.430 2.430 . 0 0 "[ ]" 1
53 1 8 ILE H 1 8 ILE HG12 . . 3.140 2.050 2.050 2.050 . 0 0 "[ ]" 1
54 1 8 ILE H 1 8 ILE HG13 . . 4.040 3.499 3.499 3.499 . 0 0 "[ ]" 1
55 1 8 ILE H 1 9 GLU H . . 3.020 2.669 2.669 2.669 . 0 0 "[ ]" 1
56 1 8 ILE H 2 25 ALA MB . . 6.120 4.983 4.983 4.983 . 0 0 "[ ]" 1
57 1 8 ILE HA 1 11 VAL H . . 4.510 3.499 3.499 3.499 . 0 0 "[ ]" 1
58 1 8 ILE HA 2 30 PHE QE . . 7.620 3.988 3.988 3.988 . 0 0 "[ ]" 1
59 1 8 ILE HB 1 9 GLU H . . 2.740 2.479 2.479 2.479 . 0 0 "[ ]" 1
60 1 8 ILE MG 1 9 GLU H . . 5.010 3.354 3.354 3.354 . 0 0 "[ ]" 1
61 1 8 ILE MG 2 26 MET H . . 5.660 3.806 3.806 3.806 . 0 0 "[ ]" 1
62 1 8 ILE MG 2 30 PHE H . . 6.530 4.801 4.801 4.801 . 0 0 "[ ]" 1
63 1 8 ILE MG 2 30 PHE QD . . 8.650 4.168 4.168 4.168 . 0 0 "[ ]" 1
64 1 8 ILE MG 2 30 PHE QE . . 7.940 3.053 3.053 3.053 . 0 0 "[ ]" 1
65 1 8 ILE MG 2 30 PHE HZ . . 5.160 4.222 4.222 4.222 . 0 0 "[ ]" 1
66 1 8 ILE MD 1 9 GLU H . . 5.910 4.626 4.626 4.626 . 0 0 "[ ]" 1
67 1 8 ILE MD 2 25 ALA H . . 6.530 3.598 3.598 3.598 . 0 0 "[ ]" 1
68 1 8 ILE MD 2 26 MET H . . 5.190 2.489 2.489 2.489 . 0 0 "[ ]" 1
69 1 8 ILE MD 2 27 GLU H . . 6.530 4.872 4.872 4.872 . 0 0 "[ ]" 1
70 1 8 ILE MD 2 29 LYS H . . 6.530 5.278 5.278 5.278 . 0 0 "[ ]" 1
71 1 8 ILE MD 2 30 PHE QD . . 8.650 4.886 4.886 4.886 . 0 0 "[ ]" 1
72 1 8 ILE MD 2 30 PHE QE . . 8.650 4.066 4.066 4.066 . 0 0 "[ ]" 1
73 1 9 GLU H 1 9 GLU HA . . 2.900 2.790 2.790 2.790 . 0 0 "[ ]" 1
74 1 9 GLU H 1 9 GLU QB . . 3.680 2.424 2.424 2.424 . 0 0 "[ ]" 1
75 1 9 GLU H 1 9 GLU HG2 . . 5.470 2.140 2.140 2.140 . 0 0 "[ ]" 1
76 1 9 GLU H 1 9 GLU HG3 . . 5.470 3.249 3.249 3.249 . 0 0 "[ ]" 1
77 1 9 GLU H 1 9 GLU QG . . 5.120 2.112 2.112 2.112 . 0 0 "[ ]" 1
78 1 9 GLU H 1 10 ALA H . . 3.240 2.608 2.608 2.608 . 0 0 "[ ]" 1
79 1 9 GLU HA 1 10 ALA H . . 3.390 3.441 3.441 3.441 0.051 1 0 "[ ]" 1
80 1 9 GLU HA 1 12 ALA H . . 3.580 3.102 3.102 3.102 . 0 0 "[ ]" 1
81 1 9 GLU QB 1 10 ALA H . . 4.080 3.807 3.807 3.807 . 0 0 "[ ]" 1
82 1 9 GLU QB 1 11 VAL H . . 5.910 5.326 5.326 5.326 . 0 0 "[ ]" 1
83 1 10 ALA H 1 10 ALA MB . . 3.550 2.185 2.185 2.185 . 0 0 "[ ]" 1
84 1 10 ALA H 1 11 VAL H . . 2.930 2.487 2.487 2.487 . 0 0 "[ ]" 1
85 1 10 ALA H 1 11 VAL HB . . 4.320 4.403 4.403 4.403 0.083 1 0 "[ ]" 1
86 1 10 ALA H 1 11 VAL MG2 . . 5.810 4.364 4.364 4.364 . 0 0 "[ ]" 1
87 1 10 ALA HA 1 11 VAL H . . 3.580 3.604 3.604 3.604 0.024 1 0 "[ ]" 1
88 1 10 ALA HA 1 13 ALA H . . 4.170 3.618 3.618 3.618 . 0 0 "[ ]" 1
89 1 10 ALA MB 1 11 VAL H . . 3.950 2.582 2.582 2.582 . 0 0 "[ ]" 1
90 1 11 VAL H 1 11 VAL HB . . 2.710 2.170 2.170 2.170 . 0 0 "[ ]" 1
91 1 11 VAL H 1 11 VAL MG1 . . 4.480 3.616 3.616 3.616 . 0 0 "[ ]" 1
92 1 11 VAL H 1 11 VAL MG2 . . 4.020 2.579 2.579 2.579 . 0 0 "[ ]" 1
93 1 11 VAL H 1 12 ALA H . . 2.930 2.483 2.483 2.483 . 0 0 "[ ]" 1
94 1 11 VAL H 1 14 MET ME . . 6.530 5.313 5.313 5.313 . 0 0 "[ ]" 1
95 1 11 VAL H 2 22 LEU QD . . 8.100 5.402 5.402 5.402 . 0 0 "[ ]" 1
96 1 11 VAL H 2 26 MET HG2 . . 5.130 5.248 5.248 5.248 0.118 1 0 "[ ]" 1
97 1 11 VAL H 2 26 MET ME . . 6.530 3.766 3.766 3.766 . 0 0 "[ ]" 1
98 1 11 VAL HA 1 13 ALA H . . 4.170 3.401 3.401 3.401 . 0 0 "[ ]" 1
99 1 11 VAL HA 1 14 MET H . . 3.550 3.348 3.348 3.348 . 0 0 "[ ]" 1
100 1 11 VAL HB 1 12 ALA H . . 3.360 3.084 3.084 3.084 . 0 0 "[ ]" 1
101 1 11 VAL HB 2 30 PHE QE . . 7.620 2.975 2.975 2.975 . 0 0 "[ ]" 1
102 1 11 VAL MG1 1 12 ALA H . . 4.880 3.445 3.445 3.445 . 0 0 "[ ]" 1
103 1 11 VAL MG1 1 13 ALA H . . 6.530 4.373 4.373 4.373 . 0 0 "[ ]" 1
104 1 11 VAL MG1 2 30 PHE QD . . 8.650 3.862 3.862 3.862 . 0 0 "[ ]" 1
105 1 11 VAL MG1 2 30 PHE QE . . 8.530 2.595 2.595 2.595 . 0 0 "[ ]" 1
106 1 11 VAL MG1 2 30 PHE HZ . . 6.530 2.199 2.199 2.199 . 0 0 "[ ]" 1
107 1 11 VAL MG2 1 12 ALA H . . 6.190 4.204 4.204 4.204 . 0 0 "[ ]" 1
108 1 11 VAL MG2 2 30 PHE QE . . 8.650 4.100 4.100 4.100 . 0 0 "[ ]" 1
109 1 11 VAL MG2 2 30 PHE HZ . . 6.530 4.553 4.553 4.553 . 0 0 "[ ]" 1
110 1 12 ALA H 1 12 ALA MB . . 3.430 2.145 2.145 2.145 . 0 0 "[ ]" 1
111 1 12 ALA H 1 13 ALA H . . 3.170 2.559 2.559 2.559 . 0 0 "[ ]" 1
112 1 12 ALA H 2 26 MET ME . . 6.530 5.311 5.311 5.311 . 0 0 "[ ]" 1
113 1 12 ALA H 2 30 PHE HZ . . 5.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
114 1 12 ALA HA 1 13 ALA H . . 3.640 3.219 3.219 3.219 . 0 0 "[ ]" 1
115 1 12 ALA HA 1 14 MET H . . 4.350 4.039 4.039 4.039 . 0 0 "[ ]" 1
116 1 12 ALA HA 2 30 PHE HZ . . 5.500 2.523 2.523 2.523 . 0 0 "[ ]" 1
117 1 12 ALA MB 2 30 PHE QE . . 8.650 2.462 2.462 2.462 . 0 0 "[ ]" 1
118 1 12 ALA MB 2 30 PHE HZ . . 6.250 2.110 2.110 2.110 . 0 0 "[ ]" 1
119 1 13 ALA H 1 13 ALA MB . . 3.490 2.211 2.211 2.211 . 0 0 "[ ]" 1
120 1 13 ALA H 1 14 MET H . . 2.800 1.935 1.935 1.935 . 0 0 "[ ]" 1
121 1 13 ALA H 1 14 MET HB2 . . 4.510 4.178 4.178 4.178 . 0 0 "[ ]" 1
122 1 13 ALA HA 1 14 MET H . . 3.520 3.532 3.532 3.532 0.012 1 0 "[ ]" 1
123 1 14 MET H 1 14 MET HB2 . . 2.710 2.459 2.459 2.459 . 0 0 "[ ]" 1
124 1 14 MET H 1 14 MET HB3 . . 3.580 3.602 3.602 3.602 0.022 1 0 "[ ]" 1
125 1 14 MET H 1 14 MET HG2 . . 4.660 3.900 3.900 3.900 . 0 0 "[ ]" 1
126 1 14 MET H 1 14 MET HG3 . . 3.610 2.504 2.504 2.504 . 0 0 "[ ]" 1
127 1 14 MET H 1 14 MET ME . . 6.530 4.471 4.471 4.471 . 0 0 "[ ]" 1
128 1 14 MET H 1 15 SER H . . 4.850 4.549 4.549 4.549 . 0 0 "[ ]" 1
129 1 14 MET H 1 19 VAL MG2 . . 6.190 4.207 4.207 4.207 . 0 0 "[ ]" 1
130 1 14 MET HA 1 15 SER H . . 2.550 2.577 2.577 2.577 0.027 1 0 "[ ]" 1
131 1 14 MET HB2 1 15 SER H . . 3.450 3.445 3.445 3.445 . 0 0 "[ ]" 1
132 1 14 MET HB3 1 15 SER H . . 2.990 2.326 2.326 2.326 . 0 0 "[ ]" 1
133 1 14 MET HG2 1 15 SER H . . 4.320 4.200 4.200 4.200 . 0 0 "[ ]" 1
134 1 14 MET ME 2 4 LYS H . . 6.160 4.465 4.465 4.465 . 0 0 "[ ]" 1
135 1 15 SER H 1 15 SER HB2 . . 3.330 3.418 3.418 3.418 0.088 1 0 "[ ]" 1
136 1 15 SER H 1 15 SER HB3 . . 3.110 3.122 3.122 3.122 0.012 1 0 "[ ]" 1
137 1 15 SER H 1 16 VAL H . . 4.880 4.630 4.630 4.630 . 0 0 "[ ]" 1
138 1 15 SER H 1 18 ASP HB2 . . 3.830 3.082 3.082 3.082 . 0 0 "[ ]" 1
139 1 15 SER H 1 18 ASP HB3 . . 3.170 3.132 3.132 3.132 . 0 0 "[ ]" 1
140 1 15 SER H 1 19 VAL MG2 . . 6.530 4.451 4.451 4.451 . 0 0 "[ ]" 1
141 1 15 SER HA 1 16 VAL H . . 2.550 2.457 2.457 2.457 . 0 0 "[ ]" 1
142 1 15 SER HB2 1 16 VAL H . . 3.110 2.682 2.682 2.682 . 0 0 "[ ]" 1
143 1 15 SER HB3 1 16 VAL H . . 3.420 3.451 3.451 3.451 0.031 1 0 "[ ]" 1
144 1 15 SER HB3 1 17 MET H . . 4.260 4.226 4.226 4.226 . 0 0 "[ ]" 1
145 1 16 VAL H 1 16 VAL HB . . 2.710 2.479 2.479 2.479 . 0 0 "[ ]" 1
146 1 16 VAL H 1 16 VAL MG1 . . 4.790 3.701 3.701 3.701 . 0 0 "[ ]" 1
147 1 16 VAL H 1 16 VAL MG2 . . 4.200 2.059 2.059 2.059 . 0 0 "[ ]" 1
148 1 16 VAL H 1 17 MET H . . 3.270 2.811 2.811 2.811 . 0 0 "[ ]" 1
149 1 16 VAL HA 1 19 VAL H . . 3.450 3.257 3.257 3.257 . 0 0 "[ ]" 1
150 1 16 VAL HB 1 17 MET H . . 2.930 2.644 2.644 2.644 . 0 0 "[ ]" 1
151 1 16 VAL MG1 1 17 MET H . . 4.980 3.520 3.520 3.520 . 0 0 "[ ]" 1
152 1 16 VAL MG2 1 17 MET H . . 6.530 3.856 3.856 3.856 . 0 0 "[ ]" 1
153 1 16 VAL MG2 1 18 ASP H . . 6.530 5.439 5.439 5.439 . 0 0 "[ ]" 1
154 1 16 VAL MG2 2 30 PHE QD . . 8.650 5.773 5.773 5.773 . 0 0 "[ ]" 1
155 1 16 VAL MG2 2 30 PHE QE . . 8.650 5.598 5.598 5.598 . 0 0 "[ ]" 1
156 1 17 MET H 1 17 MET HA . . 2.830 2.715 2.715 2.715 . 0 0 "[ ]" 1
157 1 17 MET H 1 17 MET HB2 . . 2.710 2.147 2.147 2.147 . 0 0 "[ ]" 1
158 1 17 MET H 1 17 MET HG2 . . 5.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
159 1 17 MET H 1 17 MET HG3 . . 3.700 2.760 2.760 2.760 . 0 0 "[ ]" 1
160 1 17 MET H 1 18 ASP H . . 2.930 2.872 2.872 2.872 . 0 0 "[ ]" 1
161 1 17 MET HA 1 20 VAL H . . 3.830 3.198 3.198 3.198 . 0 0 "[ ]" 1
162 1 17 MET HB3 1 18 ASP H . . 3.110 3.197 3.197 3.197 0.087 1 0 "[ ]" 1
163 1 18 ASP H 1 18 ASP HB2 . . 3.240 2.365 2.365 2.365 . 0 0 "[ ]" 1
164 1 18 ASP H 1 18 ASP HB3 . . 2.930 2.547 2.547 2.547 . 0 0 "[ ]" 1
165 1 18 ASP H 1 19 VAL H . . 3.270 2.604 2.604 2.604 . 0 0 "[ ]" 1
166 1 18 ASP H 1 19 VAL MG2 . . 6.220 3.798 3.798 3.798 . 0 0 "[ ]" 1
167 1 18 ASP HA 1 21 GLU H . . 4.040 3.539 3.539 3.539 . 0 0 "[ ]" 1
168 1 18 ASP HB2 1 19 VAL H . . 4.290 3.969 3.969 3.969 . 0 0 "[ ]" 1
169 1 18 ASP HB3 1 19 VAL H . . 3.480 2.875 2.875 2.875 . 0 0 "[ ]" 1
170 1 19 VAL H 1 19 VAL HB . . 2.680 2.384 2.384 2.384 . 0 0 "[ ]" 1
171 1 19 VAL H 1 19 VAL MG2 . . 4.170 2.157 2.157 2.157 . 0 0 "[ ]" 1
172 1 19 VAL H 1 20 VAL H . . 3.300 2.415 2.415 2.415 . 0 0 "[ ]" 1
173 1 19 VAL H 1 20 VAL MG1 . . 6.530 5.564 5.564 5.564 . 0 0 "[ ]" 1
174 1 19 VAL H 1 20 VAL MG2 . . 6.340 4.095 4.095 4.095 . 0 0 "[ ]" 1
175 1 19 VAL HA 1 22 LEU H . . 3.580 3.389 3.389 3.389 . 0 0 "[ ]" 1
176 1 19 VAL HA 1 23 ILE H . . 3.980 3.785 3.785 3.785 . 0 0 "[ ]" 1
177 1 19 VAL HB 1 20 VAL H . . 2.990 2.777 2.777 2.777 . 0 0 "[ ]" 1
178 1 19 VAL MG2 1 20 VAL H . . 5.630 3.884 3.884 3.884 . 0 0 "[ ]" 1
179 1 19 VAL MG2 2 30 PHE QE . . 8.650 4.680 4.680 4.680 . 0 0 "[ ]" 1
180 1 19 VAL MG2 2 30 PHE HZ . . 5.910 4.723 4.723 4.723 . 0 0 "[ ]" 1
181 1 20 VAL H 1 20 VAL HB . . 2.740 2.219 2.219 2.219 . 0 0 "[ ]" 1
182 1 20 VAL H 1 20 VAL MG1 . . 4.570 3.648 3.648 3.648 . 0 0 "[ ]" 1
183 1 20 VAL H 1 20 VAL MG2 . . 3.990 2.386 2.386 2.386 . 0 0 "[ ]" 1
184 1 20 VAL H 1 21 GLU H . . 3.140 2.700 2.700 2.700 . 0 0 "[ ]" 1
185 1 20 VAL H 1 23 ILE HB . . 5.250 5.222 5.222 5.222 . 0 0 "[ ]" 1
186 1 20 VAL HA 1 23 ILE H . . 3.920 3.879 3.879 3.879 . 0 0 "[ ]" 1
187 1 20 VAL HB 1 21 GLU H . . 2.900 2.601 2.601 2.601 . 0 0 "[ ]" 1
188 1 20 VAL MG1 1 21 GLU H . . 5.320 3.035 3.035 3.035 . 0 0 "[ ]" 1
189 1 20 VAL MG2 1 21 GLU H . . 5.470 4.005 4.005 4.005 . 0 0 "[ ]" 1
190 1 21 GLU H 1 21 GLU HB2 . . 2.900 2.283 2.283 2.283 . 0 0 "[ ]" 1
191 1 21 GLU H 1 21 GLU HB3 . . 3.420 3.512 3.512 3.512 0.092 1 0 "[ ]" 1
192 1 21 GLU H 1 22 LEU H . . 2.860 2.812 2.812 2.812 . 0 0 "[ ]" 1
193 1 21 GLU H 1 22 LEU QD . . 7.940 5.567 5.567 5.567 . 0 0 "[ ]" 1
194 1 21 GLU HA 1 22 LEU H . . 3.580 3.625 3.625 3.625 0.045 1 0 "[ ]" 1
195 1 21 GLU HA 1 24 SER H . . 3.670 3.647 3.647 3.647 . 0 0 "[ ]" 1
196 1 21 GLU HB2 1 22 LEU H . . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 1
197 1 21 GLU HB3 1 22 LEU H . . 3.580 3.365 3.365 3.365 . 0 0 "[ ]" 1
198 1 22 LEU H 1 22 LEU HA . . 2.830 2.755 2.755 2.755 . 0 0 "[ ]" 1
199 1 22 LEU H 1 22 LEU HB2 . . 2.930 2.399 2.399 2.399 . 0 0 "[ ]" 1
200 1 22 LEU H 1 22 LEU HB3 . . 2.960 2.468 2.468 2.468 . 0 0 "[ ]" 1
201 1 22 LEU H 1 22 LEU HG . . 5.130 4.515 4.515 4.515 . 0 0 "[ ]" 1
202 1 22 LEU H 1 22 LEU MD1 . . 5.780 4.097 4.097 4.097 . 0 0 "[ ]" 1
203 1 22 LEU H 1 22 LEU MD2 . . 5.780 4.003 4.003 4.003 . 0 0 "[ ]" 1
204 1 22 LEU H 1 23 ILE H . . 3.080 3.038 3.038 3.038 . 0 0 "[ ]" 1
205 1 22 LEU H 2 4 LYS HB3 . . 4.600 4.694 4.694 4.694 0.094 1 0 "[ ]" 1
206 1 22 LEU H 2 4 LYS QD . . 6.380 2.920 2.920 2.920 . 0 0 "[ ]" 1
207 1 22 LEU HA 1 25 ALA H . . 4.070 3.312 3.312 3.312 . 0 0 "[ ]" 1
208 1 22 LEU HB2 1 23 ILE H . . 3.610 3.699 3.699 3.699 0.089 1 0 "[ ]" 1
209 1 22 LEU HG 1 23 ILE H . . 4.260 4.359 4.359 4.359 0.099 1 0 "[ ]" 1
210 1 22 LEU QD 1 23 ILE H . . 7.260 2.501 2.501 2.501 . 0 0 "[ ]" 1
211 1 22 LEU QD 1 25 ALA H . . 8.040 3.795 3.795 3.795 . 0 0 "[ ]" 1
212 1 22 LEU QD 2 11 VAL H . . 8.100 5.432 5.432 5.432 . 0 0 "[ ]" 1
213 1 23 ILE H 1 23 ILE HB . . 2.490 2.328 2.328 2.328 . 0 0 "[ ]" 1
214 1 23 ILE H 1 23 ILE MG . . 4.730 3.688 3.688 3.688 . 0 0 "[ ]" 1
215 1 23 ILE H 1 23 ILE HG12 . . 3.730 2.221 2.221 2.221 . 0 0 "[ ]" 1
216 1 23 ILE H 1 23 ILE MD . . 5.230 3.291 3.291 3.291 . 0 0 "[ ]" 1
217 1 23 ILE H 1 24 SER H . . 3.080 2.933 2.933 2.933 . 0 0 "[ ]" 1
218 1 23 ILE HA 1 26 MET H . . 3.920 3.704 3.704 3.704 . 0 0 "[ ]" 1
219 1 23 ILE HB 1 24 SER H . . 2.930 2.698 2.698 2.698 . 0 0 "[ ]" 1
220 1 23 ILE MG 1 24 SER H . . 4.920 3.117 3.117 3.117 . 0 0 "[ ]" 1
221 1 23 ILE MG 1 27 GLU H . . 6.500 3.959 3.959 3.959 . 0 0 "[ ]" 1
222 1 23 ILE HG13 1 24 SER H . . 5.310 5.088 5.088 5.088 . 0 0 "[ ]" 1
223 1 24 SER H 1 24 SER HB2 . . 3.450 2.184 2.184 2.184 . 0 0 "[ ]" 1
224 1 24 SER H 1 24 SER HB3 . . 3.450 3.470 3.470 3.470 0.020 1 0 "[ ]" 1
225 1 24 SER H 1 24 SER QB . . 3.030 2.162 2.162 2.162 . 0 0 "[ ]" 1
226 1 24 SER H 1 25 ALA H . . 2.960 2.717 2.717 2.717 . 0 0 "[ ]" 1
227 1 24 SER HA 1 25 ALA H . . 3.550 3.592 3.592 3.592 0.042 1 0 "[ ]" 1
228 1 24 SER HA 1 27 GLU H . . 3.760 3.582 3.582 3.582 . 0 0 "[ ]" 1
229 1 24 SER HB2 1 25 ALA H . . 3.360 2.902 2.902 2.902 . 0 0 "[ ]" 1
230 1 24 SER HB3 1 25 ALA H . . 3.360 3.448 3.448 3.448 0.088 1 0 "[ ]" 1
231 1 24 SER QB 1 25 ALA H . . 3.070 2.759 2.759 2.759 . 0 0 "[ ]" 1
232 1 25 ALA H 1 25 ALA HA . . 2.770 2.791 2.791 2.791 0.021 1 0 "[ ]" 1
233 1 25 ALA H 1 25 ALA MB . . 3.640 2.100 2.100 2.100 . 0 0 "[ ]" 1
234 1 25 ALA H 1 26 MET H . . 3.020 2.901 2.901 2.901 . 0 0 "[ ]" 1
235 1 25 ALA H 2 8 ILE MD . . 6.530 4.291 4.291 4.291 . 0 0 "[ ]" 1
236 1 25 ALA HA 1 28 GLU H . . 3.610 3.624 3.624 3.624 0.014 1 0 "[ ]" 1
237 1 25 ALA MB 1 26 MET H . . 3.950 2.107 2.107 2.107 . 0 0 "[ ]" 1
238 1 25 ALA MB 1 28 GLU H . . 6.530 4.627 4.627 4.627 . 0 0 "[ ]" 1
239 1 25 ALA MB 2 8 ILE H . . 6.120 5.114 5.114 5.114 . 0 0 "[ ]" 1
240 1 26 MET H 1 26 MET HB2 . . 3.240 2.395 2.395 2.395 . 0 0 "[ ]" 1
241 1 26 MET H 1 26 MET HG2 . . 3.520 3.444 3.444 3.444 . 0 0 "[ ]" 1
242 1 26 MET H 1 26 MET HG3 . . 3.170 2.123 2.123 2.123 . 0 0 "[ ]" 1
243 1 26 MET H 1 26 MET ME . . 6.530 4.496 4.496 4.496 . 0 0 "[ ]" 1
244 1 26 MET H 1 27 GLU H . . 2.860 2.858 2.858 2.858 . 0 0 "[ ]" 1
245 1 26 MET H 2 8 ILE MG . . 5.660 4.179 4.179 4.179 . 0 0 "[ ]" 1
246 1 26 MET H 2 8 ILE MD . . 5.190 3.234 3.234 3.234 . 0 0 "[ ]" 1
247 1 26 MET HA 1 29 LYS H . . 3.550 3.201 3.201 3.201 . 0 0 "[ ]" 1
248 1 26 MET HA 1 30 PHE H . . 3.730 3.128 3.128 3.128 . 0 0 "[ ]" 1
249 1 26 MET HA 1 30 PHE QD . . 7.620 2.429 2.429 2.429 . 0 0 "[ ]" 1
250 1 26 MET HA 1 30 PHE QE . . 7.620 3.466 3.466 3.466 . 0 0 "[ ]" 1
251 1 26 MET HB2 1 27 GLU H . . 3.480 2.670 2.670 2.670 . 0 0 "[ ]" 1
252 1 26 MET HG2 1 30 PHE H . . 4.850 4.957 4.957 4.957 0.107 1 0 "[ ]" 1
253 1 26 MET HG2 1 30 PHE QD . . 7.620 3.094 3.094 3.094 . 0 0 "[ ]" 1
254 1 26 MET HG2 1 30 PHE QE . . 7.620 2.254 2.254 2.254 . 0 0 "[ ]" 1
255 1 26 MET HG2 2 11 VAL H . . 5.130 5.245 5.245 5.245 0.115 1 0 "[ ]" 1
256 1 26 MET HG3 1 27 GLU H . . 4.350 4.466 4.466 4.466 0.116 1 0 "[ ]" 1
257 1 26 MET ME 1 30 PHE QD . . 8.650 3.243 3.243 3.243 . 0 0 "[ ]" 1
258 1 26 MET ME 1 30 PHE QE . . 8.650 2.640 2.640 2.640 . 0 0 "[ ]" 1
259 1 26 MET ME 1 30 PHE HZ . . 6.530 3.828 3.828 3.828 . 0 0 "[ ]" 1
260 1 26 MET ME 2 11 VAL H . . 6.530 4.536 4.536 4.536 . 0 0 "[ ]" 1
261 1 26 MET ME 2 12 ALA H . . 6.530 5.317 5.317 5.317 . 0 0 "[ ]" 1
262 1 27 GLU H 1 27 GLU HB2 . . 3.020 2.165 2.165 2.165 . 0 0 "[ ]" 1
263 1 27 GLU H 1 27 GLU HB3 . . 3.420 3.459 3.459 3.459 0.039 1 0 "[ ]" 1
264 1 27 GLU H 1 27 GLU HG2 . . 5.500 3.837 3.837 3.837 . 0 0 "[ ]" 1
265 1 27 GLU H 1 27 GLU HG3 . . 5.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
266 1 27 GLU H 1 27 GLU QG . . 4.760 2.730 2.730 2.730 . 0 0 "[ ]" 1
267 1 27 GLU H 1 28 GLU H . . 3.240 2.870 2.870 2.870 . 0 0 "[ ]" 1
268 1 27 GLU H 2 8 ILE MD . . 6.530 5.312 5.312 5.312 . 0 0 "[ ]" 1
269 1 27 GLU HA 1 30 PHE H . . 4.510 4.433 4.433 4.433 . 0 0 "[ ]" 1
270 1 27 GLU HA 1 30 PHE QD . . 7.620 4.817 4.817 4.817 . 0 0 "[ ]" 1
271 1 27 GLU HB2 1 28 GLU H . . 3.390 2.891 2.891 2.891 . 0 0 "[ ]" 1
272 1 27 GLU HB3 1 28 GLU H . . 3.240 3.267 3.267 3.267 0.027 1 0 "[ ]" 1
273 1 27 GLU QG 1 28 GLU H . . 6.380 4.424 4.424 4.424 . 0 0 "[ ]" 1
274 1 28 GLU H 1 28 GLU HA . . 2.900 2.844 2.844 2.844 . 0 0 "[ ]" 1
275 1 28 GLU H 1 28 GLU HB2 . . 2.710 2.633 2.633 2.633 . 0 0 "[ ]" 1
276 1 28 GLU H 1 28 GLU HB3 . . 2.800 2.415 2.415 2.415 . 0 0 "[ ]" 1
277 1 28 GLU H 1 28 GLU HG2 . . 4.450 4.396 4.396 4.396 . 0 0 "[ ]" 1
278 1 28 GLU H 1 28 GLU HG3 . . 4.450 4.437 4.437 4.437 . 0 0 "[ ]" 1
279 1 28 GLU H 1 28 GLU QG . . 4.240 3.934 3.934 3.934 . 0 0 "[ ]" 1
280 1 28 GLU H 1 29 LYS H . . 2.960 2.474 2.474 2.474 . 0 0 "[ ]" 1
281 1 28 GLU HA 1 29 LYS H . . 3.640 3.618 3.618 3.618 . 0 0 "[ ]" 1
282 1 28 GLU HA 1 31 GLY H . . 3.860 3.371 3.371 3.371 . 0 0 "[ ]" 1
283 1 28 GLU HB3 1 29 LYS H . . 2.860 2.593 2.593 2.593 . 0 0 "[ ]" 1
284 1 28 GLU QG 1 29 LYS H . . 6.380 3.564 3.564 3.564 . 0 0 "[ ]" 1
285 1 29 LYS H 1 29 LYS HA . . 2.930 2.754 2.754 2.754 . 0 0 "[ ]" 1
286 1 29 LYS H 1 29 LYS HB2 . . 2.930 2.505 2.505 2.505 . 0 0 "[ ]" 1
287 1 29 LYS H 1 29 LYS HB3 . . 2.830 2.413 2.413 2.413 . 0 0 "[ ]" 1
288 1 29 LYS H 1 29 LYS HG2 . . 5.500 4.561 4.561 4.561 . 0 0 "[ ]" 1
289 1 29 LYS H 1 29 LYS HG3 . . 5.500 4.356 4.356 4.356 . 0 0 "[ ]" 1
290 1 29 LYS H 1 30 PHE H . . 3.210 3.025 3.025 3.025 . 0 0 "[ ]" 1
291 1 29 LYS H 2 8 ILE MD . . 6.530 4.361 4.361 4.361 . 0 0 "[ ]" 1
292 1 29 LYS HA 1 30 PHE H . . 3.580 3.640 3.640 3.640 0.060 1 0 "[ ]" 1
293 1 29 LYS HB2 1 30 PHE H . . 3.830 3.769 3.769 3.769 . 0 0 "[ ]" 1
294 1 29 LYS HB2 1 30 PHE QD . . 7.620 4.513 4.513 4.513 . 0 0 "[ ]" 1
295 1 29 LYS HB2 1 30 PHE QE . . 7.620 5.236 5.236 5.236 . 0 0 "[ ]" 1
296 1 29 LYS HB3 1 30 PHE H . . 3.610 2.293 2.293 2.293 . 0 0 "[ ]" 1
297 1 29 LYS HB3 1 30 PHE QD . . 7.620 2.803 2.803 2.803 . 0 0 "[ ]" 1
298 1 29 LYS HB3 1 30 PHE QE . . 7.620 3.923 3.923 3.923 . 0 0 "[ ]" 1
299 1 29 LYS QG 1 30 PHE QD . . 8.500 3.416 3.416 3.416 . 0 0 "[ ]" 1
300 1 29 LYS QG 1 30 PHE QE . . 8.500 3.520 3.520 3.520 . 0 0 "[ ]" 1
301 1 29 LYS HE2 1 30 PHE QE . . 7.620 6.304 6.304 6.304 . 0 0 "[ ]" 1
302 1 30 PHE H 1 30 PHE HB2 . . 3.050 2.208 2.208 2.208 . 0 0 "[ ]" 1
303 1 30 PHE H 1 30 PHE HB3 . . 3.450 3.447 3.447 3.447 . 0 0 "[ ]" 1
304 1 30 PHE H 1 31 GLY H . . 2.860 2.607 2.607 2.607 . 0 0 "[ ]" 1
305 1 30 PHE H 2 8 ILE MG . . 6.530 4.339 4.339 4.339 . 0 0 "[ ]" 1
306 1 30 PHE HA 1 31 GLY H . . 3.360 3.366 3.366 3.366 0.006 1 0 "[ ]" 1
307 1 30 PHE HB2 1 31 GLY H . . 3.860 3.400 3.400 3.400 . 0 0 "[ ]" 1
308 1 30 PHE HB3 1 31 GLY H . . 4.790 4.162 4.162 4.162 . 0 0 "[ ]" 1
309 1 30 PHE QD 1 32 VAL HB . . 7.620 5.151 5.151 5.151 . 0 0 "[ ]" 1
310 1 30 PHE QD 2 8 ILE MG . . 8.650 3.415 3.415 3.415 . 0 0 "[ ]" 1
311 1 30 PHE QD 2 8 ILE MD . . 8.650 5.027 5.027 5.027 . 0 0 "[ ]" 1
312 1 30 PHE QD 2 11 VAL MG1 . . 8.650 3.879 3.879 3.879 . 0 0 "[ ]" 1
313 1 30 PHE QD 2 16 VAL MG2 . . 8.650 5.634 5.634 5.634 . 0 0 "[ ]" 1
314 1 30 PHE QE 1 32 VAL HB . . 7.620 7.067 7.067 7.067 . 0 0 "[ ]" 1
315 1 30 PHE QE 2 8 ILE HA . . 7.620 3.150 3.150 3.150 . 0 0 "[ ]" 1
316 1 30 PHE QE 2 8 ILE MG . . 7.940 2.376 2.376 2.376 . 0 0 "[ ]" 1
317 1 30 PHE QE 2 8 ILE MD . . 8.650 4.721 4.721 4.721 . 0 0 "[ ]" 1
318 1 30 PHE QE 2 11 VAL HB . . 7.620 2.791 2.791 2.791 . 0 0 "[ ]" 1
319 1 30 PHE QE 2 11 VAL MG1 . . 8.530 2.786 2.786 2.786 . 0 0 "[ ]" 1
320 1 30 PHE QE 2 11 VAL MG2 . . 8.650 3.793 3.793 3.793 . 0 0 "[ ]" 1
321 1 30 PHE QE 2 12 ALA MB . . 8.650 2.692 2.692 2.692 . 0 0 "[ ]" 1
322 1 30 PHE QE 2 16 VAL MG2 . . 8.650 5.447 5.447 5.447 . 0 0 "[ ]" 1
323 1 30 PHE QE 2 19 VAL MG2 . . 8.650 4.665 4.665 4.665 . 0 0 "[ ]" 1
324 1 30 PHE HZ 2 8 ILE MG . . 5.160 3.831 3.831 3.831 . 0 0 "[ ]" 1
325 1 30 PHE HZ 2 11 VAL MG1 . . 6.530 2.277 2.277 2.277 . 0 0 "[ ]" 1
326 1 30 PHE HZ 2 11 VAL MG2 . . 6.530 4.107 4.107 4.107 . 0 0 "[ ]" 1
327 1 30 PHE HZ 2 12 ALA H . . 5.500 2.673 2.673 2.673 . 0 0 "[ ]" 1
328 1 30 PHE HZ 2 12 ALA HA . . 5.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
329 1 30 PHE HZ 2 12 ALA MB . . 6.250 2.092 2.092 2.092 . 0 0 "[ ]" 1
330 1 30 PHE HZ 2 19 VAL MG2 . . 5.910 4.874 4.874 4.874 . 0 0 "[ ]" 1
331 1 31 GLY H 1 32 VAL H . . 3.050 3.003 3.003 3.003 . 0 0 "[ ]" 1
332 1 31 GLY H 1 32 VAL QG . . 7.620 4.018 4.018 4.018 . 0 0 "[ ]" 1
333 1 32 VAL H 1 32 VAL HB . . 3.270 2.508 2.508 2.508 . 0 0 "[ ]" 1
334 1 32 VAL H 1 33 SER H . . 3.330 3.292 3.292 3.292 . 0 0 "[ ]" 1
335 1 32 VAL HA 1 33 SER H . . 2.830 2.563 2.563 2.563 . 0 0 "[ ]" 1
336 1 32 VAL QG 1 33 SER H . . 6.820 3.661 3.661 3.661 . 0 0 "[ ]" 1
337 1 33 SER H 1 33 SER HA . . 2.900 2.883 2.883 2.883 . 0 0 "[ ]" 1
338 1 33 SER H 1 33 SER QB . . 3.830 2.706 2.706 2.706 . 0 0 "[ ]" 1
339 1 33 SER H 1 34 ALA H . . 4.690 4.364 4.364 4.364 . 0 0 "[ ]" 1
340 1 33 SER HA 1 34 ALA H . . 2.650 2.362 2.362 2.362 . 0 0 "[ ]" 1
341 1 33 SER QB 1 34 ALA H . . 4.550 3.514 3.514 3.514 . 0 0 "[ ]" 1
342 1 34 ALA H 1 35 ALA H . . 3.360 3.312 3.312 3.312 . 0 0 "[ ]" 1
343 1 34 ALA HA 1 35 ALA H . . 2.830 2.710 2.710 2.710 . 0 0 "[ ]" 1
344 1 35 ALA H 1 35 ALA HA . . 2.860 2.682 2.682 2.682 . 0 0 "[ ]" 1
345 1 35 ALA H 1 36 ALA H . . 3.890 4.293 4.293 4.293 0.403 1 0 "[ ]" 1
346 1 35 ALA HA 1 36 ALA H . . 2.740 2.237 2.237 2.237 . 0 0 "[ ]" 1
347 1 35 ALA MB 1 36 ALA H . . 4.420 3.593 3.593 3.593 . 0 0 "[ ]" 1
348 1 36 ALA H 1 36 ALA HA . . 2.650 2.798 2.798 2.798 0.148 1 0 "[ ]" 1
349 1 36 ALA HA 1 37 ALA H . . 2.620 3.633 3.633 3.633 1.013 1 1 [+] 1
350 2 1 SER H1 2 1 SER HA . . 2.800 2.884 2.884 2.884 0.084 1 0 "[ ]" 1
351 2 1 SER H1 2 1 SER QB . . 3.710 2.736 2.736 2.736 . 0 0 "[ ]" 1
352 2 1 SER H1 2 2 ILE H . . 3.240 3.192 3.192 3.192 . 0 0 "[ ]" 1
353 2 1 SER HA 2 2 ILE H . . 2.620 2.473 2.473 2.473 . 0 0 "[ ]" 1
354 2 2 ILE H 2 2 ILE HB . . 2.740 2.724 2.724 2.724 . 0 0 "[ ]" 1
355 2 2 ILE H 2 2 ILE HG12 . . 3.330 3.406 3.406 3.406 0.076 1 0 "[ ]" 1
356 2 2 ILE H 2 2 ILE HG13 . . 3.330 2.516 2.516 2.516 . 0 0 "[ ]" 1
357 2 2 ILE H 2 2 ILE QG . . 3.040 2.453 2.453 2.453 . 0 0 "[ ]" 1
358 2 2 ILE H 2 2 ILE MD . . 5.660 4.023 4.023 4.023 . 0 0 "[ ]" 1
359 2 2 ILE H 2 3 THR H . . 3.390 3.383 3.383 3.383 . 0 0 "[ ]" 1
360 2 2 ILE HA 2 3 THR H . . 2.590 2.521 2.521 2.521 . 0 0 "[ ]" 1
361 2 2 ILE HB 2 3 THR H . . 4.630 4.497 4.497 4.497 . 0 0 "[ ]" 1
362 2 2 ILE MG 2 3 THR H . . 4.920 3.949 3.949 3.949 . 0 0 "[ ]" 1
363 2 3 THR H 2 3 THR HA . . 2.930 2.899 2.899 2.899 . 0 0 "[ ]" 1
364 2 3 THR H 2 3 THR MG . . 4.080 2.367 2.367 2.367 . 0 0 "[ ]" 1
365 2 3 THR H 2 6 GLN QB . . 4.760 2.325 2.325 2.325 . 0 0 "[ ]" 1
366 2 3 THR H 2 6 GLN QG . . 4.450 3.956 3.956 3.956 . 0 0 "[ ]" 1
367 2 3 THR HA 2 4 LYS H . . 2.710 2.379 2.379 2.379 . 0 0 "[ ]" 1
368 2 3 THR HA 2 5 ASP H . . 4.320 4.386 4.386 4.386 0.066 1 0 "[ ]" 1
369 2 3 THR HB 2 4 LYS H . . 2.710 2.716 2.716 2.716 0.006 1 0 "[ ]" 1
370 2 3 THR HB 2 5 ASP H . . 2.930 3.026 3.026 3.026 0.096 1 0 "[ ]" 1
371 2 3 THR MG 2 4 LYS H . . 6.280 3.909 3.909 3.909 . 0 0 "[ ]" 1
372 2 3 THR MG 2 5 ASP H . . 6.530 4.594 4.594 4.594 . 0 0 "[ ]" 1
373 2 4 LYS H 2 4 LYS HB2 . . 2.930 2.201 2.201 2.201 . 0 0 "[ ]" 1
374 2 4 LYS H 2 4 LYS HB3 . . 3.420 3.476 3.476 3.476 0.056 1 0 "[ ]" 1
375 2 4 LYS H 2 5 ASP H . . 3.390 2.776 2.776 2.776 . 0 0 "[ ]" 1
376 2 4 LYS HA 2 7 ILE H . . 4.010 3.564 3.564 3.564 . 0 0 "[ ]" 1
377 2 4 LYS HB2 2 5 ASP H . . 3.270 2.830 2.830 2.830 . 0 0 "[ ]" 1
378 2 4 LYS HB3 2 5 ASP H . . 3.300 3.418 3.418 3.418 0.118 1 0 "[ ]" 1
379 2 4 LYS QG 2 5 ASP H . . 6.380 4.388 4.388 4.388 . 0 0 "[ ]" 1
380 2 4 LYS QD 2 5 ASP H . . 6.380 5.178 5.178 5.178 . 0 0 "[ ]" 1
381 2 5 ASP H 2 5 ASP HA . . 2.900 2.746 2.746 2.746 . 0 0 "[ ]" 1
382 2 5 ASP H 2 5 ASP HB2 . . 2.680 2.253 2.253 2.253 . 0 0 "[ ]" 1
383 2 5 ASP H 2 5 ASP HB3 . . 3.390 3.501 3.501 3.501 0.111 1 0 "[ ]" 1
384 2 5 ASP H 2 6 GLN H . . 2.740 2.725 2.725 2.725 . 0 0 "[ ]" 1
385 2 5 ASP HA 2 7 ILE H . . 4.010 3.940 3.940 3.940 . 0 0 "[ ]" 1
386 2 5 ASP HA 2 8 ILE H . . 3.980 3.171 3.171 3.171 . 0 0 "[ ]" 1
387 2 5 ASP HB2 2 6 GLN H . . 3.950 2.525 2.525 2.525 . 0 0 "[ ]" 1
388 2 5 ASP HB3 2 6 GLN H . . 4.450 3.283 3.283 3.283 . 0 0 "[ ]" 1
389 2 6 GLN H 2 6 GLN QG . . 3.960 2.838 2.838 2.838 . 0 0 "[ ]" 1
390 2 6 GLN H 2 7 ILE H . . 3.080 2.760 2.760 2.760 . 0 0 "[ ]" 1
391 2 6 GLN HA 2 7 ILE H . . 3.520 3.536 3.536 3.536 0.016 1 0 "[ ]" 1
392 2 6 GLN HA 2 9 GLU H . . 3.580 3.559 3.559 3.559 . 0 0 "[ ]" 1
393 2 6 GLN QB 2 8 ILE H . . 5.350 4.792 4.792 4.792 . 0 0 "[ ]" 1
394 2 6 GLN QG 2 7 ILE H . . 5.630 4.550 4.550 4.550 . 0 0 "[ ]" 1
395 2 7 ILE H 2 7 ILE HB . . 2.550 2.246 2.246 2.246 . 0 0 "[ ]" 1
396 2 7 ILE H 2 8 ILE H . . 3.480 2.430 2.430 2.430 . 0 0 "[ ]" 1
397 2 7 ILE HB 2 8 ILE H . . 3.170 2.923 2.923 2.923 . 0 0 "[ ]" 1
398 2 8 ILE H 2 8 ILE HB . . 2.620 2.418 2.418 2.418 . 0 0 "[ ]" 1
399 2 8 ILE H 2 8 ILE HG12 . . 3.140 3.206 3.206 3.206 0.066 1 0 "[ ]" 1
400 2 8 ILE H 2 8 ILE HG13 . . 4.040 2.028 2.028 2.028 . 0 0 "[ ]" 1
401 2 8 ILE H 2 9 GLU H . . 3.020 2.778 2.778 2.778 . 0 0 "[ ]" 1
402 2 8 ILE HA 2 11 VAL H . . 4.510 3.471 3.471 3.471 . 0 0 "[ ]" 1
403 2 8 ILE HB 2 9 GLU H . . 2.740 2.545 2.545 2.545 . 0 0 "[ ]" 1
404 2 8 ILE MG 2 9 GLU H . . 5.010 3.320 3.320 3.320 . 0 0 "[ ]" 1
405 2 8 ILE MD 2 9 GLU H . . 5.910 4.518 4.518 4.518 . 0 0 "[ ]" 1
406 2 9 GLU H 2 9 GLU HA . . 2.900 2.794 2.794 2.794 . 0 0 "[ ]" 1
407 2 9 GLU H 2 9 GLU QB . . 3.680 2.409 2.409 2.409 . 0 0 "[ ]" 1
408 2 9 GLU H 2 9 GLU HG2 . . 5.470 2.830 2.830 2.830 . 0 0 "[ ]" 1
409 2 9 GLU H 2 9 GLU HG3 . . 5.470 2.476 2.476 2.476 . 0 0 "[ ]" 1
410 2 9 GLU H 2 9 GLU QG . . 5.120 2.327 2.327 2.327 . 0 0 "[ ]" 1
411 2 9 GLU H 2 10 ALA H . . 3.240 2.595 2.595 2.595 . 0 0 "[ ]" 1
412 2 9 GLU HA 2 10 ALA H . . 3.390 3.439 3.439 3.439 0.049 1 0 "[ ]" 1
413 2 9 GLU HA 2 12 ALA H . . 3.580 3.220 3.220 3.220 . 0 0 "[ ]" 1
414 2 9 GLU QB 2 10 ALA H . . 4.080 3.209 3.209 3.209 . 0 0 "[ ]" 1
415 2 9 GLU QB 2 11 VAL H . . 5.910 4.993 4.993 4.993 . 0 0 "[ ]" 1
416 2 10 ALA H 2 10 ALA MB . . 3.550 2.164 2.164 2.164 . 0 0 "[ ]" 1
417 2 10 ALA H 2 11 VAL H . . 2.930 2.421 2.421 2.421 . 0 0 "[ ]" 1
418 2 10 ALA H 2 11 VAL HB . . 4.320 4.423 4.423 4.423 0.103 1 0 "[ ]" 1
419 2 10 ALA H 2 11 VAL MG2 . . 5.810 4.072 4.072 4.072 . 0 0 "[ ]" 1
420 2 10 ALA HA 2 11 VAL H . . 3.580 3.589 3.589 3.589 0.009 1 0 "[ ]" 1
421 2 10 ALA HA 2 13 ALA H . . 4.170 3.593 3.593 3.593 . 0 0 "[ ]" 1
422 2 10 ALA MB 2 11 VAL H . . 3.950 2.674 2.674 2.674 . 0 0 "[ ]" 1
423 2 11 VAL H 2 11 VAL HB . . 2.710 2.250 2.250 2.250 . 0 0 "[ ]" 1
424 2 11 VAL H 2 11 VAL MG1 . . 4.480 3.664 3.664 3.664 . 0 0 "[ ]" 1
425 2 11 VAL H 2 11 VAL MG2 . . 4.020 2.366 2.366 2.366 . 0 0 "[ ]" 1
426 2 11 VAL H 2 12 ALA H . . 2.930 2.495 2.495 2.495 . 0 0 "[ ]" 1
427 2 11 VAL H 2 14 MET ME . . 6.530 5.242 5.242 5.242 . 0 0 "[ ]" 1
428 2 11 VAL HA 2 13 ALA H . . 4.170 3.436 3.436 3.436 . 0 0 "[ ]" 1
429 2 11 VAL HA 2 14 MET H . . 3.550 3.602 3.602 3.602 0.052 1 0 "[ ]" 1
430 2 11 VAL HB 2 12 ALA H . . 3.360 3.008 3.008 3.008 . 0 0 "[ ]" 1
431 2 11 VAL MG1 2 12 ALA H . . 4.880 3.592 3.592 3.592 . 0 0 "[ ]" 1
432 2 11 VAL MG1 2 13 ALA H . . 6.530 4.445 4.445 4.445 . 0 0 "[ ]" 1
433 2 11 VAL MG2 2 12 ALA H . . 6.190 4.105 4.105 4.105 . 0 0 "[ ]" 1
434 2 12 ALA H 2 12 ALA MB . . 3.430 2.229 2.229 2.229 . 0 0 "[ ]" 1
435 2 12 ALA H 2 13 ALA H . . 3.170 2.566 2.566 2.566 . 0 0 "[ ]" 1
436 2 12 ALA HA 2 13 ALA H . . 3.640 3.207 3.207 3.207 . 0 0 "[ ]" 1
437 2 12 ALA HA 2 14 MET H . . 4.350 3.961 3.961 3.961 . 0 0 "[ ]" 1
438 2 13 ALA H 2 13 ALA MB . . 3.490 2.302 2.302 2.302 . 0 0 "[ ]" 1
439 2 13 ALA H 2 14 MET H . . 2.800 2.044 2.044 2.044 . 0 0 "[ ]" 1
440 2 13 ALA H 2 14 MET HB2 . . 4.510 4.304 4.304 4.304 . 0 0 "[ ]" 1
441 2 13 ALA HA 2 14 MET H . . 3.520 3.541 3.541 3.541 0.021 1 0 "[ ]" 1
442 2 14 MET H 2 14 MET HB2 . . 2.710 2.481 2.481 2.481 . 0 0 "[ ]" 1
443 2 14 MET H 2 14 MET HB3 . . 3.580 3.631 3.631 3.631 0.051 1 0 "[ ]" 1
444 2 14 MET H 2 14 MET HG2 . . 4.660 4.041 4.041 4.041 . 0 0 "[ ]" 1
445 2 14 MET H 2 14 MET HG3 . . 3.610 2.695 2.695 2.695 . 0 0 "[ ]" 1
446 2 14 MET H 2 14 MET ME . . 6.530 4.113 4.113 4.113 . 0 0 "[ ]" 1
447 2 14 MET H 2 15 SER H . . 4.850 4.526 4.526 4.526 . 0 0 "[ ]" 1
448 2 14 MET H 2 19 VAL MG2 . . 6.190 3.559 3.559 3.559 . 0 0 "[ ]" 1
449 2 14 MET HA 2 15 SER H . . 2.550 2.585 2.585 2.585 0.035 1 0 "[ ]" 1
450 2 14 MET HB2 2 15 SER H . . 3.450 3.436 3.436 3.436 . 0 0 "[ ]" 1
451 2 14 MET HB3 2 15 SER H . . 2.990 2.309 2.309 2.309 . 0 0 "[ ]" 1
452 2 14 MET HG2 2 15 SER H . . 4.320 4.216 4.216 4.216 . 0 0 "[ ]" 1
453 2 15 SER H 2 15 SER HB2 . . 3.330 3.416 3.416 3.416 0.086 1 0 "[ ]" 1
454 2 15 SER H 2 15 SER HB3 . . 3.110 3.098 3.098 3.098 . 0 0 "[ ]" 1
455 2 15 SER H 2 16 VAL H . . 4.880 4.620 4.620 4.620 . 0 0 "[ ]" 1
456 2 15 SER H 2 18 ASP HB2 . . 3.830 2.766 2.766 2.766 . 0 0 "[ ]" 1
457 2 15 SER H 2 18 ASP HB3 . . 3.170 3.031 3.031 3.031 . 0 0 "[ ]" 1
458 2 15 SER H 2 19 VAL MG2 . . 6.530 4.050 4.050 4.050 . 0 0 "[ ]" 1
459 2 15 SER HA 2 16 VAL H . . 2.550 2.537 2.537 2.537 . 0 0 "[ ]" 1
460 2 15 SER HB2 2 16 VAL H . . 3.110 2.488 2.488 2.488 . 0 0 "[ ]" 1
461 2 15 SER HB3 2 16 VAL H . . 3.420 3.345 3.345 3.345 . 0 0 "[ ]" 1
462 2 15 SER HB3 2 17 MET H . . 4.260 4.309 4.309 4.309 0.049 1 0 "[ ]" 1
463 2 16 VAL H 2 16 VAL HB . . 2.710 2.336 2.336 2.336 . 0 0 "[ ]" 1
464 2 16 VAL H 2 16 VAL MG1 . . 4.790 3.687 3.687 3.687 . 0 0 "[ ]" 1
465 2 16 VAL H 2 16 VAL MG2 . . 4.200 2.103 2.103 2.103 . 0 0 "[ ]" 1
466 2 16 VAL H 2 17 MET H . . 3.270 2.710 2.710 2.710 . 0 0 "[ ]" 1
467 2 16 VAL HA 2 19 VAL H . . 3.450 3.348 3.348 3.348 . 0 0 "[ ]" 1
468 2 16 VAL HB 2 17 MET H . . 2.930 2.620 2.620 2.620 . 0 0 "[ ]" 1
469 2 16 VAL MG1 2 17 MET H . . 4.980 3.319 3.319 3.319 . 0 0 "[ ]" 1
470 2 16 VAL MG2 2 17 MET H . . 6.530 3.930 3.930 3.930 . 0 0 "[ ]" 1
471 2 16 VAL MG2 2 18 ASP H . . 6.530 5.484 5.484 5.484 . 0 0 "[ ]" 1
472 2 17 MET H 2 17 MET HA . . 2.830 2.750 2.750 2.750 . 0 0 "[ ]" 1
473 2 17 MET H 2 17 MET HB2 . . 2.710 2.115 2.115 2.115 . 0 0 "[ ]" 1
474 2 17 MET H 2 17 MET HG2 . . 5.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
475 2 17 MET H 2 17 MET HG3 . . 3.700 3.657 3.657 3.657 . 0 0 "[ ]" 1
476 2 17 MET H 2 18 ASP H . . 2.930 2.782 2.782 2.782 . 0 0 "[ ]" 1
477 2 17 MET HA 2 20 VAL H . . 3.830 3.227 3.227 3.227 . 0 0 "[ ]" 1
478 2 17 MET HB3 2 18 ASP H . . 3.110 3.200 3.200 3.200 0.090 1 0 "[ ]" 1
479 2 18 ASP H 2 18 ASP HB2 . . 3.240 2.089 2.089 2.089 . 0 0 "[ ]" 1
480 2 18 ASP H 2 18 ASP HB3 . . 2.930 2.915 2.915 2.915 . 0 0 "[ ]" 1
481 2 18 ASP H 2 19 VAL H . . 3.270 2.580 2.580 2.580 . 0 0 "[ ]" 1
482 2 18 ASP H 2 19 VAL MG2 . . 6.220 4.177 4.177 4.177 . 0 0 "[ ]" 1
483 2 18 ASP HA 2 21 GLU H . . 4.040 3.552 3.552 3.552 . 0 0 "[ ]" 1
484 2 18 ASP HB2 2 19 VAL H . . 4.290 3.645 3.645 3.645 . 0 0 "[ ]" 1
485 2 18 ASP HB3 2 19 VAL H . . 3.480 2.991 2.991 2.991 . 0 0 "[ ]" 1
486 2 19 VAL H 2 19 VAL HB . . 2.680 2.203 2.203 2.203 . 0 0 "[ ]" 1
487 2 19 VAL H 2 19 VAL MG2 . . 4.170 2.491 2.491 2.491 . 0 0 "[ ]" 1
488 2 19 VAL H 2 20 VAL H . . 3.300 2.443 2.443 2.443 . 0 0 "[ ]" 1
489 2 19 VAL H 2 20 VAL MG1 . . 6.530 5.549 5.549 5.549 . 0 0 "[ ]" 1
490 2 19 VAL H 2 20 VAL MG2 . . 6.340 4.133 4.133 4.133 . 0 0 "[ ]" 1
491 2 19 VAL HA 2 22 LEU H . . 3.580 3.046 3.046 3.046 . 0 0 "[ ]" 1
492 2 19 VAL HA 2 23 ILE H . . 3.980 4.053 4.053 4.053 0.073 1 0 "[ ]" 1
493 2 19 VAL HB 2 20 VAL H . . 2.990 2.774 2.774 2.774 . 0 0 "[ ]" 1
494 2 19 VAL MG2 2 20 VAL H . . 5.630 4.065 4.065 4.065 . 0 0 "[ ]" 1
495 2 20 VAL H 2 20 VAL HB . . 2.740 2.239 2.239 2.239 . 0 0 "[ ]" 1
496 2 20 VAL H 2 20 VAL MG1 . . 4.570 3.656 3.656 3.656 . 0 0 "[ ]" 1
497 2 20 VAL H 2 20 VAL MG2 . . 3.990 2.291 2.291 2.291 . 0 0 "[ ]" 1
498 2 20 VAL H 2 21 GLU H . . 3.140 2.781 2.781 2.781 . 0 0 "[ ]" 1
499 2 20 VAL H 2 23 ILE HB . . 5.250 5.293 5.293 5.293 0.043 1 0 "[ ]" 1
500 2 20 VAL HA 2 23 ILE H . . 3.920 3.777 3.777 3.777 . 0 0 "[ ]" 1
501 2 20 VAL HB 2 21 GLU H . . 2.900 2.775 2.775 2.775 . 0 0 "[ ]" 1
502 2 20 VAL MG1 2 21 GLU H . . 5.320 3.194 3.194 3.194 . 0 0 "[ ]" 1
503 2 20 VAL MG2 2 21 GLU H . . 5.470 4.084 4.084 4.084 . 0 0 "[ ]" 1
504 2 21 GLU H 2 21 GLU HB2 . . 2.900 2.273 2.273 2.273 . 0 0 "[ ]" 1
505 2 21 GLU H 2 21 GLU HB3 . . 3.420 3.511 3.511 3.511 0.091 1 0 "[ ]" 1
506 2 21 GLU H 2 22 LEU H . . 2.860 2.689 2.689 2.689 . 0 0 "[ ]" 1
507 2 21 GLU H 2 22 LEU QD . . 7.940 5.458 5.458 5.458 . 0 0 "[ ]" 1
508 2 21 GLU HA 2 22 LEU H . . 3.580 3.612 3.612 3.612 0.032 1 0 "[ ]" 1
509 2 21 GLU HA 2 24 SER H . . 3.670 3.431 3.431 3.431 . 0 0 "[ ]" 1
510 2 21 GLU HB2 2 22 LEU H . . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 1
511 2 21 GLU HB3 2 22 LEU H . . 3.580 3.481 3.481 3.481 . 0 0 "[ ]" 1
512 2 22 LEU H 2 22 LEU HA . . 2.830 2.754 2.754 2.754 . 0 0 "[ ]" 1
513 2 22 LEU H 2 22 LEU HB2 . . 2.930 2.246 2.246 2.246 . 0 0 "[ ]" 1
514 2 22 LEU H 2 22 LEU HB3 . . 2.960 2.635 2.635 2.635 . 0 0 "[ ]" 1
515 2 22 LEU H 2 22 LEU HG . . 5.130 4.508 4.508 4.508 . 0 0 "[ ]" 1
516 2 22 LEU H 2 22 LEU MD1 . . 5.780 4.170 4.170 4.170 . 0 0 "[ ]" 1
517 2 22 LEU H 2 22 LEU MD2 . . 5.780 3.753 3.753 3.753 . 0 0 "[ ]" 1
518 2 22 LEU H 2 23 ILE H . . 3.080 3.029 3.029 3.029 . 0 0 "[ ]" 1
519 2 22 LEU HA 2 25 ALA H . . 4.070 3.461 3.461 3.461 . 0 0 "[ ]" 1
520 2 22 LEU HB2 2 23 ILE H . . 3.610 3.586 3.586 3.586 . 0 0 "[ ]" 1
521 2 22 LEU HG 2 23 ILE H . . 4.260 4.357 4.357 4.357 0.097 1 0 "[ ]" 1
522 2 22 LEU QD 2 23 ILE H . . 7.260 2.811 2.811 2.811 . 0 0 "[ ]" 1
523 2 22 LEU QD 2 25 ALA H . . 8.040 4.021 4.021 4.021 . 0 0 "[ ]" 1
524 2 23 ILE H 2 23 ILE HB . . 2.490 2.189 2.189 2.189 . 0 0 "[ ]" 1
525 2 23 ILE H 2 23 ILE MG . . 4.730 3.623 3.623 3.623 . 0 0 "[ ]" 1
526 2 23 ILE H 2 23 ILE HG12 . . 3.730 3.851 3.851 3.851 0.121 1 0 "[ ]" 1
527 2 23 ILE H 2 23 ILE MD . . 5.230 1.929 1.929 1.929 . 0 0 "[ ]" 1
528 2 23 ILE H 2 24 SER H . . 3.080 2.800 2.800 2.800 . 0 0 "[ ]" 1
529 2 23 ILE HA 2 26 MET H . . 3.920 3.717 3.717 3.717 . 0 0 "[ ]" 1
530 2 23 ILE HB 2 24 SER H . . 2.930 2.941 2.941 2.941 0.011 1 0 "[ ]" 1
531 2 23 ILE MG 2 24 SER H . . 4.920 3.104 3.104 3.104 . 0 0 "[ ]" 1
532 2 23 ILE MG 2 27 GLU H . . 6.500 3.898 3.898 3.898 . 0 0 "[ ]" 1
533 2 23 ILE HG13 2 24 SER H . . 5.310 5.141 5.141 5.141 . 0 0 "[ ]" 1
534 2 24 SER H 2 24 SER HB2 . . 3.450 2.188 2.188 2.188 . 0 0 "[ ]" 1
535 2 24 SER H 2 24 SER HB3 . . 3.450 3.473 3.473 3.473 0.023 1 0 "[ ]" 1
536 2 24 SER H 2 24 SER QB . . 3.030 2.166 2.166 2.166 . 0 0 "[ ]" 1
537 2 24 SER H 2 25 ALA H . . 2.960 2.666 2.666 2.666 . 0 0 "[ ]" 1
538 2 24 SER HA 2 25 ALA H . . 3.550 3.599 3.599 3.599 0.049 1 0 "[ ]" 1
539 2 24 SER HA 2 27 GLU H . . 3.760 3.435 3.435 3.435 . 0 0 "[ ]" 1
540 2 24 SER HB2 2 25 ALA H . . 3.360 2.852 2.852 2.852 . 0 0 "[ ]" 1
541 2 24 SER HB3 2 25 ALA H . . 3.360 3.444 3.444 3.444 0.084 1 0 "[ ]" 1
542 2 24 SER QB 2 25 ALA H . . 3.070 2.722 2.722 2.722 . 0 0 "[ ]" 1
543 2 25 ALA H 2 25 ALA HA . . 2.770 2.761 2.761 2.761 . 0 0 "[ ]" 1
544 2 25 ALA H 2 25 ALA MB . . 3.640 2.011 2.011 2.011 . 0 0 "[ ]" 1
545 2 25 ALA H 2 26 MET H . . 3.020 2.881 2.881 2.881 . 0 0 "[ ]" 1
546 2 25 ALA HA 2 28 GLU H . . 3.610 3.698 3.698 3.698 0.088 1 0 "[ ]" 1
547 2 25 ALA MB 2 26 MET H . . 3.950 2.483 2.483 2.483 . 0 0 "[ ]" 1
548 2 25 ALA MB 2 28 GLU H . . 6.530 4.740 4.740 4.740 . 0 0 "[ ]" 1
549 2 26 MET H 2 26 MET HB2 . . 3.240 2.326 2.326 2.326 . 0 0 "[ ]" 1
550 2 26 MET H 2 26 MET HG2 . . 3.520 3.271 3.271 3.271 . 0 0 "[ ]" 1
551 2 26 MET H 2 26 MET HG3 . . 3.170 2.319 2.319 2.319 . 0 0 "[ ]" 1
552 2 26 MET H 2 26 MET ME . . 6.530 4.057 4.057 4.057 . 0 0 "[ ]" 1
553 2 26 MET H 2 27 GLU H . . 2.860 2.854 2.854 2.854 . 0 0 "[ ]" 1
554 2 26 MET HA 2 29 LYS H . . 3.550 3.359 3.359 3.359 . 0 0 "[ ]" 1
555 2 26 MET HA 2 30 PHE H . . 3.730 3.158 3.158 3.158 . 0 0 "[ ]" 1
556 2 26 MET HA 2 30 PHE QD . . 7.620 2.449 2.449 2.449 . 0 0 "[ ]" 1
557 2 26 MET HA 2 30 PHE QE . . 7.620 3.186 3.186 3.186 . 0 0 "[ ]" 1
558 2 26 MET HB2 2 27 GLU H . . 3.480 2.521 2.521 2.521 . 0 0 "[ ]" 1
559 2 26 MET HG2 2 30 PHE H . . 4.850 4.966 4.966 4.966 0.116 1 0 "[ ]" 1
560 2 26 MET HG2 2 30 PHE QD . . 7.620 3.160 3.160 3.160 . 0 0 "[ ]" 1
561 2 26 MET HG2 2 30 PHE QE . . 7.620 2.118 2.118 2.118 . 0 0 "[ ]" 1
562 2 26 MET HG3 2 27 GLU H . . 4.350 4.470 4.470 4.470 0.120 1 0 "[ ]" 1
563 2 26 MET ME 2 30 PHE QD . . 8.650 5.124 5.124 5.124 . 0 0 "[ ]" 1
564 2 26 MET ME 2 30 PHE QE . . 8.650 3.878 3.878 3.878 . 0 0 "[ ]" 1
565 2 26 MET ME 2 30 PHE HZ . . 6.530 5.204 5.204 5.204 . 0 0 "[ ]" 1
566 2 27 GLU H 2 27 GLU HB2 . . 3.020 2.262 2.262 2.262 . 0 0 "[ ]" 1
567 2 27 GLU H 2 27 GLU HB3 . . 3.420 3.509 3.509 3.509 0.089 1 0 "[ ]" 1
568 2 27 GLU H 2 27 GLU HG2 . . 5.500 3.627 3.627 3.627 . 0 0 "[ ]" 1
569 2 27 GLU H 2 27 GLU HG3 . . 5.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
570 2 27 GLU H 2 27 GLU QG . . 4.760 2.516 2.516 2.516 . 0 0 "[ ]" 1
571 2 27 GLU H 2 28 GLU H . . 3.240 2.950 2.950 2.950 . 0 0 "[ ]" 1
572 2 27 GLU HA 2 30 PHE H . . 4.510 4.487 4.487 4.487 . 0 0 "[ ]" 1
573 2 27 GLU HA 2 30 PHE QD . . 7.620 4.595 4.595 4.595 . 0 0 "[ ]" 1
574 2 27 GLU HB2 2 28 GLU H . . 3.390 2.730 2.730 2.730 . 0 0 "[ ]" 1
575 2 27 GLU HB3 2 28 GLU H . . 3.240 3.281 3.281 3.281 0.041 1 0 "[ ]" 1
576 2 27 GLU QG 2 28 GLU H . . 6.380 4.339 4.339 4.339 . 0 0 "[ ]" 1
577 2 28 GLU H 2 28 GLU HA . . 2.900 2.830 2.830 2.830 . 0 0 "[ ]" 1
578 2 28 GLU H 2 28 GLU HB2 . . 2.710 2.397 2.397 2.397 . 0 0 "[ ]" 1
579 2 28 GLU H 2 28 GLU HB3 . . 2.800 2.624 2.624 2.624 . 0 0 "[ ]" 1
580 2 28 GLU H 2 28 GLU HG2 . . 4.450 4.444 4.444 4.444 . 0 0 "[ ]" 1
581 2 28 GLU H 2 28 GLU HG3 . . 4.450 4.374 4.374 4.374 . 0 0 "[ ]" 1
582 2 28 GLU H 2 28 GLU QG . . 4.240 3.927 3.927 3.927 . 0 0 "[ ]" 1
583 2 28 GLU H 2 29 LYS H . . 2.960 2.537 2.537 2.537 . 0 0 "[ ]" 1
584 2 28 GLU HA 2 29 LYS H . . 3.640 3.622 3.622 3.622 . 0 0 "[ ]" 1
585 2 28 GLU HA 2 31 GLY H . . 3.860 3.378 3.378 3.378 . 0 0 "[ ]" 1
586 2 28 GLU HB3 2 29 LYS H . . 2.860 2.528 2.528 2.528 . 0 0 "[ ]" 1
587 2 28 GLU QG 2 29 LYS H . . 6.380 3.927 3.927 3.927 . 0 0 "[ ]" 1
588 2 29 LYS H 2 29 LYS HA . . 2.930 2.743 2.743 2.743 . 0 0 "[ ]" 1
589 2 29 LYS H 2 29 LYS HB2 . . 2.930 2.506 2.506 2.506 . 0 0 "[ ]" 1
590 2 29 LYS H 2 29 LYS HB3 . . 2.830 2.415 2.415 2.415 . 0 0 "[ ]" 1
591 2 29 LYS H 2 29 LYS HG2 . . 5.500 4.558 4.558 4.558 . 0 0 "[ ]" 1
592 2 29 LYS H 2 29 LYS HG3 . . 5.500 4.353 4.353 4.353 . 0 0 "[ ]" 1
593 2 29 LYS H 2 30 PHE H . . 3.210 3.068 3.068 3.068 . 0 0 "[ ]" 1
594 2 29 LYS HA 2 30 PHE H . . 3.580 3.639 3.639 3.639 0.059 1 0 "[ ]" 1
595 2 29 LYS HB2 2 30 PHE H . . 3.830 3.763 3.763 3.763 . 0 0 "[ ]" 1
596 2 29 LYS HB2 2 30 PHE QD . . 7.620 4.826 4.826 4.826 . 0 0 "[ ]" 1
597 2 29 LYS HB2 2 30 PHE QE . . 7.620 5.321 5.321 5.321 . 0 0 "[ ]" 1
598 2 29 LYS HB3 2 30 PHE H . . 3.610 2.283 2.283 2.283 . 0 0 "[ ]" 1
599 2 29 LYS HB3 2 30 PHE QD . . 7.620 3.153 3.153 3.153 . 0 0 "[ ]" 1
600 2 29 LYS HB3 2 30 PHE QE . . 7.620 4.003 4.003 4.003 . 0 0 "[ ]" 1
601 2 29 LYS QG 2 30 PHE QD . . 8.500 3.596 3.596 3.596 . 0 0 "[ ]" 1
602 2 29 LYS QG 2 30 PHE QE . . 8.500 3.647 3.647 3.647 . 0 0 "[ ]" 1
603 2 29 LYS HE2 2 30 PHE QE . . 7.620 5.163 5.163 5.163 . 0 0 "[ ]" 1
604 2 30 PHE H 2 30 PHE HB2 . . 3.050 2.276 2.276 2.276 . 0 0 "[ ]" 1
605 2 30 PHE H 2 30 PHE HB3 . . 3.450 3.464 3.464 3.464 0.014 1 0 "[ ]" 1
606 2 30 PHE H 2 31 GLY H . . 2.860 2.610 2.610 2.610 . 0 0 "[ ]" 1
607 2 30 PHE HA 2 31 GLY H . . 3.360 3.361 3.361 3.361 0.001 1 0 "[ ]" 1
608 2 30 PHE HB2 2 31 GLY H . . 3.860 3.404 3.404 3.404 . 0 0 "[ ]" 1
609 2 30 PHE HB3 2 31 GLY H . . 4.790 4.220 4.220 4.220 . 0 0 "[ ]" 1
610 2 30 PHE QD 2 32 VAL HB . . 7.620 4.876 4.876 4.876 . 0 0 "[ ]" 1
611 2 30 PHE QE 2 32 VAL HB . . 7.620 6.792 6.792 6.792 . 0 0 "[ ]" 1
612 2 31 GLY H 2 32 VAL H . . 3.050 3.022 3.022 3.022 . 0 0 "[ ]" 1
613 2 31 GLY H 2 32 VAL QG . . 7.620 4.033 4.033 4.033 . 0 0 "[ ]" 1
614 2 32 VAL H 2 32 VAL HB . . 3.270 2.758 2.758 2.758 . 0 0 "[ ]" 1
615 2 32 VAL H 2 33 SER H . . 3.330 3.137 3.137 3.137 . 0 0 "[ ]" 1
616 2 32 VAL HA 2 33 SER H . . 2.830 2.809 2.809 2.809 . 0 0 "[ ]" 1
617 2 32 VAL QG 2 33 SER H . . 6.820 3.540 3.540 3.540 . 0 0 "[ ]" 1
618 2 33 SER H 2 33 SER HA . . 2.900 2.879 2.879 2.879 . 0 0 "[ ]" 1
619 2 33 SER H 2 33 SER QB . . 3.830 2.818 2.818 2.818 . 0 0 "[ ]" 1
620 2 33 SER H 2 34 ALA H . . 4.690 2.977 2.977 2.977 . 0 0 "[ ]" 1
621 2 33 SER HA 2 34 ALA H . . 2.650 2.561 2.561 2.561 . 0 0 "[ ]" 1
622 2 33 SER QB 2 34 ALA H . . 4.550 3.968 3.968 3.968 . 0 0 "[ ]" 1
623 2 34 ALA H 2 35 ALA H . . 3.360 2.988 2.988 2.988 . 0 0 "[ ]" 1
624 2 34 ALA HA 2 35 ALA H . . 2.830 2.353 2.353 2.353 . 0 0 "[ ]" 1
625 2 35 ALA H 2 35 ALA HA . . 2.860 2.922 2.922 2.922 0.062 1 0 "[ ]" 1
626 2 35 ALA H 2 36 ALA H . . 3.890 3.179 3.179 3.179 . 0 0 "[ ]" 1
627 2 35 ALA HA 2 36 ALA H . . 2.740 2.512 2.512 2.512 . 0 0 "[ ]" 1
628 2 35 ALA MB 2 36 ALA H . . 4.420 3.782 3.782 3.782 . 0 0 "[ ]" 1
629 2 36 ALA H 2 36 ALA HA . . 2.650 2.216 2.216 2.216 . 0 0 "[ ]" 1
630 2 36 ALA HA 2 37 ALA H . . 2.620 2.646 2.646 2.646 0.026 1 0 "[ ]" 1
631 1 7 ILE H 1 7 ILE MG . . 4.700 3.630 3.630 3.630 . 0 0 "[ ]" 1
632 1 7 ILE H 1 7 ILE QG . . 4.390 2.564 2.564 2.564 . 0 0 "[ ]" 1
633 1 7 ILE H 1 7 ILE MD . . 4.450 3.420 3.420 3.420 . 0 0 "[ ]" 1
634 1 7 ILE MG 1 8 ILE H . . 5.720 3.531 3.531 3.531 . 0 0 "[ ]" 1
635 1 7 ILE MG 1 10 ALA H . . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
636 1 7 ILE MD 1 8 ILE H . . 6.530 4.857 4.857 4.857 . 0 0 "[ ]" 1
637 1 7 ILE MD 1 10 ALA H . . 5.540 6.347 6.347 6.347 0.807 1 1 [+] 1
638 1 7 ILE MD 1 11 VAL H . . 6.530 6.883 6.883 6.883 0.353 1 0 "[ ]" 1
639 1 7 ILE HA 1 10 ALA H . . 4.450 3.290 3.290 3.290 . 0 0 "[ ]" 1
640 1 7 ILE HA 1 11 VAL H . . 4.760 4.459 4.459 4.459 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 668
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 2.099
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0500
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 47 ALA 0.175 0.134 1 0 "[ ]"
1 48 ALA 0.048 0.041 1 0 "[ ]"
1 49 GLU 0.007 0.007 1 0 "[ ]"
1 50 GLU 0.007 0.007 1 0 "[ ]"
1 51 LYS 0.073 0.073 1 0 "[ ]"
1 52 THR 0.085 0.054 1 0 "[ ]"
1 53 GLU 0.105 0.073 1 0 "[ ]"
1 54 PHE 0.054 0.054 1 0 "[ ]"
1 55 ASP 0.000 0.000 . 0 "[ ]"
1 56 VAL 0.000 0.000 . 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 58 LEU 0.054 0.031 1 0 "[ ]"
1 59 LYS 0.150 0.104 1 0 "[ ]"
1 60 ALA 0.059 0.031 1 0 "[ ]"
1 61 ALA 0.097 0.079 1 0 "[ ]"
1 62 GLY 0.006 0.006 1 0 "[ ]"
1 63 ALA 0.079 0.079 1 0 "[ ]"
1 64 ASN 0.111 0.079 1 0 "[ ]"
1 65 LYS 0.216 0.108 1 0 "[ ]"
1 66 VAL 0.108 0.108 1 0 "[ ]"
1 67 ALA 0.000 0.000 . 0 "[ ]"
1 68 VAL 0.030 0.030 1 0 "[ ]"
1 69 ILE 0.038 0.030 1 0 "[ ]"
1 70 LYS 0.008 0.008 1 0 "[ ]"
1 71 ALA 0.000 0.000 . 0 "[ ]"
1 72 VAL 0.000 0.000 . 0 "[ ]"
1 73 ARG 0.000 0.000 . 0 "[ ]"
1 74 GLY 0.000 0.000 . 0 "[ ]"
1 75 ALA 0.000 0.000 . 0 "[ ]"
1 76 THR 0.004 0.004 1 0 "[ ]"
1 77 GLY 0.004 0.004 1 0 "[ ]"
1 78 LEU 0.083 0.083 1 0 "[ ]"
1 79 GLY 0.070 0.070 1 0 "[ ]"
1 80 LEU 0.164 0.094 1 0 "[ ]"
1 81 LYS 0.096 0.094 1 0 "[ ]"
1 82 GLU 0.165 0.083 1 0 "[ ]"
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 84 LYS 0.032 0.032 1 0 "[ ]"
1 85 ASP 0.080 0.080 1 0 "[ ]"
1 86 LEU 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.032 0.032 1 0 "[ ]"
1 88 GLU 0.005 0.005 1 0 "[ ]"
1 89 SER 0.005 0.005 1 0 "[ ]"
1 90 ALA 0.001 0.001 1 0 "[ ]"
1 91 PRO 0.000 0.000 . 0 "[ ]"
1 92 ALA 0.104 0.104 1 0 "[ ]"
1 93 ALA 0.072 0.072 1 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 LYS 0.161 0.090 1 0 "[ ]"
1 96 GLU 0.179 0.090 1 0 "[ ]"
1 97 GLY 0.030 0.030 1 0 "[ ]"
1 98 VAL 0.000 0.000 . 0 "[ ]"
1 99 SER 0.076 0.076 1 0 "[ ]"
1 100 LYS 0.000 0.000 . 0 "[ ]"
1 101 ASP 0.040 0.040 1 0 "[ ]"
1 102 ASP 0.076 0.076 1 0 "[ ]"
1 103 ALA 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 ALA 0.111 0.111 1 0 "[ ]"
1 106 LEU 0.000 0.000 . 0 "[ ]"
1 107 LYS 0.000 0.000 . 0 "[ ]"
1 108 LYS 0.111 0.111 1 0 "[ ]"
1 109 ALA 0.000 0.000 . 0 "[ ]"
1 110 LEU 0.139 0.120 1 0 "[ ]"
1 111 GLU 0.000 0.000 . 0 "[ ]"
1 112 GLU 0.000 0.000 . 0 "[ ]"
1 113 ALA 0.024 0.024 1 0 "[ ]"
1 114 GLY 0.000 0.000 . 0 "[ ]"
1 115 ALA 0.024 0.024 1 0 "[ ]"
1 116 GLU 0.106 0.079 1 0 "[ ]"
1 117 VAL 0.027 0.027 1 0 "[ ]"
1 118 GLU 0.045 0.045 1 0 "[ ]"
1 119 VAL 0.091 0.046 1 0 "[ ]"
1 120 LYS 0.046 0.046 1 0 "[ ]"
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 47 ALA H 1 47 ALA HA . . 2.600 2.734 2.734 2.734 0.134 1 0 "[ ]" 2
2 1 47 ALA HA 1 48 ALA H . . 2.570 2.611 2.611 2.611 0.041 1 0 "[ ]" 2
3 1 47 ALA MB 1 49 GLU H . . 5.570 4.657 4.657 4.657 . 0 0 "[ ]" 2
4 1 48 ALA H 1 48 ALA HA . . 2.910 2.211 2.211 2.211 . 0 0 "[ ]" 2
5 1 48 ALA HA 1 49 GLU H . . 2.570 2.577 2.577 2.577 0.007 1 0 "[ ]" 2
6 1 49 GLU H 1 49 GLU HB2 . . 3.050 2.285 2.285 2.285 . 0 0 "[ ]" 2
7 1 49 GLU H 1 49 GLU HB3 . . 3.640 3.539 3.539 3.539 . 0 0 "[ ]" 2
8 1 49 GLU HA 1 50 GLU H . . 2.570 2.423 2.423 2.423 . 0 0 "[ ]" 2
9 1 49 GLU HB3 1 50 GLU H . . 3.510 2.656 2.656 2.656 . 0 0 "[ ]" 2
10 1 50 GLU H 1 50 GLU HB2 . . 2.870 2.150 2.150 2.150 . 0 0 "[ ]" 2
11 1 50 GLU H 1 50 GLU HB3 . . 3.330 3.337 3.337 3.337 0.007 1 0 "[ ]" 2
12 1 50 GLU HA 1 51 LYS H . . 2.570 2.566 2.566 2.566 . 0 0 "[ ]" 2
13 1 50 GLU HB2 1 51 LYS H . . 4.690 3.912 3.912 3.912 . 0 0 "[ ]" 2
14 1 50 GLU HB3 1 51 LYS H . . 4.320 2.501 2.501 2.501 . 0 0 "[ ]" 2
15 1 50 GLU QG 1 51 LYS H . . 8.100 3.683 3.683 3.683 . 0 0 "[ ]" 2
16 1 51 LYS H 1 51 LYS HG2 . . 5.740 4.521 4.521 4.521 . 0 0 "[ ]" 2
17 1 51 LYS H 1 51 LYS HG3 . . 5.740 4.595 4.595 4.595 . 0 0 "[ ]" 2
18 1 51 LYS HA 1 52 THR H . . 2.570 2.465 2.465 2.465 . 0 0 "[ ]" 2
19 1 51 LYS HA 1 53 GLU H . . 3.360 3.433 3.433 3.433 0.073 1 0 "[ ]" 2
20 1 51 LYS QB 1 52 THR H . . 5.050 4.128 4.128 4.128 . 0 0 "[ ]" 2
21 1 51 LYS QB 1 54 PHE QD . . 8.500 5.919 5.919 5.919 . 0 0 "[ ]" 2
22 1 51 LYS QB 1 54 PHE QE . . 8.500 4.272 4.272 4.272 . 0 0 "[ ]" 2
23 1 51 LYS QB 1 54 PHE HZ . . 6.380 5.169 5.169 5.169 . 0 0 "[ ]" 2
24 1 51 LYS QG 1 52 THR H . . 7.620 3.937 3.937 3.937 . 0 0 "[ ]" 2
25 1 51 LYS QG 1 53 GLU H . . 6.480 3.507 3.507 3.507 . 0 0 "[ ]" 2
26 1 51 LYS QG 1 54 PHE QE . . 8.500 2.678 2.678 2.678 . 0 0 "[ ]" 2
27 1 51 LYS QG 1 54 PHE HZ . . 6.380 3.354 3.354 3.354 . 0 0 "[ ]" 2
28 1 52 THR H 1 52 THR HG1 . . 2.800 2.688 2.688 2.688 . 0 0 "[ ]" 2
29 1 52 THR H 1 53 GLU H . . 2.570 2.602 2.602 2.602 0.032 1 0 "[ ]" 2
30 1 52 THR HA 1 53 GLU H . . 3.400 2.857 2.857 2.857 . 0 0 "[ ]" 2
31 1 52 THR HA 1 54 PHE QD . . 7.620 2.970 2.970 2.970 . 0 0 "[ ]" 2
32 1 52 THR HA 1 54 PHE QE . . 7.620 3.104 3.104 3.104 . 0 0 "[ ]" 2
33 1 52 THR HA 1 54 PHE HZ . . 5.500 5.554 5.554 5.554 0.054 1 0 "[ ]" 2
34 1 52 THR HB 1 53 GLU H . . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 2
35 1 52 THR MG 1 53 GLU H . . 5.930 4.392 4.392 4.392 . 0 0 "[ ]" 2
36 1 53 GLU H 1 54 PHE H . . 4.870 3.645 3.645 3.645 . 0 0 "[ ]" 2
37 1 53 GLU HA 1 54 PHE H . . 2.570 2.372 2.372 2.372 . 0 0 "[ ]" 2
38 1 53 GLU HA 1 54 PHE QD . . 7.620 3.917 3.917 3.917 . 0 0 "[ ]" 2
39 1 53 GLU HA 1 98 VAL H . . 3.910 3.518 3.518 3.518 . 0 0 "[ ]" 2
40 1 53 GLU QB 1 97 GLY H . . 8.100 4.309 4.309 4.309 . 0 0 "[ ]" 2
41 1 53 GLU QB 1 98 VAL H . . 7.500 4.743 4.743 4.743 . 0 0 "[ ]" 2
42 1 53 GLU QG 1 54 PHE H . . 7.480 4.405 4.405 4.405 . 0 0 "[ ]" 2
43 1 54 PHE H 1 54 PHE HB2 . . 3.210 2.201 2.201 2.201 . 0 0 "[ ]" 2
44 1 54 PHE H 1 54 PHE HB3 . . 4.080 3.480 3.480 3.480 . 0 0 "[ ]" 2
45 1 54 PHE H 1 55 ASP H . . 4.570 4.552 4.552 4.552 . 0 0 "[ ]" 2
46 1 54 PHE H 1 97 GLY HA2 . . 5.340 3.399 3.399 3.399 . 0 0 "[ ]" 2
47 1 54 PHE H 1 97 GLY HA3 . . 6.740 4.982 4.982 4.982 . 0 0 "[ ]" 2
48 1 54 PHE H 1 98 VAL H . . 2.980 2.743 2.743 2.743 . 0 0 "[ ]" 2
49 1 54 PHE H 1 98 VAL MG2 . . 5.340 3.410 3.410 3.410 . 0 0 "[ ]" 2
50 1 54 PHE H 1 103 ALA MB . . 8.340 4.226 4.226 4.226 . 0 0 "[ ]" 2
51 1 54 PHE HA 1 55 ASP H . . 2.570 2.300 2.300 2.300 . 0 0 "[ ]" 2
52 1 54 PHE HB2 1 55 ASP H . . 4.200 4.182 4.182 4.182 . 0 0 "[ ]" 2
53 1 54 PHE HB2 1 98 VAL H . . 6.740 3.814 3.814 3.814 . 0 0 "[ ]" 2
54 1 54 PHE HB3 1 55 ASP H . . 3.210 3.026 3.026 3.026 . 0 0 "[ ]" 2
55 1 54 PHE HB3 1 120 LYS H . . 6.740 4.735 4.735 4.735 . 0 0 "[ ]" 2
56 1 54 PHE QD 1 55 ASP H . . 10.140 3.925 3.925 3.925 . 0 0 "[ ]" 2
57 1 54 PHE QD 1 98 VAL H . . 10.140 5.069 5.069 5.069 . 0 0 "[ ]" 2
58 1 54 PHE QD 1 99 SER HA . . 7.620 4.082 4.082 4.082 . 0 0 "[ ]" 2
59 1 54 PHE QD 1 100 LYS H . . 10.140 3.408 3.408 3.408 . 0 0 "[ ]" 2
60 1 54 PHE QD 1 100 LYS HA . . 7.620 3.278 3.278 3.278 . 0 0 "[ ]" 2
61 1 54 PHE QD 1 100 LYS QB . . 8.500 2.861 2.861 2.861 . 0 0 "[ ]" 2
62 1 54 PHE QD 1 100 LYS QG . . 8.500 3.568 3.568 3.568 . 0 0 "[ ]" 2
63 1 54 PHE QD 1 103 ALA MB . . 8.650 3.666 3.666 3.666 . 0 0 "[ ]" 2
64 1 54 PHE QD 1 119 VAL QG . . 9.740 2.391 2.391 2.391 . 0 0 "[ ]" 2
65 1 54 PHE QD 1 120 LYS HA . . 7.620 5.224 5.224 5.224 . 0 0 "[ ]" 2
66 1 54 PHE QE 1 100 LYS H . . 9.940 4.192 4.192 4.192 . 0 0 "[ ]" 2
67 1 54 PHE QE 1 100 LYS HA . . 7.620 4.302 4.302 4.302 . 0 0 "[ ]" 2
68 1 54 PHE QE 1 100 LYS QB . . 8.500 2.550 2.550 2.550 . 0 0 "[ ]" 2
69 1 54 PHE QE 1 100 LYS QG . . 8.500 3.109 3.109 3.109 . 0 0 "[ ]" 2
70 1 54 PHE QE 1 100 LYS QE . . 8.500 4.318 4.318 4.318 . 0 0 "[ ]" 2
71 1 54 PHE QE 1 119 VAL QG . . 9.740 3.424 3.424 3.424 . 0 0 "[ ]" 2
72 1 54 PHE HZ 1 100 LYS H . . 6.740 6.095 6.095 6.095 . 0 0 "[ ]" 2
73 1 54 PHE HZ 1 100 LYS HA . . 5.500 5.433 5.433 5.433 . 0 0 "[ ]" 2
74 1 54 PHE HZ 1 100 LYS QB . . 6.380 3.757 3.757 3.757 . 0 0 "[ ]" 2
75 1 54 PHE HZ 1 100 LYS HG2 . . 5.500 4.520 4.520 4.520 . 0 0 "[ ]" 2
76 1 54 PHE HZ 1 100 LYS HG3 . . 5.500 3.139 3.139 3.139 . 0 0 "[ ]" 2
77 1 54 PHE HZ 1 100 LYS QE . . 6.380 4.474 4.474 4.474 . 0 0 "[ ]" 2
78 1 55 ASP H 1 56 VAL H . . 5.220 4.435 4.435 4.435 . 0 0 "[ ]" 2
79 1 55 ASP H 1 56 VAL MG2 . . 8.340 4.205 4.205 4.205 . 0 0 "[ ]" 2
80 1 55 ASP H 1 96 GLU HA . . 6.740 4.975 4.975 4.975 . 0 0 "[ ]" 2
81 1 55 ASP H 1 103 ALA MB . . 8.340 4.788 4.788 4.788 . 0 0 "[ ]" 2
82 1 55 ASP H 1 119 VAL QG . . 9.420 3.899 3.899 3.899 . 0 0 "[ ]" 2
83 1 55 ASP H 1 120 LYS H . . 3.720 3.193 3.193 3.193 . 0 0 "[ ]" 2
84 1 55 ASP H 1 120 LYS QB . . 7.620 5.121 5.121 5.121 . 0 0 "[ ]" 2
85 1 55 ASP H 1 120 LYS QG . . 7.620 3.822 3.822 3.822 . 0 0 "[ ]" 2
86 1 55 ASP HA 1 56 VAL H . . 2.600 2.276 2.276 2.276 . 0 0 "[ ]" 2
87 1 55 ASP HA 1 56 VAL MG2 . . 6.530 3.659 3.659 3.659 . 0 0 "[ ]" 2
88 1 55 ASP HA 1 96 GLU HA . . 3.210 2.388 2.388 2.388 . 0 0 "[ ]" 2
89 1 55 ASP HA 1 97 GLY H . . 3.560 2.677 2.677 2.677 . 0 0 "[ ]" 2
90 1 55 ASP HA 1 98 VAL MG2 . . 6.530 3.226 3.226 3.226 . 0 0 "[ ]" 2
91 1 55 ASP QB 1 96 GLU HA . . 6.380 3.144 3.144 3.144 . 0 0 "[ ]" 2
92 1 55 ASP QB 1 97 GLY H . . 8.100 3.898 3.898 3.898 . 0 0 "[ ]" 2
93 1 55 ASP QB 1 120 LYS H . . 8.100 3.154 3.154 3.154 . 0 0 "[ ]" 2
94 1 56 VAL H 1 56 VAL HB . . 3.020 2.498 2.498 2.498 . 0 0 "[ ]" 2
95 1 56 VAL H 1 57 ILE H . . 5.700 4.284 4.284 4.284 . 0 0 "[ ]" 2
96 1 56 VAL H 1 57 ILE HA . . 6.740 4.861 4.861 4.861 . 0 0 "[ ]" 2
97 1 56 VAL H 1 93 ALA MB . . 8.340 4.896 4.896 4.896 . 0 0 "[ ]" 2
98 1 56 VAL H 1 94 LEU H . . 5.650 4.453 4.453 4.453 . 0 0 "[ ]" 2
99 1 56 VAL H 1 94 LEU HB3 . . 6.150 5.261 5.261 5.261 . 0 0 "[ ]" 2
100 1 56 VAL H 1 95 LYS H . . 3.210 2.865 2.865 2.865 . 0 0 "[ ]" 2
101 1 56 VAL H 1 95 LYS HB2 . . 6.280 3.187 3.187 3.187 . 0 0 "[ ]" 2
102 1 56 VAL H 1 95 LYS HB3 . . 6.740 4.685 4.685 4.685 . 0 0 "[ ]" 2
103 1 56 VAL H 1 96 GLU HA . . 3.910 3.553 3.553 3.553 . 0 0 "[ ]" 2
104 1 56 VAL H 1 98 VAL MG2 . . 5.970 3.439 3.439 3.439 . 0 0 "[ ]" 2
105 1 56 VAL HA 1 57 ILE H . . 2.640 2.185 2.185 2.185 . 0 0 "[ ]" 2
106 1 56 VAL HA 1 119 VAL HA . . 3.390 2.967 2.967 2.967 . 0 0 "[ ]" 2
107 1 56 VAL HB 1 57 ILE H . . 4.450 4.417 4.417 4.417 . 0 0 "[ ]" 2
108 1 56 VAL HB 1 94 LEU H . . 6.190 4.175 4.175 4.175 . 0 0 "[ ]" 2
109 1 56 VAL HB 1 95 LYS H . . 3.640 2.849 2.849 2.849 . 0 0 "[ ]" 2
110 1 56 VAL MG1 1 57 ILE H . . 5.970 3.099 3.099 3.099 . 0 0 "[ ]" 2
111 1 56 VAL MG2 1 57 ILE H . . 8.340 4.195 4.195 4.195 . 0 0 "[ ]" 2
112 1 56 VAL MG2 1 95 LYS H . . 6.740 4.215 4.215 4.215 . 0 0 "[ ]" 2
113 1 56 VAL MG2 1 103 ALA H . . 7.310 4.065 4.065 4.065 . 0 0 "[ ]" 2
114 1 56 VAL MG2 1 106 LEU H . . 7.360 4.800 4.800 4.800 . 0 0 "[ ]" 2
115 1 56 VAL MG2 1 107 LYS H . . 8.340 4.181 4.181 4.181 . 0 0 "[ ]" 2
116 1 56 VAL MG2 1 120 LYS H . . 8.340 4.465 4.465 4.465 . 0 0 "[ ]" 2
117 1 57 ILE H 1 57 ILE HB . . 3.050 2.374 2.374 2.374 . 0 0 "[ ]" 2
118 1 57 ILE H 1 57 ILE MD . . 5.340 3.551 3.551 3.551 . 0 0 "[ ]" 2
119 1 57 ILE H 1 58 LEU H . . 5.650 4.533 4.533 4.533 . 0 0 "[ ]" 2
120 1 57 ILE H 1 93 ALA MB . . 8.340 5.452 5.452 5.452 . 0 0 "[ ]" 2
121 1 57 ILE H 1 117 VAL QG . . 6.860 3.509 3.509 3.509 . 0 0 "[ ]" 2
122 1 57 ILE H 1 118 GLU H . . 3.560 3.127 3.127 3.127 . 0 0 "[ ]" 2
123 1 57 ILE H 1 118 GLU HB3 . . 6.740 3.183 3.183 3.183 . 0 0 "[ ]" 2
124 1 57 ILE H 1 119 VAL HA . . 3.960 3.609 3.609 3.609 . 0 0 "[ ]" 2
125 1 57 ILE HA 1 58 LEU H . . 2.800 2.306 2.306 2.306 . 0 0 "[ ]" 2
126 1 57 ILE HA 1 92 ALA H . . 5.400 4.953 4.953 4.953 . 0 0 "[ ]" 2
127 1 57 ILE HA 1 94 LEU H . . 3.120 2.227 2.227 2.227 . 0 0 "[ ]" 2
128 1 57 ILE HB 1 118 GLU H . . 4.410 3.959 3.959 3.959 . 0 0 "[ ]" 2
129 1 57 ILE MG 1 58 LEU H . . 5.650 2.203 2.203 2.203 . 0 0 "[ ]" 2
130 1 57 ILE MG 1 91 PRO HA . . 6.530 4.237 4.237 4.237 . 0 0 "[ ]" 2
131 1 57 ILE MG 1 92 ALA H . . 4.950 3.089 3.089 3.089 . 0 0 "[ ]" 2
132 1 57 ILE MG 1 93 ALA H . . 8.340 4.010 4.010 4.010 . 0 0 "[ ]" 2
133 1 57 ILE MG 1 94 LEU H . . 8.340 4.149 4.149 4.149 . 0 0 "[ ]" 2
134 1 57 ILE MG 1 118 GLU H . . 8.240 4.105 4.105 4.105 . 0 0 "[ ]" 2
135 1 57 ILE QG 1 93 ALA H . . 8.100 4.025 4.025 4.025 . 0 0 "[ ]" 2
136 1 57 ILE MD 1 118 GLU H . . 8.340 5.438 5.438 5.438 . 0 0 "[ ]" 2
137 1 58 LEU H 1 58 LEU HA . . 2.910 2.933 2.933 2.933 0.023 1 0 "[ ]" 2
138 1 58 LEU H 1 58 LEU HB2 . . 3.400 3.107 3.107 3.107 . 0 0 "[ ]" 2
139 1 58 LEU H 1 58 LEU HB3 . . 3.180 2.337 2.337 2.337 . 0 0 "[ ]" 2
140 1 58 LEU H 1 58 LEU HG . . 5.220 4.501 4.501 4.501 . 0 0 "[ ]" 2
141 1 58 LEU H 1 59 LYS H . . 4.830 4.390 4.390 4.390 . 0 0 "[ ]" 2
142 1 58 LEU H 1 92 ALA H . . 4.000 3.025 3.025 3.025 . 0 0 "[ ]" 2
143 1 58 LEU H 1 92 ALA MB . . 8.340 4.114 4.114 4.114 . 0 0 "[ ]" 2
144 1 58 LEU H 1 94 LEU MD1 . . 5.390 3.873 3.873 3.873 . 0 0 "[ ]" 2
145 1 58 LEU HA 1 59 LYS H . . 2.870 2.179 2.179 2.179 . 0 0 "[ ]" 2
146 1 58 LEU HA 1 60 ALA H . . 4.260 4.291 4.291 4.291 0.031 1 0 "[ ]" 2
147 1 58 LEU HA 1 117 VAL HA . . 3.450 2.756 2.756 2.756 . 0 0 "[ ]" 2
148 1 58 LEU HA 1 118 GLU H . . 4.320 3.547 3.547 3.547 . 0 0 "[ ]" 2
149 1 58 LEU HB2 1 59 LYS H . . 6.740 4.211 4.211 4.211 . 0 0 "[ ]" 2
150 1 58 LEU HB3 1 92 ALA H . . 5.260 3.264 3.264 3.264 . 0 0 "[ ]" 2
151 1 58 LEU QD 1 59 LYS H . . 7.720 3.382 3.382 3.382 . 0 0 "[ ]" 2
152 1 58 LEU QD 1 60 ALA H . . 7.480 3.594 3.594 3.594 . 0 0 "[ ]" 2
153 1 58 LEU QD 1 61 ALA H . . 10.160 3.367 3.367 3.367 . 0 0 "[ ]" 2
154 1 58 LEU QD 1 90 ALA H . . 10.160 4.170 4.170 4.170 . 0 0 "[ ]" 2
155 1 58 LEU QD 1 92 ALA H . . 10.160 2.647 2.647 2.647 . 0 0 "[ ]" 2
156 1 58 LEU QD 1 116 GLU H . . 8.660 4.949 4.949 4.949 . 0 0 "[ ]" 2
157 1 59 LYS H 1 59 LYS HB2 . . 3.130 2.393 2.393 2.393 . 0 0 "[ ]" 2
158 1 59 LYS H 1 59 LYS HB3 . . 4.000 3.597 3.597 3.597 . 0 0 "[ ]" 2
159 1 59 LYS H 1 59 LYS QG . . 5.080 2.638 2.638 2.638 . 0 0 "[ ]" 2
160 1 59 LYS H 1 60 ALA H . . 2.830 2.430 2.430 2.430 . 0 0 "[ ]" 2
161 1 59 LYS H 1 61 ALA H . . 5.960 5.978 5.978 5.978 0.018 1 0 "[ ]" 2
162 1 59 LYS H 1 117 VAL HA . . 3.330 2.835 2.835 2.835 . 0 0 "[ ]" 2
163 1 59 LYS H 1 118 GLU H . . 4.240 4.184 4.184 4.184 . 0 0 "[ ]" 2
164 1 59 LYS HA 1 91 PRO HA . . 3.550 3.159 3.159 3.159 . 0 0 "[ ]" 2
165 1 59 LYS HA 1 92 ALA H . . 3.960 4.064 4.064 4.064 0.104 1 0 "[ ]" 2
166 1 59 LYS HB2 1 60 ALA H . . 3.510 2.400 2.400 2.400 . 0 0 "[ ]" 2
167 1 59 LYS HB3 1 60 ALA H . . 3.330 3.358 3.358 3.358 0.028 1 0 "[ ]" 2
168 1 59 LYS HB3 1 118 GLU H . . 6.740 6.590 6.590 6.590 . 0 0 "[ ]" 2
169 1 59 LYS HG2 1 118 GLU H . . 5.780 5.317 5.317 5.317 . 0 0 "[ ]" 2
170 1 59 LYS HG3 1 118 GLU H . . 5.780 3.788 3.788 3.788 . 0 0 "[ ]" 2
171 1 59 LYS QG 1 60 ALA H . . 4.960 4.055 4.055 4.055 . 0 0 "[ ]" 2
172 1 59 LYS QG 1 118 GLU H . . 5.440 3.711 3.711 3.711 . 0 0 "[ ]" 2
173 1 60 ALA H 1 61 ALA H . . 4.570 4.264 4.264 4.264 . 0 0 "[ ]" 2
174 1 60 ALA H 1 90 ALA MB . . 6.600 4.810 4.810 4.810 . 0 0 "[ ]" 2
175 1 60 ALA H 1 116 GLU H . . 3.600 3.230 3.230 3.230 . 0 0 "[ ]" 2
176 1 60 ALA H 1 116 GLU HB2 . . 4.750 3.898 3.898 3.898 . 0 0 "[ ]" 2
177 1 60 ALA H 1 116 GLU HB3 . . 4.320 2.255 2.255 2.255 . 0 0 "[ ]" 2
178 1 60 ALA HA 1 61 ALA H . . 2.570 2.203 2.203 2.203 . 0 0 "[ ]" 2
179 1 60 ALA HA 1 62 GLY H . . 4.370 3.596 3.596 3.596 . 0 0 "[ ]" 2
180 1 60 ALA MB 1 116 GLU H . . 5.480 2.897 2.897 2.897 . 0 0 "[ ]" 2
181 1 61 ALA H 1 62 GLY H . . 3.210 2.517 2.517 2.517 . 0 0 "[ ]" 2
182 1 61 ALA H 1 115 ALA MB . . 5.700 4.529 4.529 4.529 . 0 0 "[ ]" 2
183 1 61 ALA HA 1 62 GLY H . . 3.640 3.518 3.518 3.518 . 0 0 "[ ]" 2
184 1 61 ALA HA 1 115 ALA H . . 6.740 6.209 6.209 6.209 . 0 0 "[ ]" 2
185 1 61 ALA HA 1 116 GLU H . . 4.000 4.079 4.079 4.079 0.079 1 0 "[ ]" 2
186 1 61 ALA MB 1 62 GLY H . . 4.080 2.930 2.930 2.930 . 0 0 "[ ]" 2
187 1 62 GLY H 1 62 GLY HA2 . . 2.640 2.271 2.271 2.271 . 0 0 "[ ]" 2
188 1 62 GLY H 1 62 GLY HA3 . . 2.870 2.876 2.876 2.876 0.006 1 0 "[ ]" 2
189 1 62 GLY H 1 63 ALA H . . 5.040 4.640 4.640 4.640 . 0 0 "[ ]" 2
190 1 62 GLY H 1 115 ALA MB . . 7.640 4.182 4.182 4.182 . 0 0 "[ ]" 2
191 1 62 GLY HA2 1 63 ALA H . . 3.130 2.919 2.919 2.919 . 0 0 "[ ]" 2
192 1 62 GLY HA2 1 64 ASN H . . 5.040 4.354 4.354 4.354 . 0 0 "[ ]" 2
193 1 62 GLY HA3 1 63 ALA H . . 3.440 2.362 2.362 2.362 . 0 0 "[ ]" 2
194 1 62 GLY HA3 1 64 ASN H . . 4.370 3.514 3.514 3.514 . 0 0 "[ ]" 2
195 1 63 ALA H 1 64 ASN H . . 3.020 3.099 3.099 3.099 0.079 1 0 "[ ]" 2
196 1 64 ASN H 1 64 ASN HA . . 2.870 2.864 2.864 2.864 . 0 0 "[ ]" 2
197 1 64 ASN H 1 64 ASN HB2 . . 3.290 3.100 3.100 3.100 . 0 0 "[ ]" 2
198 1 64 ASN H 1 64 ASN HB3 . . 3.250 3.107 3.107 3.107 . 0 0 "[ ]" 2
199 1 64 ASN H 1 65 LYS H . . 3.290 2.712 2.712 2.712 . 0 0 "[ ]" 2
200 1 64 ASN H 1 67 ALA MB . . 8.340 5.444 5.444 5.444 . 0 0 "[ ]" 2
201 1 64 ASN H 1 115 ALA MB . . 8.340 4.542 4.542 4.542 . 0 0 "[ ]" 2
202 1 64 ASN HA 1 65 LYS H . . 2.640 2.671 2.671 2.671 0.031 1 0 "[ ]" 2
203 1 64 ASN HA 1 66 VAL H . . 4.570 3.147 3.147 3.147 . 0 0 "[ ]" 2
204 1 64 ASN HA 1 67 ALA H . . 6.650 3.923 3.923 3.923 . 0 0 "[ ]" 2
205 1 64 ASN HB2 1 65 LYS H . . 6.690 4.701 4.701 4.701 . 0 0 "[ ]" 2
206 1 64 ASN HB3 1 67 ALA H . . 5.430 4.017 4.017 4.017 . 0 0 "[ ]" 2
207 1 64 ASN HD21 1 67 ALA MB . . 6.800 3.434 3.434 3.434 . 0 0 "[ ]" 2
208 1 64 ASN HD22 1 67 ALA MB . . 6.230 2.734 2.734 2.734 . 0 0 "[ ]" 2
209 1 64 ASN HD22 1 113 ALA MB . . 8.340 3.031 3.031 3.031 . 0 0 "[ ]" 2
210 1 65 LYS H 1 65 LYS HB2 . . 3.130 2.084 2.084 2.084 . 0 0 "[ ]" 2
211 1 65 LYS H 1 65 LYS HB3 . . 2.870 2.947 2.947 2.947 0.077 1 0 "[ ]" 2
212 1 65 LYS H 1 65 LYS HG2 . . 5.470 4.420 4.420 4.420 . 0 0 "[ ]" 2
213 1 65 LYS H 1 65 LYS HG3 . . 4.320 3.953 3.953 3.953 . 0 0 "[ ]" 2
214 1 65 LYS H 1 66 VAL H . . 3.180 2.609 2.609 2.609 . 0 0 "[ ]" 2
215 1 65 LYS H 1 66 VAL HB . . 6.690 4.686 4.686 4.686 . 0 0 "[ ]" 2
216 1 65 LYS H 1 66 VAL MG2 . . 8.340 3.912 3.912 3.912 . 0 0 "[ ]" 2
217 1 65 LYS HA 1 68 VAL H . . 3.830 3.468 3.468 3.468 . 0 0 "[ ]" 2
218 1 65 LYS HA 1 69 ILE H . . 4.240 3.770 3.770 3.770 . 0 0 "[ ]" 2
219 1 65 LYS HB2 1 66 VAL H . . 3.680 3.788 3.788 3.788 0.108 1 0 "[ ]" 2
220 1 65 LYS HB3 1 66 VAL H . . 3.800 3.253 3.253 3.253 . 0 0 "[ ]" 2
221 1 65 LYS HG2 1 66 VAL H . . 6.740 4.881 4.881 4.881 . 0 0 "[ ]" 2
222 1 65 LYS HG2 1 68 VAL H . . 6.740 5.295 5.295 5.295 . 0 0 "[ ]" 2
223 1 65 LYS HG2 1 69 ILE H . . 6.740 4.076 4.076 4.076 . 0 0 "[ ]" 2
224 1 65 LYS HG3 1 66 VAL H . . 6.740 5.328 5.328 5.328 . 0 0 "[ ]" 2
225 1 66 VAL H 1 66 VAL HB . . 2.640 2.285 2.285 2.285 . 0 0 "[ ]" 2
226 1 66 VAL H 1 66 VAL MG2 . . 3.920 2.205 2.205 2.205 . 0 0 "[ ]" 2
227 1 66 VAL H 1 67 ALA H . . 3.090 2.823 2.823 2.823 . 0 0 "[ ]" 2
228 1 66 VAL H 1 67 ALA MB . . 8.340 4.361 4.361 4.361 . 0 0 "[ ]" 2
229 1 66 VAL H 1 68 VAL H . . 5.220 3.876 3.876 3.876 . 0 0 "[ ]" 2
230 1 66 VAL HA 1 69 ILE H . . 3.830 3.685 3.685 3.685 . 0 0 "[ ]" 2
231 1 66 VAL HA 1 70 LYS H . . 6.740 4.506 4.506 4.506 . 0 0 "[ ]" 2
232 1 66 VAL HB 1 67 ALA H . . 2.830 2.333 2.333 2.333 . 0 0 "[ ]" 2
233 1 66 VAL MG1 1 67 ALA H . . 5.340 2.913 2.913 2.913 . 0 0 "[ ]" 2
234 1 66 VAL MG1 1 70 LYS H . . 6.930 4.442 4.442 4.442 . 0 0 "[ ]" 2
235 1 66 VAL MG2 1 67 ALA H . . 8.340 3.860 3.860 3.860 . 0 0 "[ ]" 2
236 1 67 ALA H 1 68 VAL H . . 2.910 2.734 2.734 2.734 . 0 0 "[ ]" 2
237 1 67 ALA H 1 68 VAL MG2 . . 8.340 4.327 4.327 4.327 . 0 0 "[ ]" 2
238 1 67 ALA H 1 69 ILE H . . 6.740 4.552 4.552 4.552 . 0 0 "[ ]" 2
239 1 67 ALA H 1 113 ALA MB . . 8.290 4.145 4.145 4.145 . 0 0 "[ ]" 2
240 1 67 ALA HA 1 70 LYS H . . 4.040 3.455 3.455 3.455 . 0 0 "[ ]" 2
241 1 67 ALA MB 1 113 ALA H . . 7.800 4.555 4.555 4.555 . 0 0 "[ ]" 2
242 1 68 VAL H 1 68 VAL HB . . 2.870 2.295 2.295 2.295 . 0 0 "[ ]" 2
243 1 68 VAL H 1 68 VAL MG2 . . 4.120 2.324 2.324 2.324 . 0 0 "[ ]" 2
244 1 68 VAL H 1 69 ILE H . . 3.330 2.871 2.871 2.871 . 0 0 "[ ]" 2
245 1 68 VAL H 1 69 ILE HB . . 4.690 4.720 4.720 4.720 0.030 1 0 "[ ]" 2
246 1 68 VAL H 1 71 ALA MB . . 5.780 4.742 4.742 4.742 . 0 0 "[ ]" 2
247 1 68 VAL HA 1 71 ALA H . . 5.260 3.265 3.265 3.265 . 0 0 "[ ]" 2
248 1 68 VAL HB 1 69 ILE H . . 3.400 2.431 2.431 2.431 . 0 0 "[ ]" 2
249 1 68 VAL MG1 1 69 ILE H . . 5.530 2.948 2.948 2.948 . 0 0 "[ ]" 2
250 1 68 VAL MG1 1 71 ALA H . . 8.290 4.544 4.544 4.544 . 0 0 "[ ]" 2
251 1 68 VAL MG2 1 69 ILE H . . 8.340 3.919 3.919 3.919 . 0 0 "[ ]" 2
252 1 69 ILE H 1 69 ILE HB . . 2.570 2.262 2.262 2.262 . 0 0 "[ ]" 2
253 1 69 ILE H 1 69 ILE MD . . 5.740 3.254 3.254 3.254 . 0 0 "[ ]" 2
254 1 69 ILE H 1 70 LYS H . . 3.440 2.823 2.823 2.823 . 0 0 "[ ]" 2
255 1 69 ILE H 1 87 VAL MG1 . . 5.700 4.504 4.504 4.504 . 0 0 "[ ]" 2
256 1 69 ILE H 1 87 VAL MG2 . . 5.700 3.914 3.914 3.914 . 0 0 "[ ]" 2
257 1 69 ILE HA 1 72 VAL H . . 4.120 3.413 3.413 3.413 . 0 0 "[ ]" 2
258 1 69 ILE HA 1 73 ARG H . . 5.560 3.878 3.878 3.878 . 0 0 "[ ]" 2
259 1 69 ILE HB 1 70 LYS H . . 2.910 2.918 2.918 2.918 0.008 1 0 "[ ]" 2
260 1 69 ILE MG 1 70 LYS H . . 5.530 3.241 3.241 3.241 . 0 0 "[ ]" 2
261 1 69 ILE MG 1 73 ARG H . . 8.340 3.719 3.719 3.719 . 0 0 "[ ]" 2
262 1 69 ILE MG 1 83 ALA H . . 6.930 5.060 5.060 5.060 . 0 0 "[ ]" 2
263 1 69 ILE MG 1 84 LYS H . . 5.530 4.191 4.191 4.191 . 0 0 "[ ]" 2
264 1 70 LYS H 1 70 LYS HG2 . . 4.690 3.550 3.550 3.550 . 0 0 "[ ]" 2
265 1 70 LYS H 1 70 LYS HG3 . . 3.870 2.514 2.514 2.514 . 0 0 "[ ]" 2
266 1 70 LYS H 1 71 ALA H . . 3.180 2.701 2.701 2.701 . 0 0 "[ ]" 2
267 1 70 LYS H 1 72 VAL H . . 6.060 3.970 3.970 3.970 . 0 0 "[ ]" 2
268 1 70 LYS HA 1 72 VAL H . . 5.830 4.317 4.317 4.317 . 0 0 "[ ]" 2
269 1 70 LYS HA 1 73 ARG H . . 4.830 4.048 4.048 4.048 . 0 0 "[ ]" 2
270 1 70 LYS QB 1 71 ALA H . . 4.290 2.546 2.546 2.546 . 0 0 "[ ]" 2
271 1 70 LYS QB 1 72 VAL H . . 8.100 4.613 4.613 4.613 . 0 0 "[ ]" 2
272 1 70 LYS HG2 1 74 GLY H . . 6.000 5.956 5.956 5.956 . 0 0 "[ ]" 2
273 1 70 LYS HG3 1 71 ALA H . . 6.740 4.567 4.567 4.567 . 0 0 "[ ]" 2
274 1 71 ALA H 1 72 VAL H . . 3.210 2.743 2.743 2.743 . 0 0 "[ ]" 2
275 1 71 ALA H 1 72 VAL HB . . 6.450 4.837 4.837 4.837 . 0 0 "[ ]" 2
276 1 71 ALA HA 1 74 GLY H . . 4.160 3.701 3.701 3.701 . 0 0 "[ ]" 2
277 1 71 ALA HA 1 75 ALA H . . 5.870 4.128 4.128 4.128 . 0 0 "[ ]" 2
278 1 71 ALA MB 1 74 GLY H . . 5.880 4.632 4.632 4.632 . 0 0 "[ ]" 2
279 1 72 VAL H 1 72 VAL HB . . 2.800 2.375 2.375 2.375 . 0 0 "[ ]" 2
280 1 72 VAL H 1 72 VAL MG2 . . 4.080 2.175 2.175 2.175 . 0 0 "[ ]" 2
281 1 72 VAL H 1 73 ARG H . . 3.250 3.124 3.124 3.124 . 0 0 "[ ]" 2
282 1 72 VAL H 1 106 LEU MD2 . . 6.100 4.900 4.900 4.900 . 0 0 "[ ]" 2
283 1 72 VAL H 1 110 LEU MD2 . . 5.700 4.634 4.634 4.634 . 0 0 "[ ]" 2
284 1 72 VAL HA 1 75 ALA H . . 4.120 3.448 3.448 3.448 . 0 0 "[ ]" 2
285 1 72 VAL HA 1 76 THR H . . 6.740 4.388 4.388 4.388 . 0 0 "[ ]" 2
286 1 72 VAL HB 1 73 ARG H . . 3.330 2.038 2.038 2.038 . 0 0 "[ ]" 2
287 1 72 VAL MG1 1 73 ARG H . . 5.700 2.584 2.584 2.584 . 0 0 "[ ]" 2
288 1 72 VAL MG1 1 76 THR H . . 7.550 4.325 4.325 4.325 . 0 0 "[ ]" 2
289 1 72 VAL MG2 1 73 ARG H . . 6.230 3.703 3.703 3.703 . 0 0 "[ ]" 2
290 1 73 ARG H 1 73 ARG QG . . 5.130 2.213 2.213 2.213 . 0 0 "[ ]" 2
291 1 73 ARG H 1 73 ARG HD2 . . 6.740 4.340 4.340 4.340 . 0 0 "[ ]" 2
292 1 73 ARG H 1 73 ARG HD3 . . 6.740 4.732 4.732 4.732 . 0 0 "[ ]" 2
293 1 73 ARG H 1 74 GLY H . . 3.330 2.808 2.808 2.808 . 0 0 "[ ]" 2
294 1 73 ARG H 1 75 ALA H . . 4.870 4.341 4.341 4.341 . 0 0 "[ ]" 2
295 1 73 ARG H 1 83 ALA MB . . 5.390 3.005 3.005 3.005 . 0 0 "[ ]" 2
296 1 73 ARG HA 1 75 ALA H . . 4.830 4.212 4.212 4.212 . 0 0 "[ ]" 2
297 1 73 ARG HA 1 76 THR H . . 3.640 3.269 3.269 3.269 . 0 0 "[ ]" 2
298 1 73 ARG HA 1 77 GLY H . . 3.050 2.188 2.188 2.188 . 0 0 "[ ]" 2
299 1 73 ARG HA 1 78 LEU H . . 3.680 2.672 2.672 2.672 . 0 0 "[ ]" 2
300 1 73 ARG QG 1 74 GLY H . . 5.880 2.108 2.108 2.108 . 0 0 "[ ]" 2
301 1 74 GLY H 1 74 GLY HA3 . . 2.710 2.257 2.257 2.257 . 0 0 "[ ]" 2
302 1 74 GLY H 1 75 ALA H . . 2.980 2.530 2.530 2.530 . 0 0 "[ ]" 2
303 1 74 GLY H 1 76 THR H . . 5.780 3.758 3.758 3.758 . 0 0 "[ ]" 2
304 1 74 GLY H 1 77 GLY H . . 6.230 4.771 4.771 4.771 . 0 0 "[ ]" 2
305 1 74 GLY HA3 1 75 ALA H . . 3.400 2.980 2.980 2.980 . 0 0 "[ ]" 2
306 1 74 GLY HA3 1 77 GLY H . . 6.230 5.919 5.919 5.919 . 0 0 "[ ]" 2
307 1 75 ALA H 1 76 THR H . . 2.980 2.273 2.273 2.273 . 0 0 "[ ]" 2
308 1 75 ALA H 1 76 THR MG . . 8.340 3.556 3.556 3.556 . 0 0 "[ ]" 2
309 1 75 ALA H 1 77 GLY H . . 5.180 4.508 4.508 4.508 . 0 0 "[ ]" 2
310 1 76 THR H 1 76 THR HG1 . . 3.150 2.066 2.066 2.066 . 0 0 "[ ]" 2
311 1 76 THR H 1 77 GLY H . . 2.570 2.574 2.574 2.574 0.004 1 0 "[ ]" 2
312 1 76 THR H 1 94 LEU MD2 . . 8.340 4.981 4.981 4.981 . 0 0 "[ ]" 2
313 1 76 THR HA 1 78 LEU H . . 5.390 4.767 4.767 4.767 . 0 0 "[ ]" 2
314 1 76 THR HB 1 77 GLY H . . 4.570 3.086 3.086 3.086 . 0 0 "[ ]" 2
315 1 76 THR HB 1 78 LEU H . . 3.440 3.278 3.278 3.278 . 0 0 "[ ]" 2
316 1 76 THR MG 1 77 GLY H . . 7.550 3.611 3.611 3.611 . 0 0 "[ ]" 2
317 1 76 THR MG 1 78 LEU H . . 7.070 4.158 4.158 4.158 . 0 0 "[ ]" 2
318 1 76 THR MG 1 96 GLU H . . 8.340 6.194 6.194 6.194 . 0 0 "[ ]" 2
319 1 76 THR HG1 1 77 GLY H . . 4.870 2.420 2.420 2.420 . 0 0 "[ ]" 2
320 1 76 THR HG1 1 78 LEU H . . 4.160 3.284 3.284 3.284 . 0 0 "[ ]" 2
321 1 77 GLY H 1 78 LEU H . . 3.130 1.801 1.801 1.801 . 0 0 "[ ]" 2
322 1 77 GLY H 1 78 LEU HB2 . . 4.240 3.901 3.901 3.901 . 0 0 "[ ]" 2
323 1 77 GLY H 1 94 LEU MD2 . . 8.340 6.163 6.163 6.163 . 0 0 "[ ]" 2
324 1 78 LEU H 1 78 LEU HB2 . . 2.800 2.339 2.339 2.339 . 0 0 "[ ]" 2
325 1 78 LEU H 1 78 LEU HB3 . . 3.800 3.530 3.530 3.530 . 0 0 "[ ]" 2
326 1 78 LEU H 1 78 LEU HG . . 2.940 2.455 2.455 2.455 . 0 0 "[ ]" 2
327 1 78 LEU H 1 78 LEU MD1 . . 5.780 3.330 3.330 3.330 . 0 0 "[ ]" 2
328 1 78 LEU H 1 78 LEU MD2 . . 5.530 3.727 3.727 3.727 . 0 0 "[ ]" 2
329 1 78 LEU H 1 79 GLY H . . 6.740 4.651 4.651 4.651 . 0 0 "[ ]" 2
330 1 78 LEU HA 1 79 GLY H . . 2.600 2.367 2.367 2.367 . 0 0 "[ ]" 2
331 1 78 LEU HB2 1 79 GLY H . . 4.280 3.920 3.920 3.920 . 0 0 "[ ]" 2
332 1 78 LEU HB3 1 79 GLY H . . 3.480 2.716 2.716 2.716 . 0 0 "[ ]" 2
333 1 78 LEU HB3 1 82 GLU H . . 4.570 4.653 4.653 4.653 0.083 1 0 "[ ]" 2
334 1 78 LEU HB3 1 83 ALA H . . 4.830 3.775 3.775 3.775 . 0 0 "[ ]" 2
335 1 78 LEU MD1 1 79 GLY H . . 8.340 4.800 4.800 4.800 . 0 0 "[ ]" 2
336 1 78 LEU MD1 1 82 GLU H . . 8.340 5.921 5.921 5.921 . 0 0 "[ ]" 2
337 1 78 LEU MD1 1 83 ALA H . . 8.340 4.692 4.692 4.692 . 0 0 "[ ]" 2
338 1 78 LEU MD2 1 79 GLY H . . 5.700 3.348 3.348 3.348 . 0 0 "[ ]" 2
339 1 78 LEU MD2 1 82 GLU H . . 8.340 5.590 5.590 5.590 . 0 0 "[ ]" 2
340 1 78 LEU MD2 1 83 ALA H . . 7.120 5.387 5.387 5.387 . 0 0 "[ ]" 2
341 1 79 GLY H 1 79 GLY HA3 . . 2.750 2.247 2.247 2.247 . 0 0 "[ ]" 2
342 1 79 GLY H 1 82 GLU HB2 . . 4.830 2.735 2.735 2.735 . 0 0 "[ ]" 2
343 1 79 GLY H 1 82 GLU HB3 . . 5.870 4.060 4.060 4.060 . 0 0 "[ ]" 2
344 1 79 GLY HA2 1 80 LEU H . . 2.830 2.280 2.280 2.280 . 0 0 "[ ]" 2
345 1 79 GLY HA3 1 80 LEU H . . 2.980 3.050 3.050 3.050 0.070 1 0 "[ ]" 2
346 1 80 LEU H 1 80 LEU HB2 . . 2.830 2.110 2.110 2.110 . 0 0 "[ ]" 2
347 1 80 LEU H 1 80 LEU HB3 . . 2.940 2.862 2.862 2.862 . 0 0 "[ ]" 2
348 1 80 LEU H 1 80 LEU HG . . 5.180 4.486 4.486 4.486 . 0 0 "[ ]" 2
349 1 80 LEU H 1 81 LYS H . . 3.400 2.992 2.992 2.992 . 0 0 "[ ]" 2
350 1 80 LEU HA 1 83 ALA H . . 4.240 3.726 3.726 3.726 . 0 0 "[ ]" 2
351 1 80 LEU HB2 1 81 LYS H . . 3.560 3.654 3.654 3.654 0.094 1 0 "[ ]" 2
352 1 80 LEU HB3 1 81 LYS H . . 2.910 2.582 2.582 2.582 . 0 0 "[ ]" 2
353 1 80 LEU HG 1 81 LYS H . . 5.220 4.330 4.330 4.330 . 0 0 "[ ]" 2
354 1 80 LEU QD 1 81 LYS H . . 10.160 4.059 4.059 4.059 . 0 0 "[ ]" 2
355 1 80 LEU QD 1 83 ALA H . . 9.070 4.978 4.978 4.978 . 0 0 "[ ]" 2
356 1 80 LEU QD 1 84 LYS H . . 8.370 4.657 4.657 4.657 . 0 0 "[ ]" 2
357 1 81 LYS H 1 81 LYS HB2 . . 2.870 2.398 2.398 2.398 . 0 0 "[ ]" 2
358 1 81 LYS H 1 81 LYS HB3 . . 2.870 2.524 2.524 2.524 . 0 0 "[ ]" 2
359 1 81 LYS H 1 82 GLU H . . 2.940 2.943 2.943 2.943 0.003 1 0 "[ ]" 2
360 1 81 LYS HA 1 84 LYS H . . 3.760 3.296 3.296 3.296 . 0 0 "[ ]" 2
361 1 81 LYS HA 1 85 ASP H . . 4.160 3.926 3.926 3.926 . 0 0 "[ ]" 2
362 1 81 LYS HB2 1 82 GLU H . . 5.220 3.702 3.702 3.702 . 0 0 "[ ]" 2
363 1 81 LYS HB3 1 82 GLU H . . 2.940 2.257 2.257 2.257 . 0 0 "[ ]" 2
364 1 81 LYS HG2 1 82 GLU H . . 5.390 3.466 3.466 3.466 . 0 0 "[ ]" 2
365 1 81 LYS HG3 1 82 GLU H . . 5.390 4.566 4.566 4.566 . 0 0 "[ ]" 2
366 1 82 GLU H 1 82 GLU HB2 . . 2.830 2.411 2.411 2.411 . 0 0 "[ ]" 2
367 1 82 GLU H 1 82 GLU HG2 . . 3.760 2.322 2.322 2.322 . 0 0 "[ ]" 2
368 1 82 GLU H 1 82 GLU HG3 . . 3.760 3.296 3.296 3.296 . 0 0 "[ ]" 2
369 1 82 GLU H 1 82 GLU QG . . 3.440 2.277 2.277 2.277 . 0 0 "[ ]" 2
370 1 82 GLU H 1 83 ALA H . . 3.210 3.014 3.014 3.014 . 0 0 "[ ]" 2
371 1 82 GLU HA 1 85 ASP H . . 3.560 3.640 3.640 3.640 0.080 1 0 "[ ]" 2
372 1 82 GLU HB2 1 83 ALA H . . 3.400 2.654 2.654 2.654 . 0 0 "[ ]" 2
373 1 82 GLU HB3 1 83 ALA H . . 3.960 3.427 3.427 3.427 . 0 0 "[ ]" 2
374 1 83 ALA H 1 84 LYS H . . 3.050 2.699 2.699 2.699 . 0 0 "[ ]" 2
375 1 83 ALA H 1 84 LYS HB3 . . 6.320 4.790 4.790 4.790 . 0 0 "[ ]" 2
376 1 83 ALA H 1 85 ASP H . . 4.530 4.381 4.381 4.381 . 0 0 "[ ]" 2
377 1 83 ALA H 1 86 LEU QB . . 6.620 4.582 4.582 4.582 . 0 0 "[ ]" 2
378 1 83 ALA HA 1 86 LEU H . . 3.680 3.482 3.482 3.482 . 0 0 "[ ]" 2
379 1 83 ALA HA 1 87 VAL H . . 4.690 4.097 4.097 4.097 . 0 0 "[ ]" 2
380 1 83 ALA MB 1 87 VAL H . . 7.550 4.570 4.570 4.570 . 0 0 "[ ]" 2
381 1 84 LYS H 1 84 LYS HB2 . . 2.870 2.506 2.506 2.506 . 0 0 "[ ]" 2
382 1 84 LYS H 1 84 LYS HB3 . . 2.910 2.413 2.413 2.413 . 0 0 "[ ]" 2
383 1 84 LYS H 1 84 LYS QG . . 5.050 3.917 3.917 3.917 . 0 0 "[ ]" 2
384 1 84 LYS H 1 84 LYS HD3 . . 4.830 4.739 4.739 4.739 . 0 0 "[ ]" 2
385 1 84 LYS H 1 85 ASP H . . 3.090 2.856 2.856 2.856 . 0 0 "[ ]" 2
386 1 84 LYS H 1 86 LEU H . . 4.950 4.175 4.175 4.175 . 0 0 "[ ]" 2
387 1 84 LYS HA 1 87 VAL H . . 3.680 3.712 3.712 3.712 0.032 1 0 "[ ]" 2
388 1 84 LYS HB2 1 85 ASP H . . 3.960 3.888 3.888 3.888 . 0 0 "[ ]" 2
389 1 84 LYS HB3 1 85 ASP H . . 2.980 2.498 2.498 2.498 . 0 0 "[ ]" 2
390 1 84 LYS QG 1 85 ASP H . . 6.340 3.327 3.327 3.327 . 0 0 "[ ]" 2
391 1 84 LYS QG 1 88 GLU H . . 8.100 4.164 4.164 4.164 . 0 0 "[ ]" 2
392 1 84 LYS HD3 1 85 ASP H . . 5.600 4.785 4.785 4.785 . 0 0 "[ ]" 2
393 1 85 ASP H 1 85 ASP HB2 . . 2.910 2.547 2.547 2.547 . 0 0 "[ ]" 2
394 1 85 ASP H 1 85 ASP HB3 . . 3.680 3.550 3.550 3.550 . 0 0 "[ ]" 2
395 1 85 ASP H 1 86 LEU H . . 2.940 2.797 2.797 2.797 . 0 0 "[ ]" 2
396 1 85 ASP H 1 86 LEU QB . . 5.480 4.432 4.432 4.432 . 0 0 "[ ]" 2
397 1 85 ASP H 1 86 LEU QD . . 9.910 5.574 5.574 5.574 . 0 0 "[ ]" 2
398 1 85 ASP HA 1 88 GLU H . . 4.280 3.367 3.367 3.367 . 0 0 "[ ]" 2
399 1 85 ASP HA 1 89 SER H . . 6.000 4.448 4.448 4.448 . 0 0 "[ ]" 2
400 1 85 ASP HB2 1 86 LEU H . . 3.480 2.406 2.406 2.406 . 0 0 "[ ]" 2
401 1 85 ASP HB3 1 86 LEU H . . 3.800 3.575 3.575 3.575 . 0 0 "[ ]" 2
402 1 86 LEU H 1 86 LEU QB . . 3.920 2.165 2.165 2.165 . 0 0 "[ ]" 2
403 1 86 LEU H 1 86 LEU HG . . 4.610 4.368 4.368 4.368 . 0 0 "[ ]" 2
404 1 86 LEU H 1 87 VAL H . . 3.210 3.010 3.010 3.010 . 0 0 "[ ]" 2
405 1 86 LEU H 1 87 VAL HB . . 5.700 4.996 4.996 4.996 . 0 0 "[ ]" 2
406 1 86 LEU H 1 87 VAL MG2 . . 8.290 4.534 4.534 4.534 . 0 0 "[ ]" 2
407 1 86 LEU HA 1 88 GLU H . . 6.060 4.413 4.413 4.413 . 0 0 "[ ]" 2
408 1 86 LEU QB 1 87 VAL H . . 4.470 2.343 2.343 2.343 . 0 0 "[ ]" 2
409 1 86 LEU QB 1 89 SER H . . 8.100 4.820 4.820 4.820 . 0 0 "[ ]" 2
410 1 86 LEU HG 1 87 VAL H . . 5.780 4.311 4.311 4.311 . 0 0 "[ ]" 2
411 1 86 LEU MD1 1 93 ALA H . . 8.340 4.746 4.746 4.746 . 0 0 "[ ]" 2
412 1 86 LEU MD1 1 94 LEU H . . 6.800 5.472 5.472 5.472 . 0 0 "[ ]" 2
413 1 86 LEU MD2 1 93 ALA H . . 8.340 4.787 4.787 4.787 . 0 0 "[ ]" 2
414 1 86 LEU MD2 1 94 LEU H . . 6.800 5.085 5.085 5.085 . 0 0 "[ ]" 2
415 1 86 LEU QD 1 87 VAL H . . 7.760 2.841 2.841 2.841 . 0 0 "[ ]" 2
416 1 86 LEU QD 1 93 ALA H . . 7.870 4.246 4.246 4.246 . 0 0 "[ ]" 2
417 1 86 LEU QD 1 94 LEU H . . 6.510 4.681 4.681 4.681 . 0 0 "[ ]" 2
418 1 87 VAL H 1 87 VAL HB . . 2.750 2.313 2.313 2.313 . 0 0 "[ ]" 2
419 1 87 VAL H 1 87 VAL MG2 . . 4.250 2.144 2.144 2.144 . 0 0 "[ ]" 2
420 1 87 VAL H 1 88 GLU H . . 3.290 2.681 2.681 2.681 . 0 0 "[ ]" 2
421 1 87 VAL H 1 88 GLU HB2 . . 5.220 4.727 4.727 4.727 . 0 0 "[ ]" 2
422 1 87 VAL H 1 89 SER H . . 5.910 3.930 3.930 3.930 . 0 0 "[ ]" 2
423 1 87 VAL H 1 92 ALA MB . . 7.020 4.548 4.548 4.548 . 0 0 "[ ]" 2
424 1 87 VAL HA 1 89 SER H . . 5.180 3.731 3.731 3.731 . 0 0 "[ ]" 2
425 1 87 VAL HA 1 90 ALA H . . 4.650 3.950 3.950 3.950 . 0 0 "[ ]" 2
426 1 87 VAL HB 1 88 GLU H . . 3.020 2.800 2.800 2.800 . 0 0 "[ ]" 2
427 1 87 VAL MG1 1 88 GLU H . . 8.340 3.446 3.446 3.446 . 0 0 "[ ]" 2
428 1 87 VAL MG1 1 89 SER H . . 8.340 4.592 4.592 4.592 . 0 0 "[ ]" 2
429 1 87 VAL MG2 1 88 GLU H . . 8.340 4.014 4.014 4.014 . 0 0 "[ ]" 2
430 1 88 GLU H 1 88 GLU HB2 . . 3.230 2.270 2.270 2.270 . 0 0 "[ ]" 2
431 1 88 GLU H 1 88 GLU HB3 . . 3.870 3.514 3.514 3.514 . 0 0 "[ ]" 2
432 1 88 GLU H 1 88 GLU HG2 . . 4.240 3.666 3.666 3.666 . 0 0 "[ ]" 2
433 1 88 GLU H 1 88 GLU HG3 . . 4.240 2.564 2.564 2.564 . 0 0 "[ ]" 2
434 1 88 GLU H 1 88 GLU QG . . 3.820 2.517 2.517 2.517 . 0 0 "[ ]" 2
435 1 88 GLU H 1 89 SER H . . 2.940 2.563 2.563 2.563 . 0 0 "[ ]" 2
436 1 88 GLU H 1 90 ALA H . . 5.040 4.317 4.317 4.317 . 0 0 "[ ]" 2
437 1 88 GLU HA 1 90 ALA H . . 4.450 3.516 3.516 3.516 . 0 0 "[ ]" 2
438 1 88 GLU HB2 1 89 SER H . . 3.540 3.383 3.383 3.383 . 0 0 "[ ]" 2
439 1 88 GLU HB3 1 89 SER H . . 4.060 4.065 4.065 4.065 0.005 1 0 "[ ]" 2
440 1 88 GLU QG 1 89 SER H . . 7.620 4.440 4.440 4.440 . 0 0 "[ ]" 2
441 1 89 SER H 1 89 SER HG . . 5.510 3.636 3.636 3.636 . 0 0 "[ ]" 2
442 1 89 SER H 1 90 ALA H . . 2.940 2.597 2.597 2.597 . 0 0 "[ ]" 2
443 1 89 SER H 1 90 ALA MB . . 6.800 4.102 4.102 4.102 . 0 0 "[ ]" 2
444 1 89 SER H 1 92 ALA MB . . 6.740 4.012 4.012 4.012 . 0 0 "[ ]" 2
445 1 90 ALA H 1 90 ALA HA . . 2.750 2.751 2.751 2.751 0.001 1 0 "[ ]" 2
446 1 90 ALA H 1 91 PRO HA . . 6.650 4.476 4.476 4.476 . 0 0 "[ ]" 2
447 1 90 ALA HA 1 91 PRO HA . . 3.140 2.027 2.027 2.027 . 0 0 "[ ]" 2
448 1 90 ALA HA 1 92 ALA H . . 3.050 2.948 2.948 2.948 . 0 0 "[ ]" 2
449 1 91 PRO HA 1 92 ALA H . . 2.680 2.325 2.325 2.325 . 0 0 "[ ]" 2
450 1 91 PRO HB2 1 92 ALA H . . 3.870 3.003 3.003 3.003 . 0 0 "[ ]" 2
451 1 91 PRO HB3 1 92 ALA H . . 4.040 3.554 3.554 3.554 . 0 0 "[ ]" 2
452 1 92 ALA H 1 93 ALA H . . 5.910 4.262 4.262 4.262 . 0 0 "[ ]" 2
453 1 92 ALA HA 1 93 ALA H . . 2.570 2.228 2.228 2.228 . 0 0 "[ ]" 2
454 1 93 ALA H 1 94 LEU MD2 . . 8.340 6.289 6.289 6.289 . 0 0 "[ ]" 2
455 1 93 ALA HA 1 94 LEU H . . 2.910 2.201 2.201 2.201 . 0 0 "[ ]" 2
456 1 93 ALA HA 1 95 LYS H . . 4.080 4.152 4.152 4.152 0.072 1 0 "[ ]" 2
457 1 93 ALA MB 1 95 LYS H . . 6.600 3.756 3.756 3.756 . 0 0 "[ ]" 2
458 1 94 LEU H 1 94 LEU HB2 . . 3.210 2.114 2.114 2.114 . 0 0 "[ ]" 2
459 1 94 LEU H 1 94 LEU HB3 . . 3.960 3.380 3.380 3.380 . 0 0 "[ ]" 2
460 1 94 LEU H 1 94 LEU HG . . 4.690 3.324 3.324 3.324 . 0 0 "[ ]" 2
461 1 94 LEU H 1 95 LYS H . . 2.830 2.432 2.432 2.432 . 0 0 "[ ]" 2
462 1 94 LEU HB2 1 95 LYS H . . 3.800 2.799 2.799 2.799 . 0 0 "[ ]" 2
463 1 94 LEU HB3 1 95 LYS H . . 3.700 3.088 3.088 3.088 . 0 0 "[ ]" 2
464 1 94 LEU HG 1 95 LYS H . . 6.740 4.875 4.875 4.875 . 0 0 "[ ]" 2
465 1 94 LEU MD1 1 95 LYS H . . 5.830 4.573 4.573 4.573 . 0 0 "[ ]" 2
466 1 94 LEU MD2 1 95 LYS H . . 6.510 4.622 4.622 4.622 . 0 0 "[ ]" 2
467 1 95 LYS H 1 95 LYS HB2 . . 3.610 3.042 3.042 3.042 . 0 0 "[ ]" 2
468 1 95 LYS H 1 95 LYS HB3 . . 4.000 3.939 3.939 3.939 . 0 0 "[ ]" 2
469 1 95 LYS H 1 96 GLU H . . 6.230 4.395 4.395 4.395 . 0 0 "[ ]" 2
470 1 95 LYS HA 1 96 GLU H . . 2.570 2.399 2.399 2.399 . 0 0 "[ ]" 2
471 1 95 LYS HB2 1 96 GLU H . . 3.440 3.530 3.530 3.530 0.090 1 0 "[ ]" 2
472 1 95 LYS HB3 1 96 GLU H . . 3.800 2.763 2.763 2.763 . 0 0 "[ ]" 2
473 1 96 GLU H 1 96 GLU HB2 . . 2.980 2.764 2.764 2.764 . 0 0 "[ ]" 2
474 1 96 GLU H 1 96 GLU HB3 . . 4.040 3.832 3.832 3.832 . 0 0 "[ ]" 2
475 1 96 GLU H 1 96 GLU HG2 . . 3.960 4.019 4.019 4.019 0.059 1 0 "[ ]" 2
476 1 96 GLU H 1 96 GLU HG3 . . 3.330 3.155 3.155 3.155 . 0 0 "[ ]" 2
477 1 96 GLU H 1 98 VAL MG1 . . 6.980 2.715 2.715 2.715 . 0 0 "[ ]" 2
478 1 96 GLU HA 1 97 GLY H . . 2.570 2.212 2.212 2.212 . 0 0 "[ ]" 2
479 1 96 GLU HA 1 98 VAL H . . 5.120 4.093 4.093 4.093 . 0 0 "[ ]" 2
480 1 96 GLU HB2 1 97 GLY H . . 4.610 4.318 4.318 4.318 . 0 0 "[ ]" 2
481 1 96 GLU HB3 1 97 GLY H . . 3.400 3.430 3.430 3.430 0.030 1 0 "[ ]" 2
482 1 96 GLU HG2 1 97 GLY H . . 6.740 4.397 4.397 4.397 . 0 0 "[ ]" 2
483 1 97 GLY H 1 97 GLY HA2 . . 2.910 2.249 2.249 2.249 . 0 0 "[ ]" 2
484 1 97 GLY H 1 98 VAL H . . 3.400 2.735 2.735 2.735 . 0 0 "[ ]" 2
485 1 97 GLY H 1 98 VAL MG2 . . 8.340 3.627 3.627 3.627 . 0 0 "[ ]" 2
486 1 97 GLY HA2 1 98 VAL H . . 3.440 2.749 2.749 2.749 . 0 0 "[ ]" 2
487 1 98 VAL H 1 98 VAL MG1 . . 4.330 2.882 2.882 2.882 . 0 0 "[ ]" 2
488 1 98 VAL H 1 98 VAL MG2 . . 3.960 2.049 2.049 2.049 . 0 0 "[ ]" 2
489 1 98 VAL H 1 99 SER H . . 5.300 4.520 4.520 4.520 . 0 0 "[ ]" 2
490 1 98 VAL HA 1 99 SER H . . 2.880 2.435 2.435 2.435 . 0 0 "[ ]" 2
491 1 98 VAL HB 1 99 SER H . . 2.600 2.558 2.558 2.558 . 0 0 "[ ]" 2
492 1 98 VAL MG1 1 99 SER H . . 5.610 3.664 3.664 3.664 . 0 0 "[ ]" 2
493 1 98 VAL MG2 1 99 SER H . . 5.930 3.663 3.663 3.663 . 0 0 "[ ]" 2
494 1 98 VAL MG2 1 102 ASP H . . 8.340 4.862 4.862 4.862 . 0 0 "[ ]" 2
495 1 99 SER H 1 99 SER HB2 . . 3.560 3.550 3.550 3.550 . 0 0 "[ ]" 2
496 1 99 SER H 1 99 SER HB3 . . 3.050 2.509 2.509 2.509 . 0 0 "[ ]" 2
497 1 99 SER H 1 99 SER HG . . 3.290 2.198 2.198 2.198 . 0 0 "[ ]" 2
498 1 99 SER H 1 100 LYS H . . 5.390 4.657 4.657 4.657 . 0 0 "[ ]" 2
499 1 99 SER H 1 102 ASP HB2 . . 3.680 3.248 3.248 3.248 . 0 0 "[ ]" 2
500 1 99 SER H 1 102 ASP HB3 . . 4.530 4.606 4.606 4.606 0.076 1 0 "[ ]" 2
501 1 99 SER H 1 103 ALA H . . 5.830 4.882 4.882 4.882 . 0 0 "[ ]" 2
502 1 99 SER HA 1 100 LYS H . . 2.870 2.330 2.330 2.330 . 0 0 "[ ]" 2
503 1 99 SER HA 1 101 ASP H . . 4.570 4.281 4.281 4.281 . 0 0 "[ ]" 2
504 1 99 SER HB2 1 100 LYS H . . 3.330 2.927 2.927 2.927 . 0 0 "[ ]" 2
505 1 99 SER HB2 1 101 ASP H . . 3.680 2.970 2.970 2.970 . 0 0 "[ ]" 2
506 1 99 SER HB3 1 100 LYS H . . 4.080 4.055 4.055 4.055 . 0 0 "[ ]" 2
507 1 99 SER HB3 1 101 ASP H . . 5.700 4.651 4.651 4.651 . 0 0 "[ ]" 2
508 1 99 SER HG 1 102 ASP H . . 5.220 3.199 3.199 3.199 . 0 0 "[ ]" 2
509 1 100 LYS H 1 100 LYS HD2 . . 6.740 4.818 4.818 4.818 . 0 0 "[ ]" 2
510 1 100 LYS H 1 101 ASP H . . 3.330 2.771 2.771 2.771 . 0 0 "[ ]" 2
511 1 100 LYS HA 1 103 ALA H . . 4.320 3.247 3.247 3.247 . 0 0 "[ ]" 2
512 1 100 LYS HA 1 104 GLU H . . 5.700 3.926 3.926 3.926 . 0 0 "[ ]" 2
513 1 100 LYS QB 1 101 ASP H . . 4.250 2.633 2.633 2.633 . 0 0 "[ ]" 2
514 1 100 LYS QB 1 102 ASP H . . 7.500 4.825 4.825 4.825 . 0 0 "[ ]" 2
515 1 100 LYS HG2 1 101 ASP H . . 6.740 4.482 4.482 4.482 . 0 0 "[ ]" 2
516 1 100 LYS HG3 1 101 ASP H . . 6.740 5.103 5.103 5.103 . 0 0 "[ ]" 2
517 1 100 LYS HD2 1 101 ASP H . . 6.740 4.144 4.144 4.144 . 0 0 "[ ]" 2
518 1 101 ASP H 1 101 ASP HB2 . . 2.870 2.489 2.489 2.489 . 0 0 "[ ]" 2
519 1 101 ASP H 1 101 ASP HB3 . . 3.510 3.550 3.550 3.550 0.040 1 0 "[ ]" 2
520 1 101 ASP H 1 102 ASP H . . 2.870 2.794 2.794 2.794 . 0 0 "[ ]" 2
521 1 101 ASP H 1 102 ASP HB2 . . 6.740 4.795 4.795 4.795 . 0 0 "[ ]" 2
522 1 101 ASP H 1 103 ALA H . . 5.910 4.177 4.177 4.177 . 0 0 "[ ]" 2
523 1 101 ASP H 1 103 ALA MB . . 8.340 4.737 4.737 4.737 . 0 0 "[ ]" 2
524 1 101 ASP H 1 104 GLU QB . . 8.100 5.018 5.018 5.018 . 0 0 "[ ]" 2
525 1 101 ASP HA 1 104 GLU H . . 3.960 3.692 3.692 3.692 . 0 0 "[ ]" 2
526 1 101 ASP HB2 1 102 ASP H . . 3.180 2.499 2.499 2.499 . 0 0 "[ ]" 2
527 1 101 ASP HB3 1 102 ASP H . . 4.000 3.575 3.575 3.575 . 0 0 "[ ]" 2
528 1 102 ASP H 1 102 ASP HA . . 2.910 2.779 2.779 2.779 . 0 0 "[ ]" 2
529 1 102 ASP H 1 102 ASP HB2 . . 3.050 2.267 2.267 2.267 . 0 0 "[ ]" 2
530 1 102 ASP H 1 102 ASP HB3 . . 3.910 3.506 3.506 3.506 . 0 0 "[ ]" 2
531 1 102 ASP H 1 103 ALA H . . 3.050 2.596 2.596 2.596 . 0 0 "[ ]" 2
532 1 102 ASP H 1 103 ALA MB . . 8.130 4.193 4.193 4.193 . 0 0 "[ ]" 2
533 1 102 ASP HA 1 105 ALA H . . 3.360 3.323 3.323 3.323 . 0 0 "[ ]" 2
534 1 102 ASP HB2 1 103 ALA H . . 3.720 2.592 2.592 2.592 . 0 0 "[ ]" 2
535 1 102 ASP HB3 1 103 ALA H . . 3.800 3.437 3.437 3.437 . 0 0 "[ ]" 2
536 1 103 ALA H 1 104 GLU H . . 3.290 2.767 2.767 2.767 . 0 0 "[ ]" 2
537 1 103 ALA H 1 104 GLU QB . . 8.100 4.510 4.510 4.510 . 0 0 "[ ]" 2
538 1 103 ALA H 1 105 ALA MB . . 8.340 4.529 4.529 4.529 . 0 0 "[ ]" 2
539 1 103 ALA H 1 119 VAL QG . . 7.610 5.702 5.702 5.702 . 0 0 "[ ]" 2
540 1 103 ALA HA 1 106 LEU H . . 4.650 3.823 3.823 3.823 . 0 0 "[ ]" 2
541 1 103 ALA HA 1 107 LYS H . . 6.000 4.176 4.176 4.176 . 0 0 "[ ]" 2
542 1 103 ALA MB 1 105 ALA H . . 8.340 4.272 4.272 4.272 . 0 0 "[ ]" 2
543 1 103 ALA MB 1 107 LYS H . . 8.290 4.675 4.675 4.675 . 0 0 "[ ]" 2
544 1 103 ALA MB 1 120 LYS H . . 8.340 5.531 5.531 5.531 . 0 0 "[ ]" 2
545 1 104 GLU H 1 104 GLU HG2 . . 4.490 4.458 4.458 4.458 . 0 0 "[ ]" 2
546 1 104 GLU H 1 104 GLU HG3 . . 4.490 4.294 4.294 4.294 . 0 0 "[ ]" 2
547 1 104 GLU H 1 104 GLU QG . . 4.280 3.893 3.893 3.893 . 0 0 "[ ]" 2
548 1 104 GLU H 1 105 ALA H . . 2.910 2.513 2.513 2.513 . 0 0 "[ ]" 2
549 1 104 GLU H 1 105 ALA MB . . 6.600 4.125 4.125 4.125 . 0 0 "[ ]" 2
550 1 104 GLU H 1 106 LEU H . . 5.260 4.491 4.491 4.491 . 0 0 "[ ]" 2
551 1 104 GLU H 1 119 VAL QG . . 9.720 4.989 4.989 4.989 . 0 0 "[ ]" 2
552 1 104 GLU HA 1 107 LYS H . . 3.600 3.241 3.241 3.241 . 0 0 "[ ]" 2
553 1 104 GLU HA 1 108 LYS H . . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 2
554 1 104 GLU QB 1 105 ALA H . . 4.430 3.005 3.005 3.005 . 0 0 "[ ]" 2
555 1 104 GLU QG 1 105 ALA H . . 7.620 4.299 4.299 4.299 . 0 0 "[ ]" 2
556 1 105 ALA H 1 108 LYS QB . . 6.980 5.588 5.588 5.588 . 0 0 "[ ]" 2
557 1 105 ALA HA 1 108 LYS H . . 3.680 3.791 3.791 3.791 0.111 1 0 "[ ]" 2
558 1 105 ALA MB 1 106 LEU H . . 4.170 2.403 2.403 2.403 . 0 0 "[ ]" 2
559 1 106 LEU H 1 106 LEU HA . . 3.010 2.828 2.828 2.828 . 0 0 "[ ]" 2
560 1 106 LEU H 1 106 LEU HB2 . . 2.980 2.306 2.306 2.306 . 0 0 "[ ]" 2
561 1 106 LEU H 1 106 LEU HB3 . . 2.680 2.612 2.612 2.612 . 0 0 "[ ]" 2
562 1 106 LEU H 1 107 LYS H . . 3.020 2.553 2.553 2.553 . 0 0 "[ ]" 2
563 1 106 LEU H 1 108 LYS H . . 5.910 4.374 4.374 4.374 . 0 0 "[ ]" 2
564 1 106 LEU H 1 110 LEU MD2 . . 8.080 5.440 5.440 5.440 . 0 0 "[ ]" 2
565 1 106 LEU HA 1 110 LEU H . . 4.280 4.209 4.209 4.209 . 0 0 "[ ]" 2
566 1 106 LEU HB2 1 107 LYS H . . 5.260 3.828 3.828 3.828 . 0 0 "[ ]" 2
567 1 106 LEU HB3 1 107 LYS H . . 2.800 2.756 2.756 2.756 . 0 0 "[ ]" 2
568 1 106 LEU HG 1 107 LYS H . . 4.720 4.332 4.332 4.332 . 0 0 "[ ]" 2
569 1 106 LEU MD1 1 107 LYS H . . 5.830 4.782 4.782 4.782 . 0 0 "[ ]" 2
570 1 106 LEU MD2 1 107 LYS H . . 6.470 4.539 4.539 4.539 . 0 0 "[ ]" 2
571 1 107 LYS H 1 108 LYS H . . 3.290 2.895 2.895 2.895 . 0 0 "[ ]" 2
572 1 107 LYS H 1 110 LEU MD2 . . 8.340 4.660 4.660 4.660 . 0 0 "[ ]" 2
573 1 107 LYS HA 1 110 LEU H . . 5.180 3.367 3.367 3.367 . 0 0 "[ ]" 2
574 1 107 LYS HA 1 111 GLU H . . 5.470 4.318 4.318 4.318 . 0 0 "[ ]" 2
575 1 107 LYS QB 1 108 LYS H . . 4.550 2.438 2.438 2.438 . 0 0 "[ ]" 2
576 1 107 LYS HG2 1 111 GLU H . . 6.500 4.346 4.346 4.346 . 0 0 "[ ]" 2
577 1 107 LYS HG3 1 111 GLU H . . 6.500 5.973 5.973 5.973 . 0 0 "[ ]" 2
578 1 107 LYS QG 1 108 LYS H . . 6.180 3.974 3.974 3.974 . 0 0 "[ ]" 2
579 1 107 LYS QG 1 111 GLU H . . 5.680 4.247 4.247 4.247 . 0 0 "[ ]" 2
580 1 108 LYS H 1 108 LYS HG3 . . 3.330 3.050 3.050 3.050 . 0 0 "[ ]" 2
581 1 108 LYS H 1 109 ALA H . . 2.940 2.652 2.652 2.652 . 0 0 "[ ]" 2
582 1 108 LYS HA 1 111 GLU H . . 3.870 3.239 3.239 3.239 . 0 0 "[ ]" 2
583 1 108 LYS QB 1 109 ALA H . . 4.370 3.627 3.627 3.627 . 0 0 "[ ]" 2
584 1 109 ALA H 1 109 ALA HA . . 3.000 2.809 2.809 2.809 . 0 0 "[ ]" 2
585 1 109 ALA H 1 110 LEU H . . 3.180 2.633 2.633 2.633 . 0 0 "[ ]" 2
586 1 109 ALA H 1 110 LEU HG . . 6.740 5.863 5.863 5.863 . 0 0 "[ ]" 2
587 1 109 ALA H 1 111 GLU H . . 5.910 4.051 4.051 4.051 . 0 0 "[ ]" 2
588 1 109 ALA HA 1 112 GLU H . . 4.120 3.401 3.401 3.401 . 0 0 "[ ]" 2
589 1 110 LEU H 1 110 LEU HB2 . . 3.050 2.168 2.168 2.168 . 0 0 "[ ]" 2
590 1 110 LEU H 1 110 LEU HB3 . . 3.440 3.459 3.459 3.459 0.019 1 0 "[ ]" 2
591 1 110 LEU H 1 110 LEU HG . . 3.480 3.600 3.600 3.600 0.120 1 0 "[ ]" 2
592 1 110 LEU H 1 110 LEU MD1 . . 5.880 4.092 4.092 4.092 . 0 0 "[ ]" 2
593 1 110 LEU H 1 110 LEU MD2 . . 5.570 2.128 2.128 2.128 . 0 0 "[ ]" 2
594 1 110 LEU H 1 111 GLU H . . 3.180 2.670 2.670 2.670 . 0 0 "[ ]" 2
595 1 110 LEU HA 1 113 ALA H . . 4.080 3.420 3.420 3.420 . 0 0 "[ ]" 2
596 1 110 LEU HB2 1 111 GLU H . . 3.090 2.835 2.835 2.835 . 0 0 "[ ]" 2
597 1 110 LEU HB2 1 115 ALA H . . 6.740 4.926 4.926 4.926 . 0 0 "[ ]" 2
598 1 110 LEU HB3 1 111 GLU H . . 4.080 3.439 3.439 3.439 . 0 0 "[ ]" 2
599 1 110 LEU HB3 1 115 ALA H . . 6.060 3.537 3.537 3.537 . 0 0 "[ ]" 2
600 1 110 LEU HB3 1 117 VAL H . . 6.740 4.798 4.798 4.798 . 0 0 "[ ]" 2
601 1 110 LEU HG 1 111 GLU H . . 6.740 5.067 5.067 5.067 . 0 0 "[ ]" 2
602 1 110 LEU MD1 1 111 GLU H . . 6.600 4.875 4.875 4.875 . 0 0 "[ ]" 2
603 1 110 LEU MD2 1 111 GLU H . . 8.340 4.198 4.198 4.198 . 0 0 "[ ]" 2
604 1 110 LEU MD2 1 118 GLU H . . 8.340 7.030 7.030 7.030 . 0 0 "[ ]" 2
605 1 111 GLU H 1 111 GLU HB2 . . 2.940 2.365 2.365 2.365 . 0 0 "[ ]" 2
606 1 111 GLU H 1 111 GLU HB3 . . 4.120 3.535 3.535 3.535 . 0 0 "[ ]" 2
607 1 111 GLU H 1 111 GLU HG2 . . 4.200 3.355 3.355 3.355 . 0 0 "[ ]" 2
608 1 111 GLU H 1 111 GLU HG3 . . 3.360 2.335 2.335 2.335 . 0 0 "[ ]" 2
609 1 111 GLU H 1 112 GLU H . . 3.130 2.712 2.712 2.712 . 0 0 "[ ]" 2
610 1 111 GLU H 1 113 ALA H . . 5.300 4.053 4.053 4.053 . 0 0 "[ ]" 2
611 1 111 GLU H 1 115 ALA MB . . 8.340 4.766 4.766 4.766 . 0 0 "[ ]" 2
612 1 111 GLU HA 1 113 ALA H . . 4.570 4.058 4.058 4.058 . 0 0 "[ ]" 2
613 1 111 GLU HA 1 114 GLY H . . 3.910 2.963 2.963 2.963 . 0 0 "[ ]" 2
614 1 111 GLU HA 1 115 ALA H . . 3.220 2.688 2.688 2.688 . 0 0 "[ ]" 2
615 1 111 GLU HB2 1 112 GLU H . . 3.510 2.669 2.669 2.669 . 0 0 "[ ]" 2
616 1 111 GLU HB3 1 112 GLU H . . 5.390 3.581 3.581 3.581 . 0 0 "[ ]" 2
617 1 111 GLU HG2 1 115 ALA H . . 6.740 4.417 4.417 4.417 . 0 0 "[ ]" 2
618 1 111 GLU HG3 1 117 VAL H . . 6.740 5.267 5.267 5.267 . 0 0 "[ ]" 2
619 1 112 GLU H 1 112 GLU HB2 . . 2.680 2.319 2.319 2.319 . 0 0 "[ ]" 2
620 1 112 GLU H 1 112 GLU HB3 . . 4.000 3.524 3.524 3.524 . 0 0 "[ ]" 2
621 1 112 GLU H 1 112 GLU HG2 . . 4.450 2.426 2.426 2.426 . 0 0 "[ ]" 2
622 1 112 GLU H 1 112 GLU HG3 . . 4.450 3.431 3.431 3.431 . 0 0 "[ ]" 2
623 1 112 GLU H 1 112 GLU QG . . 4.200 2.379 2.379 2.379 . 0 0 "[ ]" 2
624 1 112 GLU H 1 113 ALA H . . 2.940 2.743 2.743 2.743 . 0 0 "[ ]" 2
625 1 112 GLU H 1 113 ALA MB . . 5.930 4.356 4.356 4.356 . 0 0 "[ ]" 2
626 1 112 GLU H 1 114 GLY H . . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 2
627 1 112 GLU HA 1 114 GLY H . . 5.040 4.319 4.319 4.319 . 0 0 "[ ]" 2
628 1 112 GLU HB2 1 113 ALA H . . 3.720 2.920 2.920 2.920 . 0 0 "[ ]" 2
629 1 112 GLU HB3 1 113 ALA H . . 3.870 3.698 3.698 3.698 . 0 0 "[ ]" 2
630 1 113 ALA H 1 113 ALA HA . . 2.940 2.882 2.882 2.882 . 0 0 "[ ]" 2
631 1 113 ALA H 1 114 GLY H . . 3.020 2.305 2.305 2.305 . 0 0 "[ ]" 2
632 1 113 ALA H 1 115 ALA H . . 4.200 4.224 4.224 4.224 0.024 1 0 "[ ]" 2
633 1 113 ALA H 1 115 ALA MB . . 8.340 4.619 4.619 4.619 . 0 0 "[ ]" 2
634 1 113 ALA MB 1 115 ALA H . . 5.610 3.926 3.926 3.926 . 0 0 "[ ]" 2
635 1 114 GLY H 1 114 GLY HA2 . . 2.870 2.343 2.343 2.343 . 0 0 "[ ]" 2
636 1 114 GLY H 1 115 ALA H . . 2.910 2.404 2.404 2.404 . 0 0 "[ ]" 2
637 1 114 GLY H 1 115 ALA MB . . 8.340 3.778 3.778 3.778 . 0 0 "[ ]" 2
638 1 115 ALA H 1 116 GLU H . . 5.870 4.459 4.459 4.459 . 0 0 "[ ]" 2
639 1 115 ALA H 1 117 VAL QG . . 8.360 4.227 4.227 4.227 . 0 0 "[ ]" 2
640 1 115 ALA HA 1 116 GLU H . . 2.570 2.438 2.438 2.438 . 0 0 "[ ]" 2
641 1 115 ALA MB 1 116 GLU H . . 4.290 2.531 2.531 2.531 . 0 0 "[ ]" 2
642 1 115 ALA MB 1 117 VAL H . . 8.340 4.869 4.869 4.869 . 0 0 "[ ]" 2
643 1 116 GLU H 1 116 GLU HB2 . . 3.180 2.655 2.655 2.655 . 0 0 "[ ]" 2
644 1 116 GLU H 1 116 GLU HB3 . . 3.330 2.592 2.592 2.592 . 0 0 "[ ]" 2
645 1 116 GLU H 1 117 VAL H . . 4.410 4.437 4.437 4.437 0.027 1 0 "[ ]" 2
646 1 116 GLU HA 1 117 VAL H . . 2.570 2.205 2.205 2.205 . 0 0 "[ ]" 2
647 1 116 GLU HG2 1 117 VAL H . . 5.080 4.614 4.614 4.614 . 0 0 "[ ]" 2
648 1 116 GLU HG3 1 117 VAL H . . 5.080 3.006 3.006 3.006 . 0 0 "[ ]" 2
649 1 116 GLU QG 1 117 VAL H . . 4.920 2.970 2.970 2.970 . 0 0 "[ ]" 2
650 1 117 VAL H 1 117 VAL HB . . 2.980 2.563 2.563 2.563 . 0 0 "[ ]" 2
651 1 117 VAL H 1 118 GLU H . . 5.870 4.512 4.512 4.512 . 0 0 "[ ]" 2
652 1 117 VAL HA 1 118 GLU H . . 2.570 2.461 2.461 2.461 . 0 0 "[ ]" 2
653 1 117 VAL QG 1 118 GLU H . . 6.050 1.917 1.917 1.917 . 0 0 "[ ]" 2
654 1 118 GLU H 1 118 GLU HB2 . . 3.560 3.345 3.345 3.345 . 0 0 "[ ]" 2
655 1 118 GLU H 1 118 GLU HB3 . . 3.290 2.629 2.629 2.629 . 0 0 "[ ]" 2
656 1 118 GLU H 1 119 VAL H . . 5.780 4.307 4.307 4.307 . 0 0 "[ ]" 2
657 1 118 GLU HA 1 119 VAL H . . 2.570 2.228 2.228 2.228 . 0 0 "[ ]" 2
658 1 118 GLU HB2 1 119 VAL H . . 4.110 4.155 4.155 4.155 0.045 1 0 "[ ]" 2
659 1 118 GLU HG2 1 119 VAL H . . 6.410 3.367 3.367 3.367 . 0 0 "[ ]" 2
660 1 118 GLU HG3 1 119 VAL H . . 6.410 2.714 2.714 2.714 . 0 0 "[ ]" 2
661 1 118 GLU QG 1 119 VAL H . . 6.000 2.607 2.607 2.607 . 0 0 "[ ]" 2
662 1 119 VAL H 1 119 VAL HB . . 2.850 2.557 2.557 2.557 . 0 0 "[ ]" 2
663 1 119 VAL HA 1 120 LYS H . . 2.640 2.185 2.185 2.185 . 0 0 "[ ]" 2
664 1 119 VAL HB 1 120 LYS H . . 4.280 4.326 4.326 4.326 0.046 1 0 "[ ]" 2
665 1 119 VAL QG 1 120 LYS H . . 7.470 2.857 2.857 2.857 . 0 0 "[ ]" 2
666 1 120 LYS H 1 120 LYS HB2 . . 4.040 3.925 3.925 3.925 . 0 0 "[ ]" 2
667 1 120 LYS H 1 120 LYS HB3 . . 4.040 3.264 3.264 3.264 . 0 0 "[ ]" 2
668 1 120 LYS H 1 120 LYS QB . . 3.840 3.112 3.112 3.112 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 0.952
_Distance_constraint_stats_list.Viol_max 0.114
_Distance_constraint_stats_list.Viol_rms 0.0275
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0634
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 0.133 0.081 1 0 "[ ]"
1 4 LYS 0.114 0.114 1 0 "[ ]"
1 5 ASP 0.000 0.000 . 0 "[ ]"
1 6 GLN 0.133 0.081 1 0 "[ ]"
1 7 ILE 0.168 0.094 1 0 "[ ]"
1 8 ILE 0.203 0.114 1 0 "[ ]"
1 9 GLU 0.000 0.000 . 0 "[ ]"
1 10 ALA 0.094 0.094 1 0 "[ ]"
1 11 VAL 0.074 0.074 1 0 "[ ]"
1 12 ALA 0.089 0.089 1 0 "[ ]"
1 15 SER 0.073 0.073 1 0 "[ ]"
1 16 VAL 0.000 0.000 . 0 "[ ]"
1 17 MET 0.000 0.000 . 0 "[ ]"
1 18 ASP 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.073 0.073 1 0 "[ ]"
1 20 VAL 0.000 0.000 . 0 "[ ]"
1 21 GLU 0.000 0.000 . 0 "[ ]"
1 22 LEU 0.000 0.000 . 0 "[ ]"
1 23 ILE 0.000 0.000 . 0 "[ ]"
1 25 ALA 0.000 0.000 . 0 "[ ]"
1 26 MET 0.000 0.000 . 0 "[ ]"
1 27 GLU 0.000 0.000 . 0 "[ ]"
2 3 THR 0.000 0.000 . 0 "[ ]"
2 4 LYS 0.055 0.055 1 0 "[ ]"
2 5 ASP 0.000 0.000 . 0 "[ ]"
2 6 GLN 0.000 0.000 . 0 "[ ]"
2 7 ILE 0.000 0.000 . 0 "[ ]"
2 8 ILE 0.132 0.072 1 0 "[ ]"
2 9 GLU 0.000 0.000 . 0 "[ ]"
2 10 ALA 0.000 0.000 . 0 "[ ]"
2 11 VAL 0.000 0.000 . 0 "[ ]"
2 12 ALA 0.077 0.072 1 0 "[ ]"
2 15 SER 0.000 0.000 . 0 "[ ]"
2 16 VAL 0.000 0.000 . 0 "[ ]"
2 17 MET 0.000 0.000 . 0 "[ ]"
2 18 ASP 0.096 0.089 1 0 "[ ]"
2 19 VAL 0.000 0.000 . 0 "[ ]"
2 20 VAL 0.000 0.000 . 0 "[ ]"
2 21 GLU 0.000 0.000 . 0 "[ ]"
2 22 LEU 0.243 0.089 1 0 "[ ]"
2 23 ILE 0.000 0.000 . 0 "[ ]"
2 25 ALA 0.000 0.000 . 0 "[ ]"
2 26 MET 0.147 0.075 1 0 "[ ]"
2 27 GLU 0.000 0.000 . 0 "[ ]"
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 3 THR OG1 1 6 GLN N . 2.600 3.400 3.481 3.481 3.481 0.081 1 0 "[ ]" 3
2 1 3 THR OG1 1 6 GLN H . . 2.500 2.552 2.552 2.552 0.052 1 0 "[ ]" 3
3 1 4 LYS O 1 7 ILE N . 2.700 3.400 2.852 2.852 2.852 . 0 0 "[ ]" 3
4 1 4 LYS C 1 7 ILE H . 2.300 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 3
5 1 4 LYS O 1 7 ILE H . . 2.400 2.106 2.106 2.106 . 0 0 "[ ]" 3
6 1 4 LYS O 1 8 ILE N . 2.600 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 3
7 1 4 LYS C 1 8 ILE H . 2.600 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 3
8 1 4 LYS O 1 8 ILE H . . 2.300 2.414 2.414 2.414 0.114 1 0 "[ ]" 3
9 1 5 ASP O 1 9 GLU N . 2.600 3.300 3.220 3.220 3.220 . 0 0 "[ ]" 3
10 1 5 ASP C 1 9 GLU H . 2.600 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 3
11 1 5 ASP O 1 9 GLU H . . 2.300 2.298 2.298 2.298 . 0 0 "[ ]" 3
12 1 7 ILE O 1 10 ALA N . 2.700 3.400 3.249 3.249 3.249 . 0 0 "[ ]" 3
13 1 7 ILE C 1 10 ALA H . 2.300 3.500 2.611 2.611 2.611 . 0 0 "[ ]" 3
14 1 7 ILE O 1 10 ALA H . . 2.400 2.494 2.494 2.494 0.094 1 0 "[ ]" 3
15 1 7 ILE O 1 11 VAL N . 2.600 3.300 3.231 3.231 3.231 . 0 0 "[ ]" 3
16 1 7 ILE C 1 11 VAL H . 2.600 3.500 3.392 3.392 3.392 . 0 0 "[ ]" 3
17 1 7 ILE O 1 11 VAL H . . 2.300 2.374 2.374 2.374 0.074 1 0 "[ ]" 3
18 1 8 ILE O 1 12 ALA N . 2.700 3.300 3.239 3.239 3.239 . 0 0 "[ ]" 3
19 1 8 ILE C 1 12 ALA H . 2.300 3.500 3.407 3.407 3.407 . 0 0 "[ ]" 3
20 1 8 ILE O 1 12 ALA H . . 2.300 2.389 2.389 2.389 0.089 1 0 "[ ]" 3
21 1 15 SER O 1 19 VAL N . 2.600 3.300 3.177 3.177 3.177 . 0 0 "[ ]" 3
22 1 15 SER C 1 19 VAL H . 2.600 3.500 3.420 3.420 3.420 . 0 0 "[ ]" 3
23 1 15 SER O 1 19 VAL H . . 2.300 2.373 2.373 2.373 0.073 1 0 "[ ]" 3
24 1 16 VAL O 1 20 VAL N . 2.600 3.300 2.801 2.801 2.801 . 0 0 "[ ]" 3
25 1 16 VAL C 1 20 VAL H . 2.600 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 3
26 1 16 VAL O 1 20 VAL H . . 2.300 1.916 1.916 1.916 . 0 0 "[ ]" 3
27 1 17 MET O 1 21 GLU N . 2.600 3.300 2.888 2.888 2.888 . 0 0 "[ ]" 3
28 1 17 MET C 1 21 GLU H . 2.600 3.500 3.094 3.094 3.094 . 0 0 "[ ]" 3
29 1 17 MET O 1 21 GLU H . . 2.300 1.903 1.903 1.903 . 0 0 "[ ]" 3
30 1 18 ASP O 1 22 LEU N . 2.600 3.300 3.062 3.062 3.062 . 0 0 "[ ]" 3
31 1 18 ASP C 1 22 LEU H . 2.600 3.500 3.067 3.067 3.067 . 0 0 "[ ]" 3
32 1 18 ASP O 1 22 LEU H . . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 3
33 1 19 VAL O 1 23 ILE N . 2.600 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 3
34 1 19 VAL C 1 23 ILE H . 2.600 3.500 3.123 3.123 3.123 . 0 0 "[ ]" 3
35 1 19 VAL O 1 23 ILE H . . 2.300 1.969 1.969 1.969 . 0 0 "[ ]" 3
36 1 21 GLU O 1 25 ALA N . 2.600 3.300 2.696 2.696 2.696 . 0 0 "[ ]" 3
37 1 21 GLU C 1 25 ALA H . 2.600 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 3
38 1 21 GLU O 1 25 ALA H . . 2.300 1.844 1.844 1.844 . 0 0 "[ ]" 3
39 1 22 LEU O 1 26 MET N . 2.600 3.300 2.972 2.972 2.972 . 0 0 "[ ]" 3
40 1 22 LEU C 1 26 MET H . 2.600 3.500 3.259 3.259 3.259 . 0 0 "[ ]" 3
41 1 22 LEU O 1 26 MET H . . 2.300 2.076 2.076 2.076 . 0 0 "[ ]" 3
42 1 23 ILE O 1 27 GLU N . 2.600 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 3
43 1 23 ILE C 1 27 GLU H . 2.600 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 3
44 1 23 ILE O 1 27 GLU H . . 2.300 1.898 1.898 1.898 . 0 0 "[ ]" 3
45 2 3 THR OG1 2 6 GLN N . 2.600 3.400 3.352 3.352 3.352 . 0 0 "[ ]" 3
46 2 3 THR OG1 2 6 GLN H . . 2.500 2.424 2.424 2.424 . 0 0 "[ ]" 3
47 2 4 LYS O 2 7 ILE N . 2.700 3.400 3.017 3.017 3.017 . 0 0 "[ ]" 3
48 2 4 LYS C 2 7 ILE H . 2.300 3.500 2.714 2.714 2.714 . 0 0 "[ ]" 3
49 2 4 LYS O 2 7 ILE H . . 2.400 2.227 2.227 2.227 . 0 0 "[ ]" 3
50 2 4 LYS O 2 8 ILE N . 2.600 3.300 3.193 3.193 3.193 . 0 0 "[ ]" 3
51 2 4 LYS C 2 8 ILE H . 2.600 3.500 3.386 3.386 3.386 . 0 0 "[ ]" 3
52 2 4 LYS O 2 8 ILE H . . 2.300 2.355 2.355 2.355 0.055 1 0 "[ ]" 3
53 2 5 ASP O 2 9 GLU N . 2.600 3.300 3.136 3.136 3.136 . 0 0 "[ ]" 3
54 2 5 ASP C 2 9 GLU H . 2.600 3.500 3.393 3.393 3.393 . 0 0 "[ ]" 3
55 2 5 ASP O 2 9 GLU H . . 2.300 2.208 2.208 2.208 . 0 0 "[ ]" 3
56 2 7 ILE O 2 10 ALA N . 2.700 3.400 2.931 2.931 2.931 . 0 0 "[ ]" 3
57 2 7 ILE C 2 10 ALA H . 2.300 3.500 2.470 2.470 2.470 . 0 0 "[ ]" 3
58 2 7 ILE O 2 10 ALA H . . 2.400 2.150 2.150 2.150 . 0 0 "[ ]" 3
59 2 7 ILE O 2 11 VAL N . 2.600 3.300 3.074 3.074 3.074 . 0 0 "[ ]" 3
60 2 7 ILE C 2 11 VAL H . 2.600 3.500 3.346 3.346 3.346 . 0 0 "[ ]" 3
61 2 7 ILE O 2 11 VAL H . . 2.300 2.247 2.247 2.247 . 0 0 "[ ]" 3
62 2 8 ILE O 2 12 ALA N . 2.700 3.400 3.329 3.329 3.329 . 0 0 "[ ]" 3
63 2 8 ILE C 2 12 ALA H . 2.300 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 3
64 2 8 ILE O 2 12 ALA H . . 2.400 2.472 2.472 2.472 0.072 1 0 "[ ]" 3
65 2 15 SER O 2 19 VAL N . 2.600 3.300 2.918 2.918 2.918 . 0 0 "[ ]" 3
66 2 15 SER C 2 19 VAL H . 2.600 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 3
67 2 15 SER O 2 19 VAL H . . 2.300 2.135 2.135 2.135 . 0 0 "[ ]" 3
68 2 16 VAL O 2 20 VAL N . 2.600 3.300 2.766 2.766 2.766 . 0 0 "[ ]" 3
69 2 16 VAL C 2 20 VAL H . 2.600 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 3
70 2 16 VAL O 2 20 VAL H . . 2.300 1.851 1.851 1.851 . 0 0 "[ ]" 3
71 2 17 MET O 2 21 GLU N . 2.600 3.300 3.174 3.174 3.174 . 0 0 "[ ]" 3
72 2 17 MET C 2 21 GLU H . 2.600 3.500 3.359 3.359 3.359 . 0 0 "[ ]" 3
73 2 17 MET O 2 21 GLU H . . 2.300 2.256 2.256 2.256 . 0 0 "[ ]" 3
74 2 18 ASP O 2 22 LEU N . 2.600 3.300 3.307 3.307 3.307 0.007 1 0 "[ ]" 3
75 2 18 ASP C 2 22 LEU H . 2.600 3.500 3.313 3.313 3.313 . 0 0 "[ ]" 3
76 2 18 ASP O 2 22 LEU H . . 2.300 2.389 2.389 2.389 0.089 1 0 "[ ]" 3
77 2 19 VAL O 2 23 ILE N . 2.600 3.300 2.922 2.922 2.922 . 0 0 "[ ]" 3
78 2 19 VAL C 2 23 ILE H . 2.600 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 3
79 2 19 VAL O 2 23 ILE H . . 2.300 1.984 1.984 1.984 . 0 0 "[ ]" 3
80 2 21 GLU O 2 25 ALA N . 2.600 3.300 2.714 2.714 2.714 . 0 0 "[ ]" 3
81 2 21 GLU C 2 25 ALA H . 2.600 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 3
82 2 21 GLU O 2 25 ALA H . . 2.300 1.835 1.835 1.835 . 0 0 "[ ]" 3
83 2 22 LEU O 2 26 MET N . 2.600 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 3
84 2 22 LEU C 2 26 MET H . 2.600 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 3
85 2 22 LEU O 2 26 MET H . . 2.300 2.375 2.375 2.375 0.075 1 0 "[ ]" 3
86 2 23 ILE O 2 27 GLU N . 2.600 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 3
87 2 23 ILE C 2 27 GLU H . 2.600 3.500 3.192 3.192 3.192 . 0 0 "[ ]" 3
88 2 23 ILE O 2 27 GLU H . . 2.300 2.052 2.052 2.052 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 133
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 0.438
_Distance_constraint_stats_list.Viol_max 0.093
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0486
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 54 PHE 0.000 0.000 . 0 "[ ]"
1 55 ASP 0.000 0.000 . 0 "[ ]"
1 56 VAL 0.000 0.000 . 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 58 LEU 0.000 0.000 . 0 "[ ]"
1 59 LYS 0.088 0.088 1 0 "[ ]"
1 60 ALA 0.088 0.088 1 0 "[ ]"
1 64 ASN 0.000 0.000 . 0 "[ ]"
1 65 LYS 0.000 0.000 . 0 "[ ]"
1 66 VAL 0.000 0.000 . 0 "[ ]"
1 67 ALA 0.000 0.000 . 0 "[ ]"
1 68 VAL 0.016 0.016 1 0 "[ ]"
1 69 ILE 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 ALA 0.000 0.000 . 0 "[ ]"
1 72 VAL 0.016 0.016 1 0 "[ ]"
1 73 ARG 0.000 0.000 . 0 "[ ]"
1 76 THR 0.069 0.069 1 0 "[ ]"
1 78 LEU 0.069 0.069 1 0 "[ ]"
1 79 GLY 0.000 0.000 . 0 "[ ]"
1 80 LEU 0.000 0.000 . 0 "[ ]"
1 81 LYS 0.000 0.000 . 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 84 LYS 0.000 0.000 . 0 "[ ]"
1 85 ASP 0.000 0.000 . 0 "[ ]"
1 86 LEU 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 88 GLU 0.000 0.000 . 0 "[ ]"
1 89 SER 0.000 0.000 . 0 "[ ]"
1 90 ALA 0.000 0.000 . 0 "[ ]"
1 92 ALA 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 LYS 0.000 0.000 . 0 "[ ]"
1 97 GLY 0.000 0.000 . 0 "[ ]"
1 98 VAL 0.000 0.000 . 0 "[ ]"
1 99 SER 0.015 0.010 1 0 "[ ]"
1 100 LYS 0.000 0.000 . 0 "[ ]"
1 101 ASP 0.000 0.000 . 0 "[ ]"
1 102 ASP 0.015 0.010 1 0 "[ ]"
1 103 ALA 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 ALA 0.093 0.093 1 0 "[ ]"
1 106 LEU 0.000 0.000 . 0 "[ ]"
1 107 LYS 0.000 0.000 . 0 "[ ]"
1 108 LYS 0.000 0.000 . 0 "[ ]"
1 109 ALA 0.115 0.093 1 0 "[ ]"
1 110 LEU 0.047 0.047 1 0 "[ ]"
1 111 GLU 0.000 0.000 . 0 "[ ]"
1 112 GLU 0.000 0.000 . 0 "[ ]"
1 113 ALA 0.022 0.022 1 0 "[ ]"
1 114 GLY 0.047 0.047 1 0 "[ ]"
1 115 ALA 0.000 0.000 . 0 "[ ]"
1 116 GLU 0.177 0.088 1 0 "[ ]"
1 118 GLU 0.000 0.000 . 0 "[ ]"
1 120 LYS 0.000 0.000 . 0 "[ ]"
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 54 PHE N 1 98 VAL O . 2.600 3.300 2.850 2.850 2.850 . 0 0 "[ ]" 4
2 1 54 PHE H 1 98 VAL C . 2.600 3.500 2.973 2.973 2.973 . 0 0 "[ ]" 4
3 1 54 PHE H 1 98 VAL O . . 2.200 1.855 1.855 1.855 . 0 0 "[ ]" 4
4 1 55 ASP H 1 120 LYS C . 2.600 3.500 3.066 3.066 3.066 . 0 0 "[ ]" 4
5 1 56 VAL N 1 95 LYS O . 2.600 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 4
6 1 56 VAL H 1 95 LYS C . 2.600 3.500 2.994 2.994 2.994 . 0 0 "[ ]" 4
7 1 56 VAL H 1 95 LYS O . . 2.200 2.112 2.112 2.112 . 0 0 "[ ]" 4
8 1 57 ILE N 1 118 GLU O . 2.600 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 4
9 1 57 ILE H 1 118 GLU C . 2.600 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 4
10 1 57 ILE H 1 118 GLU O . . 2.200 1.854 1.854 1.854 . 0 0 "[ ]" 4
11 1 58 LEU N 1 92 ALA O . 2.600 3.300 2.792 2.792 2.792 . 0 0 "[ ]" 4
12 1 58 LEU H 1 92 ALA C . 2.600 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 4
13 1 58 LEU H 1 92 ALA O . . 2.200 1.810 1.810 1.810 . 0 0 "[ ]" 4
14 1 59 LYS N 1 116 GLU O . 2.600 3.300 3.215 3.215 3.215 . 0 0 "[ ]" 4
15 1 59 LYS H 1 116 GLU C . 2.600 3.500 3.360 3.360 3.360 . 0 0 "[ ]" 4
16 1 59 LYS H 1 116 GLU O . . 2.200 2.288 2.288 2.288 0.088 1 0 "[ ]" 4
17 1 60 ALA N 1 116 GLU O . 2.600 3.300 3.259 3.259 3.259 . 0 0 "[ ]" 4
18 1 60 ALA H 1 116 GLU C . 2.600 3.500 3.207 3.207 3.207 . 0 0 "[ ]" 4
19 1 60 ALA H 1 116 GLU O . . 2.200 2.288 2.288 2.288 0.088 1 0 "[ ]" 4
20 1 64 ASN O 1 68 VAL N . 2.600 3.300 3.047 3.047 3.047 . 0 0 "[ ]" 4
21 1 64 ASN C 1 68 VAL H . 2.600 3.500 3.205 3.205 3.205 . 0 0 "[ ]" 4
22 1 64 ASN O 1 68 VAL H . . 2.300 2.071 2.071 2.071 . 0 0 "[ ]" 4
23 1 65 LYS O 1 69 ILE N . 2.600 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 4
24 1 65 LYS C 1 69 ILE H . 2.600 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 4
25 1 65 LYS O 1 69 ILE H . . 2.300 1.853 1.853 1.853 . 0 0 "[ ]" 4
26 1 66 VAL O 1 70 LYS N . 2.600 3.300 3.124 3.124 3.124 . 0 0 "[ ]" 4
27 1 66 VAL C 1 70 LYS H . 2.600 3.500 3.314 3.314 3.314 . 0 0 "[ ]" 4
28 1 66 VAL O 1 70 LYS H . . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 4
29 1 67 ALA O 1 71 ALA N . 2.600 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 4
30 1 67 ALA C 1 71 ALA H . 2.600 3.500 3.064 3.064 3.064 . 0 0 "[ ]" 4
31 1 67 ALA O 1 71 ALA H . . 2.300 1.919 1.919 1.919 . 0 0 "[ ]" 4
32 1 68 VAL O 1 72 VAL N . 2.600 3.300 2.738 2.738 2.738 . 0 0 "[ ]" 4
33 1 68 VAL C 1 72 VAL H . 2.600 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 4
34 1 68 VAL O 1 72 VAL H . . 2.300 1.784 1.784 1.784 0.016 1 0 "[ ]" 4
35 1 69 ILE O 1 73 ARG N . 2.600 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 4
36 1 69 ILE C 1 73 ARG H . 2.600 3.500 3.302 3.302 3.302 . 0 0 "[ ]" 4
37 1 69 ILE O 1 73 ARG H . . 2.300 2.120 2.120 2.120 . 0 0 "[ ]" 4
38 1 72 VAL O 1 76 THR N . 2.600 3.300 2.854 2.854 2.854 . 0 0 "[ ]" 4
39 1 72 VAL C 1 76 THR H . 2.600 3.500 3.154 3.154 3.154 . 0 0 "[ ]" 4
40 1 72 VAL O 1 76 THR H . . 2.300 2.022 2.022 2.022 . 0 0 "[ ]" 4
41 1 79 GLY O 1 83 ALA N . 2.600 3.300 2.808 2.808 2.808 . 0 0 "[ ]" 4
42 1 79 GLY C 1 83 ALA H . 2.600 3.500 3.043 3.043 3.043 . 0 0 "[ ]" 4
43 1 79 GLY O 1 83 ALA H . . 2.300 1.826 1.826 1.826 . 0 0 "[ ]" 4
44 1 80 LEU O 1 84 LYS N . 2.600 3.300 2.849 2.849 2.849 . 0 0 "[ ]" 4
45 1 80 LEU C 1 84 LYS H . 2.600 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 4
46 1 80 LEU O 1 84 LYS H . . 2.300 1.909 1.909 1.909 . 0 0 "[ ]" 4
47 1 81 LYS O 1 85 ASP N . 2.600 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 4
48 1 81 LYS C 1 85 ASP H . 2.600 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 4
49 1 81 LYS O 1 85 ASP H . . 2.300 1.852 1.852 1.852 . 0 0 "[ ]" 4
50 1 82 GLU O 1 86 LEU N . 2.600 3.300 2.812 2.812 2.812 . 0 0 "[ ]" 4
51 1 82 GLU C 1 86 LEU H . 2.600 3.500 2.972 2.972 2.972 . 0 0 "[ ]" 4
52 1 82 GLU O 1 86 LEU H . . 2.300 1.836 1.836 1.836 . 0 0 "[ ]" 4
53 1 83 ALA O 1 87 VAL N . 2.600 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 4
54 1 83 ALA C 1 87 VAL H . 2.600 3.500 3.187 3.187 3.187 . 0 0 "[ ]" 4
55 1 83 ALA O 1 87 VAL H . . 2.300 1.999 1.999 1.999 . 0 0 "[ ]" 4
56 1 84 LYS O 1 88 GLU N . 2.600 3.300 2.814 2.814 2.814 . 0 0 "[ ]" 4
57 1 84 LYS C 1 88 GLU H . 2.600 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 4
58 1 84 LYS O 1 88 GLU H . . 2.300 1.878 1.878 1.878 . 0 0 "[ ]" 4
59 1 86 LEU O 1 89 SER N . 2.700 3.400 2.821 2.821 2.821 . 0 0 "[ ]" 4
60 1 86 LEU C 1 89 SER H . 2.300 3.500 2.514 2.514 2.514 . 0 0 "[ ]" 4
61 1 86 LEU O 1 89 SER H . . 2.400 1.937 1.937 1.937 . 0 0 "[ ]" 4
62 1 87 VAL O 1 90 ALA N . 2.700 3.400 3.057 3.057 3.057 . 0 0 "[ ]" 4
63 1 87 VAL C 1 90 ALA H . 2.300 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 4
64 1 87 VAL O 1 90 ALA H . . 2.400 2.186 2.186 2.186 . 0 0 "[ ]" 4
65 1 58 LEU O 1 92 ALA N . 2.600 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 4
66 1 58 LEU C 1 92 ALA H . 2.600 3.500 3.168 3.168 3.168 . 0 0 "[ ]" 4
67 1 58 LEU O 1 92 ALA H . . 2.200 2.067 2.067 2.067 . 0 0 "[ ]" 4
68 1 56 VAL O 1 94 LEU N . 2.600 3.300 2.741 2.741 2.741 . 0 0 "[ ]" 4
69 1 56 VAL C 1 94 LEU H . 2.600 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 4
70 1 56 VAL O 1 94 LEU H . . 2.200 1.853 1.853 1.853 . 0 0 "[ ]" 4
71 1 56 VAL O 1 95 LYS N . 2.600 3.300 3.056 3.056 3.056 . 0 0 "[ ]" 4
72 1 56 VAL C 1 95 LYS H . 2.600 3.500 3.143 3.143 3.143 . 0 0 "[ ]" 4
73 1 56 VAL O 1 95 LYS H . . 2.200 2.105 2.105 2.105 . 0 0 "[ ]" 4
74 1 54 PHE O 1 98 VAL N . 2.600 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 4
75 1 54 PHE C 1 98 VAL H . 2.600 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 4
76 1 54 PHE O 1 98 VAL H . . 2.200 1.878 1.878 1.878 . 0 0 "[ ]" 4
77 1 99 SER O 1 103 ALA N . 2.600 3.300 2.874 2.874 2.874 . 0 0 "[ ]" 4
78 1 99 SER C 1 103 ALA H . 2.600 3.500 3.063 3.063 3.063 . 0 0 "[ ]" 4
79 1 99 SER O 1 103 ALA H . . 2.300 1.921 1.921 1.921 . 0 0 "[ ]" 4
80 1 100 LYS O 1 104 GLU N . 2.600 3.300 2.776 2.776 2.776 . 0 0 "[ ]" 4
81 1 100 LYS C 1 104 GLU H . 2.600 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 4
82 1 100 LYS O 1 104 GLU H . . 2.300 1.800 1.800 1.800 . 0 0 "[ ]" 4
83 1 101 ASP O 1 105 ALA N . 2.600 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 4
84 1 101 ASP C 1 105 ALA H . 2.600 3.500 3.094 3.094 3.094 . 0 0 "[ ]" 4
85 1 101 ASP O 1 105 ALA H . . 2.300 2.125 2.125 2.125 . 0 0 "[ ]" 4
86 1 102 ASP O 1 106 LEU N . 2.600 3.300 3.054 3.054 3.054 . 0 0 "[ ]" 4
87 1 102 ASP C 1 106 LEU H . 2.600 3.500 3.272 3.272 3.272 . 0 0 "[ ]" 4
88 1 102 ASP O 1 106 LEU H . . 2.300 2.088 2.088 2.088 . 0 0 "[ ]" 4
89 1 103 ALA O 1 107 LYS N . 2.600 3.300 2.927 2.927 2.927 . 0 0 "[ ]" 4
90 1 103 ALA C 1 107 LYS H . 2.600 3.500 3.053 3.053 3.053 . 0 0 "[ ]" 4
91 1 103 ALA O 1 107 LYS H . . 2.300 1.973 1.973 1.973 . 0 0 "[ ]" 4
92 1 104 GLU O 1 108 LYS N . 2.600 3.300 2.883 2.883 2.883 . 0 0 "[ ]" 4
93 1 104 GLU C 1 108 LYS H . 2.600 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 4
94 1 104 GLU O 1 108 LYS H . . 2.300 1.898 1.898 1.898 . 0 0 "[ ]" 4
95 1 105 ALA O 1 109 ALA N . 2.600 3.300 3.234 3.234 3.234 . 0 0 "[ ]" 4
96 1 105 ALA C 1 109 ALA H . 2.600 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 4
97 1 105 ALA O 1 109 ALA H . . 2.300 2.393 2.393 2.393 0.093 1 0 "[ ]" 4
98 1 106 LEU O 1 110 LEU N . 2.600 3.300 2.811 2.811 2.811 . 0 0 "[ ]" 4
99 1 106 LEU C 1 110 LEU H . 2.600 3.500 3.063 3.063 3.063 . 0 0 "[ ]" 4
100 1 106 LEU O 1 110 LEU H . . 2.300 1.906 1.906 1.906 . 0 0 "[ ]" 4
101 1 107 LYS O 1 111 GLU N . 2.600 3.300 2.956 2.956 2.956 . 0 0 "[ ]" 4
102 1 107 LYS C 1 111 GLU H . 2.600 3.500 3.148 3.148 3.148 . 0 0 "[ ]" 4
103 1 107 LYS O 1 111 GLU H . . 2.300 2.010 2.010 2.010 . 0 0 "[ ]" 4
104 1 108 LYS O 1 112 GLU N . 2.600 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 4
105 1 108 LYS C 1 112 GLU H . 2.600 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 4
106 1 108 LYS O 1 112 GLU H . . 2.300 1.890 1.890 1.890 . 0 0 "[ ]" 4
107 1 109 ALA O 1 113 ALA N . 2.600 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 4
108 1 109 ALA C 1 113 ALA H . 2.600 3.500 3.338 3.338 3.338 . 0 0 "[ ]" 4
109 1 109 ALA O 1 113 ALA H . . 2.300 2.322 2.322 2.322 0.022 1 0 "[ ]" 4
110 1 110 LEU O 1 114 GLY N . 2.400 3.500 2.681 2.681 2.681 . 0 0 "[ ]" 4
111 1 110 LEU C 1 114 GLY H . 2.300 3.600 2.907 2.907 2.907 . 0 0 "[ ]" 4
112 1 110 LEU O 1 114 GLY H . . 2.500 1.853 1.853 1.853 0.047 1 0 "[ ]" 4
113 1 111 GLU O 1 114 GLY N . 2.400 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 4
114 1 111 GLU C 1 114 GLY H . 2.300 3.600 2.589 2.589 2.589 . 0 0 "[ ]" 4
115 1 111 GLU O 1 114 GLY H . . 2.500 2.318 2.318 2.318 . 0 0 "[ ]" 4
116 1 110 LEU O 1 115 ALA N . 2.600 3.300 2.948 2.948 2.948 . 0 0 "[ ]" 4
117 1 110 LEU C 1 115 ALA H . 2.600 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 4
118 1 110 LEU O 1 115 ALA H . . 2.200 2.184 2.184 2.184 . 0 0 "[ ]" 4
119 1 60 ALA O 1 116 GLU N . 2.600 3.300 2.781 2.781 2.781 . 0 0 "[ ]" 4
120 1 60 ALA C 1 116 GLU H . 2.600 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 4
121 1 60 ALA O 1 116 GLU H . . 2.200 1.867 1.867 1.867 . 0 0 "[ ]" 4
122 1 57 ILE O 1 118 GLU N . 2.600 3.300 2.770 2.770 2.770 . 0 0 "[ ]" 4
123 1 57 ILE C 1 118 GLU H . 2.600 3.500 3.074 3.074 3.074 . 0 0 "[ ]" 4
124 1 57 ILE O 1 118 GLU H . . 2.200 1.887 1.887 1.887 . 0 0 "[ ]" 4
125 1 55 ASP O 1 120 LYS N . 2.600 3.300 3.109 3.109 3.109 . 0 0 "[ ]" 4
126 1 55 ASP C 1 120 LYS H . 2.600 3.500 3.271 3.271 3.271 . 0 0 "[ ]" 4
127 1 55 ASP O 1 120 LYS H . . 2.200 2.121 2.121 2.121 . 0 0 "[ ]" 4
128 1 76 THR OG1 1 78 LEU N . 2.600 3.400 3.469 3.469 3.469 0.069 1 0 "[ ]" 4
129 1 76 THR OG1 1 78 LEU H . . 2.500 2.497 2.497 2.497 . 0 0 "[ ]" 4
130 1 55 ASP OD1 1 97 GLY N . 2.600 3.400 2.918 2.918 2.918 . 0 0 "[ ]" 4
131 1 55 ASP OD1 1 97 GLY H . . 2.400 2.011 2.011 2.011 . 0 0 "[ ]" 4
132 1 99 SER OG 1 102 ASP N . 2.600 3.400 3.410 3.410 3.410 0.010 1 0 "[ ]" 4
133 1 99 SER OG 1 102 ASP H . . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 4
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 5:09:54 PM GMT (wattos1)