NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612478 |
5uj5   |
30231 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5uj5
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 1077
_Distance_constraint_stats_list.Viol_count 786
_Distance_constraint_stats_list.Viol_total 472.866
_Distance_constraint_stats_list.Viol_max 0.373
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0301
_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 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.292 0.145 15 0 "[ . 1 . 2]"
1 14 ILE 1.072 0.286 19 0 "[ . 1 . 2]"
1 15 PRO 0.061 0.011 3 0 "[ . 1 . 2]"
1 16 GLU 0.489 0.187 8 0 "[ . 1 . 2]"
1 17 GLN 0.602 0.187 8 0 "[ . 1 . 2]"
1 18 ILE 0.149 0.013 15 0 "[ . 1 . 2]"
1 19 ARG 0.053 0.022 11 0 "[ . 1 . 2]"
1 20 ILE 0.185 0.027 10 0 "[ . 1 . 2]"
1 21 PHE 0.118 0.021 12 0 "[ . 1 . 2]"
1 22 PHE 1.772 0.132 11 0 "[ . 1 . 2]"
1 23 LYS 0.389 0.118 11 0 "[ . 1 . 2]"
1 24 THR 0.463 0.205 7 0 "[ . 1 . 2]"
1 25 MET 0.049 0.015 9 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.775 0.220 7 0 "[ . 1 . 2]"
1 28 VAL 0.396 0.118 11 0 "[ . 1 . 2]"
1 29 VAL 2.546 0.220 7 0 "[ . 1 . 2]"
1 30 PRO 0.111 0.058 16 0 "[ . 1 . 2]"
1 31 ALA 0.140 0.029 10 0 "[ . 1 . 2]"
1 32 LYS 0.130 0.044 9 0 "[ . 1 . 2]"
1 33 ALA 0.071 0.025 15 0 "[ . 1 . 2]"
1 34 VAL 0.365 0.260 14 0 "[ . 1 . 2]"
1 35 CYS 0.053 0.022 15 0 "[ . 1 . 2]"
1 36 GLY 0.144 0.031 3 0 "[ . 1 . 2]"
1 37 SER 0.392 0.081 15 0 "[ . 1 . 2]"
1 38 THR 1.636 0.120 10 0 "[ . 1 . 2]"
1 39 VAL 0.446 0.093 9 0 "[ . 1 . 2]"
1 40 LEU 1.887 0.120 10 0 "[ . 1 . 2]"
1 41 ASP 0.166 0.030 18 0 "[ . 1 . 2]"
1 42 VAL 0.245 0.035 15 0 "[ . 1 . 2]"
1 43 ALA 0.382 0.130 13 0 "[ . 1 . 2]"
1 44 HIS 0.342 0.253 18 0 "[ . 1 . 2]"
1 45 LYS 0.830 0.373 18 0 "[ . 1 . 2]"
1 46 ASN 0.170 0.042 10 0 "[ . 1 . 2]"
1 47 GLY 0.009 0.009 4 0 "[ . 1 . 2]"
1 48 VAL 0.245 0.130 13 0 "[ . 1 . 2]"
1 49 ASP 0.008 0.004 13 0 "[ . 1 . 2]"
1 50 LEU 0.127 0.068 13 0 "[ . 1 . 2]"
1 65 VAL 0.081 0.035 7 0 "[ . 1 . 2]"
1 66 ILE 0.495 0.042 15 0 "[ . 1 . 2]"
1 67 LEU 3.054 0.124 15 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.080 0.027 15 0 "[ . 1 . 2]"
1 70 PRO 0.248 0.047 10 0 "[ . 1 . 2]"
1 71 LEU 0.377 0.097 20 0 "[ . 1 . 2]"
1 72 TYR 0.317 0.212 15 0 "[ . 1 . 2]"
1 73 ARG 1.351 0.093 10 0 "[ . 1 . 2]"
1 74 LYS 0.609 0.062 10 0 "[ . 1 . 2]"
1 75 LEU 2.284 0.354 1 0 "[ . 1 . 2]"
1 76 GLY 0.013 0.010 14 0 "[ . 1 . 2]"
1 77 GLU 0.059 0.010 14 0 "[ . 1 . 2]"
1 78 PRO 0.088 0.031 17 0 "[ . 1 . 2]"
1 79 SER 0.026 0.008 3 0 "[ . 1 . 2]"
1 80 ASP 2.678 0.199 10 0 "[ . 1 . 2]"
1 81 LYS 0.313 0.024 6 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 18 0 "[ . 1 . 2]"
1 83 TYR 3.371 0.199 10 0 "[ . 1 . 2]"
1 84 ASP 0.313 0.024 6 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.885 0.102 10 0 "[ . 1 . 2]"
1 87 ASP 0.054 0.036 15 0 "[ . 1 . 2]"
1 88 GLN 0.345 0.216 17 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 0.107 0.011 4 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ALA 0.114 0.011 4 0 "[ . 1 . 2]"
1 93 THR 2.013 0.124 15 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.525 0.212 15 0 "[ . 1 . 2]"
1 96 SER 0.172 0.023 10 0 "[ . 1 . 2]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.081 0.029 6 0 "[ . 1 . 2]"
1 103 ARG 0.071 0.025 15 0 "[ . 1 . 2]"
1 104 VAL 0.292 0.041 14 0 "[ . 1 . 2]"
1 105 ASP 0.354 0.100 13 0 "[ . 1 . 2]"
1 106 LYS 0.112 0.012 15 0 "[ . 1 . 2]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 PHE 0.455 0.100 13 0 "[ . 1 . 2]"
1 109 GLU 0.202 0.022 20 0 "[ . 1 . 2]"
1 110 ASN 0.120 0.022 20 0 "[ . 1 . 2]"
1 111 ALA 0.039 0.020 16 0 "[ . 1 . 2]"
1 112 VAL 0.040 0.013 5 0 "[ . 1 . 2]"
1 113 PHE 0.091 0.021 12 0 "[ . 1 . 2]"
1 114 THR 0.914 0.077 11 0 "[ . 1 . 2]"
1 115 VAL 0.309 0.057 7 0 "[ . 1 . 2]"
1 116 PRO 0.504 0.088 20 0 "[ . 1 . 2]"
1 117 ARG 0.270 0.088 20 0 "[ . 1 . 2]"
1 118 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 PHE 0.001 0.001 4 0 "[ . 1 . 2]"
1 128 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 GLU HA 1 17 GLN HG3 . . 5.070 4.057 3.553 4.992 . 0 0 "[ . 1 . 2]" 1
2 1 16 GLU HA 1 17 GLN HG2 . . 5.070 4.644 4.250 5.257 0.187 8 0 "[ . 1 . 2]" 1
3 1 18 ILE MG 1 109 GLU H . . 4.440 3.589 3.295 4.180 . 0 0 "[ . 1 . 2]" 1
4 1 18 ILE H 1 18 ILE MG . . 4.260 3.054 2.800 3.311 . 0 0 "[ . 1 . 2]" 1
5 1 18 ILE HA 1 18 ILE MG . . 3.550 2.286 2.118 2.407 . 0 0 "[ . 1 . 2]" 1
6 1 18 ILE MG 1 109 GLU HA . . 3.630 2.947 2.652 3.346 . 0 0 "[ . 1 . 2]" 1
7 1 18 ILE MG 1 109 GLU HG3 . . 4.340 2.526 2.104 2.862 . 0 0 "[ . 1 . 2]" 1
8 1 18 ILE HG12 1 18 ILE MG . . 3.480 2.111 1.964 2.200 . 0 0 "[ . 1 . 2]" 1
9 1 18 ILE MD 1 19 ARG H . . 4.160 3.028 2.575 3.623 . 0 0 "[ . 1 . 2]" 1
10 1 18 ILE H 1 18 ILE MD . . 4.490 3.667 3.385 3.953 . 0 0 "[ . 1 . 2]" 1
11 1 18 ILE MD 1 109 GLU H . . 4.050 3.061 2.468 3.680 . 0 0 "[ . 1 . 2]" 1
12 1 18 ILE MD 1 109 GLU HA . . 3.450 2.007 1.903 2.253 . 0 0 "[ . 1 . 2]" 1
13 1 18 ILE MD 1 108 PHE HB2 . . 4.060 2.518 2.207 3.075 . 0 0 "[ . 1 . 2]" 1
14 1 18 ILE MD 1 108 PHE HB3 . . 4.060 2.455 1.951 3.399 . 0 0 "[ . 1 . 2]" 1
15 1 18 ILE HB 1 18 ILE MD . . 3.510 2.109 2.014 2.301 . 0 0 "[ . 1 . 2]" 1
16 1 18 ILE MD 1 18 ILE MG . . 3.120 2.842 2.358 3.122 0.002 1 0 "[ . 1 . 2]" 1
17 1 18 ILE MD 1 104 VAL HA . . 4.550 4.057 3.614 4.563 0.013 15 0 "[ . 1 . 2]" 1
18 1 18 ILE HG12 1 108 PHE H . . 5.500 4.365 3.514 5.215 . 0 0 "[ . 1 . 2]" 1
19 1 17 GLN HA 1 18 ILE HG13 . . 4.910 3.954 3.727 4.355 . 0 0 "[ . 1 . 2]" 1
20 1 17 GLN HA 1 18 ILE HG12 . . 5.040 4.456 3.780 5.041 0.001 9 0 "[ . 1 . 2]" 1
21 1 19 ARG HA 1 33 ALA MB . . 4.780 3.179 2.634 3.700 . 0 0 "[ . 1 . 2]" 1
22 1 19 ARG HG3 1 20 ILE H . . 4.760 2.951 2.333 4.395 . 0 0 "[ . 1 . 2]" 1
23 1 20 ILE HB 1 20 ILE MD . . 3.570 2.213 2.030 2.374 . 0 0 "[ . 1 . 2]" 1
24 1 20 ILE MD 1 20 ILE MG . . 2.890 2.364 2.072 2.658 . 0 0 "[ . 1 . 2]" 1
25 1 20 ILE HA 1 20 ILE MD . . 4.510 4.131 4.048 4.178 . 0 0 "[ . 1 . 2]" 1
26 1 20 ILE MD 1 113 PHE HD1 . . 3.680 3.191 2.708 3.685 0.005 10 0 "[ . 1 . 2]" 1
27 1 20 ILE MD 1 22 PHE HD1 . . 3.660 3.521 2.694 3.683 0.023 9 0 "[ . 1 . 2]" 1
28 1 20 ILE H 1 20 ILE MD . . 4.350 3.809 3.726 3.938 . 0 0 "[ . 1 . 2]" 1
29 1 21 PHE HB2 1 113 PHE HD1 . . 5.100 4.864 4.317 5.113 0.013 17 0 "[ . 1 . 2]" 1
30 1 21 PHE HB3 1 113 PHE HD1 . . 5.500 5.387 5.034 5.521 0.021 12 0 "[ . 1 . 2]" 1
31 1 21 PHE HB2 1 112 VAL HA . . 4.370 2.741 1.981 3.224 . 0 0 "[ . 1 . 2]" 1
32 1 20 ILE MG 1 21 PHE HA . . 5.500 5.440 5.383 5.490 . 0 0 "[ . 1 . 2]" 1
33 1 22 PHE HA 1 22 PHE HD2 . . 4.320 2.309 2.157 2.752 . 0 0 "[ . 1 . 2]" 1
34 1 23 LYS HA 1 28 VAL HB . . 5.090 3.484 2.545 5.035 . 0 0 "[ . 1 . 2]" 1
35 1 23 LYS HA 1 24 THR HA . . 4.610 4.404 4.391 4.437 . 0 0 "[ . 1 . 2]" 1
36 1 23 LYS HB3 1 114 THR HB . . 4.430 4.032 3.786 4.344 . 0 0 "[ . 1 . 2]" 1
37 1 23 LYS HB3 1 114 THR MG . . 4.530 2.845 2.027 3.434 . 0 0 "[ . 1 . 2]" 1
38 1 23 LYS HB2 1 114 THR MG . . 5.020 4.205 3.384 4.657 . 0 0 "[ . 1 . 2]" 1
39 1 23 LYS HD2 1 114 THR MG . . 4.750 2.958 1.999 4.512 . 0 0 "[ . 1 . 2]" 1
40 1 23 LYS HD3 1 114 THR MG . . 4.750 3.611 1.978 4.757 0.007 20 0 "[ . 1 . 2]" 1
41 1 23 LYS HB3 1 23 LYS HD2 . . 3.950 2.458 1.994 3.685 . 0 0 "[ . 1 . 2]" 1
42 1 23 LYS HB3 1 23 LYS HD3 . . 3.950 3.199 2.237 3.771 . 0 0 "[ . 1 . 2]" 1
43 1 24 THR HA 1 115 VAL HB . . 4.100 3.078 2.468 3.399 . 0 0 "[ . 1 . 2]" 1
44 1 24 THR HB 1 115 VAL MG1 . . 5.500 5.003 4.490 5.331 . 0 0 "[ . 1 . 2]" 1
45 1 24 THR HB 1 115 VAL MG2 . . 5.500 4.885 4.447 5.163 . 0 0 "[ . 1 . 2]" 1
46 1 24 THR HB 1 115 VAL HB . . 4.440 4.176 3.548 4.449 0.009 8 0 "[ . 1 . 2]" 1
47 1 24 THR H 1 24 THR MG . . 3.610 2.551 2.317 2.797 . 0 0 "[ . 1 . 2]" 1
48 1 24 THR HA 1 24 THR MG . . 3.370 2.458 2.427 2.501 . 0 0 "[ . 1 . 2]" 1
49 1 23 LYS HA 1 24 THR MG . . 4.290 3.472 3.298 3.663 . 0 0 "[ . 1 . 2]" 1
50 1 24 THR MG 1 115 VAL HB . . 3.820 3.435 2.536 3.877 0.057 7 0 "[ . 1 . 2]" 1
51 1 27 GLN HA 1 27 GLN HG2 . . 4.170 3.742 3.585 3.831 . 0 0 "[ . 1 . 2]" 1
52 1 27 GLN HA 1 28 VAL HB . . 5.170 4.612 4.302 5.103 . 0 0 "[ . 1 . 2]" 1
53 1 22 PHE HD1 1 29 VAL HB . . 5.500 5.357 4.659 5.531 0.031 16 0 "[ . 1 . 2]" 1
54 1 31 ALA HA 1 32 LYS H . . 3.090 2.189 2.141 2.364 . 0 0 "[ . 1 . 2]" 1
55 1 20 ILE H 1 31 ALA MB . . 4.300 3.532 3.115 4.206 . 0 0 "[ . 1 . 2]" 1
56 1 31 ALA MB 1 32 LYS H . . 3.550 3.142 2.578 3.461 . 0 0 "[ . 1 . 2]" 1
57 1 22 PHE HD1 1 31 ALA MB . . 3.400 2.048 1.892 2.688 . 0 0 "[ . 1 . 2]" 1
58 1 22 PHE HE1 1 31 ALA MB . . 3.600 2.968 2.416 3.622 0.022 9 0 "[ . 1 . 2]" 1
59 1 31 ALA MB 1 46 ASN HB2 . . 3.950 3.246 2.270 3.979 0.029 10 0 "[ . 1 . 2]" 1
60 1 31 ALA MB 1 46 ASN HB3 . . 3.950 3.578 2.782 3.965 0.015 6 0 "[ . 1 . 2]" 1
61 1 20 ILE MD 1 31 ALA MB . . 3.660 2.340 1.871 3.375 . 0 0 "[ . 1 . 2]" 1
62 1 21 PHE HA 1 30 PRO HA . . 3.730 2.635 2.001 2.847 . 0 0 "[ . 1 . 2]" 1
63 1 115 VAL HA 1 116 PRO HG2 . . 4.530 4.220 4.121 4.284 . 0 0 "[ . 1 . 2]" 1
64 1 115 VAL HA 1 116 PRO HG3 . . 4.530 4.391 4.333 4.490 . 0 0 "[ . 1 . 2]" 1
65 1 66 ILE MD 1 116 PRO HG3 . . 4.590 2.817 2.084 3.849 . 0 0 "[ . 1 . 2]" 1
66 1 19 ARG HA 1 32 LYS HA . . 4.570 2.432 1.999 2.674 . 0 0 "[ . 1 . 2]" 1
67 1 32 LYS H 1 32 LYS HB2 . . 4.080 3.077 2.202 3.688 . 0 0 "[ . 1 . 2]" 1
68 1 32 LYS H 1 32 LYS HG2 . . 4.520 3.169 1.946 4.564 0.044 9 0 "[ . 1 . 2]" 1
69 1 32 LYS H 1 32 LYS HG3 . . 4.520 3.466 2.128 4.561 0.041 9 0 "[ . 1 . 2]" 1
70 1 18 ILE H 1 33 ALA MB . . 4.230 2.994 2.557 3.505 . 0 0 "[ . 1 . 2]" 1
71 1 18 ILE HB 1 33 ALA MB . . 4.810 4.363 3.857 4.803 . 0 0 "[ . 1 . 2]" 1
72 1 18 ILE MD 1 33 ALA MB . . 3.500 2.493 1.896 3.436 . 0 0 "[ . 1 . 2]" 1
73 1 33 ALA MB 1 104 VAL MG1 . . 3.740 1.825 1.737 1.982 . 0 0 "[ . 1 . 2]" 1
74 1 18 ILE HG13 1 33 ALA MB . . 3.140 2.421 1.946 3.111 . 0 0 "[ . 1 . 2]" 1
75 1 35 CYS HA 1 104 VAL MG2 . . 5.500 4.944 4.202 5.443 . 0 0 "[ . 1 . 2]" 1
76 1 35 CYS HA 1 104 VAL HB . . 4.800 3.903 3.375 4.324 . 0 0 "[ . 1 . 2]" 1
77 1 37 SER HA 1 38 THR H . . 3.320 2.576 2.216 2.720 . 0 0 "[ . 1 . 2]" 1
78 1 38 THR HA 1 38 THR HG1 . . 4.080 3.836 3.064 4.079 . 0 0 "[ . 1 . 2]" 1
79 1 38 THR HA 1 103 ARG HA . . 4.090 3.441 2.194 4.097 0.007 4 0 "[ . 1 . 2]" 1
80 1 38 THR HA 1 104 VAL H . . 4.620 4.028 2.866 4.622 0.002 8 0 "[ . 1 . 2]" 1
81 1 41 ASP H 1 41 ASP HB2 . . 4.020 2.386 2.131 2.619 . 0 0 "[ . 1 . 2]" 1
82 1 41 ASP H 1 41 ASP HB3 . . 4.020 3.009 2.481 3.596 . 0 0 "[ . 1 . 2]" 1
83 1 41 ASP HB3 1 42 VAL H . . 4.320 3.265 2.938 3.897 . 0 0 "[ . 1 . 2]" 1
84 1 41 ASP HB2 1 42 VAL H . . 4.320 3.588 2.959 4.080 . 0 0 "[ . 1 . 2]" 1
85 1 38 THR H 1 41 ASP HB2 . . 4.170 3.021 2.018 3.846 . 0 0 "[ . 1 . 2]" 1
86 1 38 THR H 1 41 ASP HB3 . . 4.170 2.784 1.992 3.994 . 0 0 "[ . 1 . 2]" 1
87 1 42 VAL HA 1 45 LYS HB2 . . 3.680 3.297 2.977 3.706 0.026 18 0 "[ . 1 . 2]" 1
88 1 39 VAL HA 1 42 VAL HB . . 4.070 2.790 2.351 2.974 . 0 0 "[ . 1 . 2]" 1
89 1 22 PHE HD1 1 42 VAL HB . . 4.770 4.706 4.236 4.805 0.035 15 0 "[ . 1 . 2]" 1
90 1 20 ILE MD 1 42 VAL HB . . 4.210 3.168 2.314 3.498 . 0 0 "[ . 1 . 2]" 1
91 1 20 ILE MD 1 42 VAL MG1 . . 3.320 2.700 1.871 3.195 . 0 0 "[ . 1 . 2]" 1
92 1 42 VAL HA 1 42 VAL MG1 . . 3.480 2.363 2.245 2.415 . 0 0 "[ . 1 . 2]" 1
93 1 33 ALA HA 1 42 VAL MG1 . . 4.440 3.571 2.929 4.047 . 0 0 "[ . 1 . 2]" 1
94 1 42 VAL H 1 42 VAL MG1 . . 4.070 3.765 3.749 3.780 . 0 0 "[ . 1 . 2]" 1
95 1 43 ALA MB 1 48 VAL MG2 . . 4.090 3.513 3.173 4.090 . 0 0 "[ . 1 . 2]" 1
96 1 43 ALA MB 1 48 VAL MG1 . . 4.090 2.840 1.799 3.420 . 0 0 "[ . 1 . 2]" 1
97 1 22 PHE HD1 1 43 ALA MB . . 4.830 4.097 3.493 4.757 . 0 0 "[ . 1 . 2]" 1
98 1 22 PHE HE1 1 43 ALA MB . . 4.360 3.141 2.237 4.189 . 0 0 "[ . 1 . 2]" 1
99 1 22 PHE HD1 1 43 ALA HA . . 4.400 3.611 2.939 4.320 . 0 0 "[ . 1 . 2]" 1
100 1 22 PHE HE1 1 43 ALA HA . . 4.530 2.951 2.208 4.320 . 0 0 "[ . 1 . 2]" 1
101 1 43 ALA HA 1 50 LEU H . . 5.500 5.458 4.892 5.568 0.068 13 0 "[ . 1 . 2]" 1
102 1 43 ALA HA 1 48 VAL H . . 4.010 3.375 2.788 3.837 . 0 0 "[ . 1 . 2]" 1
103 1 43 ALA HA 1 48 VAL HB . . 3.470 2.558 2.004 3.325 . 0 0 "[ . 1 . 2]" 1
104 1 43 ALA HA 1 48 VAL MG2 . . 4.460 3.060 2.318 4.477 0.017 13 0 "[ . 1 . 2]" 1
105 1 45 LYS HB2 1 46 ASN H . . 3.120 2.478 2.281 2.758 . 0 0 "[ . 1 . 2]" 1
106 1 45 LYS HB3 1 45 LYS HE2 . . 5.110 3.513 2.161 4.382 . 0 0 "[ . 1 . 2]" 1
107 1 45 LYS HB3 1 45 LYS HE3 . . 5.110 3.028 2.019 4.354 . 0 0 "[ . 1 . 2]" 1
108 1 45 LYS HB3 1 45 LYS HD3 . . 4.070 3.698 3.185 3.745 . 0 0 "[ . 1 . 2]" 1
109 1 45 LYS HA 1 45 LYS HG3 . . 4.090 3.779 2.649 3.859 . 0 0 "[ . 1 . 2]" 1
110 1 45 LYS HA 1 45 LYS HG2 . . 4.090 3.250 3.140 3.395 . 0 0 "[ . 1 . 2]" 1
111 1 44 HIS H 1 45 LYS HD2 . . 5.500 5.348 3.650 5.536 0.036 13 0 "[ . 1 . 2]" 1
112 1 44 HIS H 1 45 LYS HD3 . . 5.500 5.278 4.396 5.505 0.005 12 0 "[ . 1 . 2]" 1
113 1 45 LYS HA 1 45 LYS HD3 . . 4.380 3.630 3.127 4.456 0.076 18 0 "[ . 1 . 2]" 1
114 1 45 LYS HB3 1 45 LYS HD2 . . 4.070 2.802 2.477 3.984 . 0 0 "[ . 1 . 2]" 1
115 1 45 LYS HA 1 45 LYS HD2 . . 4.380 2.181 2.002 4.397 0.017 18 0 "[ . 1 . 2]" 1
116 1 48 VAL MG2 1 50 LEU H . . 5.500 5.383 4.624 5.480 . 0 0 "[ . 1 . 2]" 1
117 1 22 PHE HD1 1 48 VAL MG2 . . 4.910 2.749 2.188 3.674 . 0 0 "[ . 1 . 2]" 1
118 1 22 PHE HE1 1 48 VAL MG2 . . 5.500 4.138 3.405 5.251 . 0 0 "[ . 1 . 2]" 1
119 1 48 VAL HA 1 48 VAL MG2 . . 3.500 2.342 2.014 2.434 . 0 0 "[ . 1 . 2]" 1
120 1 48 VAL MG1 1 50 LEU H . . 5.500 3.412 2.721 3.785 . 0 0 "[ . 1 . 2]" 1
121 1 22 PHE HD1 1 48 VAL MG1 . . 4.910 3.959 3.156 4.403 . 0 0 "[ . 1 . 2]" 1
122 1 22 PHE HE1 1 48 VAL MG1 . . 5.500 4.744 3.834 5.211 . 0 0 "[ . 1 . 2]" 1
123 1 48 VAL HA 1 48 VAL MG1 . . 3.500 2.382 2.218 3.150 . 0 0 "[ . 1 . 2]" 1
124 1 43 ALA HA 1 48 VAL MG1 . . 4.460 3.902 2.267 4.397 . 0 0 "[ . 1 . 2]" 1
125 1 43 ALA MB 1 48 VAL HB . . 3.680 2.358 1.979 3.810 0.130 13 0 "[ . 1 . 2]" 1
126 1 29 VAL MG1 1 48 VAL HA . . 5.180 4.811 2.361 5.202 0.022 10 0 "[ . 1 . 2]" 1
127 1 29 VAL MG2 1 48 VAL HA . . 5.180 3.812 3.367 5.048 . 0 0 "[ . 1 . 2]" 1
128 1 49 ASP HB2 1 50 LEU H . . 4.720 4.613 4.549 4.647 . 0 0 "[ . 1 . 2]" 1
129 1 49 ASP HB3 1 50 LEU H . . 4.720 4.464 4.406 4.534 . 0 0 "[ . 1 . 2]" 1
130 1 48 VAL HA 1 49 ASP HB2 . . 4.840 4.484 4.349 4.640 . 0 0 "[ . 1 . 2]" 1
131 1 48 VAL HA 1 49 ASP HB3 . . 4.840 4.701 4.491 4.840 0.000 1 0 "[ . 1 . 2]" 1
132 1 50 LEU HA 1 50 LEU HG . . 4.110 3.169 2.144 3.692 . 0 0 "[ . 1 . 2]" 1
133 1 65 VAL HB 1 113 PHE HD2 . . 5.390 5.107 4.543 5.402 0.012 16 0 "[ . 1 . 2]" 1
134 1 65 VAL HB 1 66 ILE H . . 3.950 3.559 2.402 3.968 0.018 15 0 "[ . 1 . 2]" 1
135 1 65 VAL MG2 1 66 ILE H . . 4.840 3.529 1.919 3.968 . 0 0 "[ . 1 . 2]" 1
136 1 66 ILE H 1 66 ILE HB . . 3.960 2.494 2.435 2.671 . 0 0 "[ . 1 . 2]" 1
137 1 66 ILE HB 1 114 THR MG . . 3.860 2.319 2.070 2.984 . 0 0 "[ . 1 . 2]" 1
138 1 66 ILE MG 1 67 LEU H . . 3.570 2.510 2.396 2.595 . 0 0 "[ . 1 . 2]" 1
139 1 66 ILE H 1 66 ILE MG . . 4.100 3.778 3.755 3.814 . 0 0 "[ . 1 . 2]" 1
140 1 66 ILE MG 1 114 THR H . . 4.250 3.406 3.109 3.953 . 0 0 "[ . 1 . 2]" 1
141 1 66 ILE MG 1 93 THR H . . 5.500 5.511 5.496 5.526 0.026 18 0 "[ . 1 . 2]" 1
142 1 66 ILE MG 1 93 THR HB . . 4.490 4.259 3.879 4.455 . 0 0 "[ . 1 . 2]" 1
143 1 66 ILE MG 1 114 THR HB . . 3.490 2.169 2.004 2.666 . 0 0 "[ . 1 . 2]" 1
144 1 66 ILE MG 1 67 LEU HB3 . . 4.790 4.663 4.604 4.719 . 0 0 "[ . 1 . 2]" 1
145 1 66 ILE MG 1 67 LEU HA . . 4.630 3.493 3.425 3.787 . 0 0 "[ . 1 . 2]" 1
146 1 66 ILE H 1 66 ILE MD . . 3.940 3.047 2.118 3.810 . 0 0 "[ . 1 . 2]" 1
147 1 66 ILE MD 1 116 PRO HA . . 4.210 3.134 2.101 4.243 0.033 4 0 "[ . 1 . 2]" 1
148 1 66 ILE MD 1 114 THR HB . . 3.620 3.420 3.272 3.580 . 0 0 "[ . 1 . 2]" 1
149 1 66 ILE MD 1 116 PRO HB2 . . 4.020 3.601 3.259 4.029 0.009 15 0 "[ . 1 . 2]" 1
150 1 66 ILE MD 1 116 PRO HB3 . . 4.020 2.325 1.885 2.608 . 0 0 "[ . 1 . 2]" 1
151 1 66 ILE MD 1 116 PRO HG2 . . 4.590 3.910 3.483 4.632 0.042 15 0 "[ . 1 . 2]" 1
152 1 66 ILE HB 1 66 ILE MD . . 3.180 2.242 2.005 2.446 . 0 0 "[ . 1 . 2]" 1
153 1 66 ILE MD 1 114 THR MG . . 3.360 2.255 1.911 2.941 . 0 0 "[ . 1 . 2]" 1
154 1 67 LEU HB3 1 72 TYR HD2 . . 4.840 2.355 1.998 3.379 . 0 0 "[ . 1 . 2]" 1
155 1 67 LEU HA 1 67 LEU HG . . 4.210 3.031 2.770 3.173 . 0 0 "[ . 1 . 2]" 1
156 1 68 GLU HB2 1 70 PRO HD2 . . 4.450 4.293 3.838 4.405 . 0 0 "[ . 1 . 2]" 1
157 1 68 GLU HA 1 68 GLU HG3 . . 4.080 3.357 2.495 3.567 . 0 0 "[ . 1 . 2]" 1
158 1 68 GLU H 1 68 GLU HG2 . . 4.310 3.561 3.175 3.832 . 0 0 "[ . 1 . 2]" 1
159 1 68 GLU H 1 68 GLU HG3 . . 4.310 3.835 2.370 4.249 . 0 0 "[ . 1 . 2]" 1
160 1 68 GLU HA 1 68 GLU HG2 . . 4.080 2.278 2.019 3.530 . 0 0 "[ . 1 . 2]" 1
161 1 68 GLU HG2 1 112 VAL HA . . 5.500 4.896 3.988 5.431 . 0 0 "[ . 1 . 2]" 1
162 1 68 GLU HG3 1 112 VAL HA . . 5.500 4.558 3.995 5.423 . 0 0 "[ . 1 . 2]" 1
163 1 68 GLU HG2 1 112 VAL HB . . 4.630 2.220 1.970 3.106 . 0 0 "[ . 1 . 2]" 1
164 1 68 GLU HG3 1 112 VAL HB . . 4.630 2.467 1.959 3.717 . 0 0 "[ . 1 . 2]" 1
165 1 69 GLU HB3 1 95 THR MG . . 5.160 4.812 4.510 5.163 0.003 15 0 "[ . 1 . 2]" 1
166 1 69 GLU HB2 1 95 THR MG . . 5.160 4.942 4.641 5.187 0.027 15 0 "[ . 1 . 2]" 1
167 1 69 GLU HA 1 95 THR MG . . 3.280 2.558 2.197 2.990 . 0 0 "[ . 1 . 2]" 1
168 1 69 GLU HA 1 72 TYR HB2 . . 4.870 4.567 4.410 4.737 . 0 0 "[ . 1 . 2]" 1
169 1 69 GLU HA 1 72 TYR HB3 . . 3.750 3.574 3.471 3.763 0.013 15 0 "[ . 1 . 2]" 1
170 1 69 GLU HA 1 72 TYR HD1 . . 5.500 5.157 4.560 5.508 0.008 9 0 "[ . 1 . 2]" 1
171 1 69 GLU HA 1 72 TYR H . . 4.320 4.198 4.011 4.298 . 0 0 "[ . 1 . 2]" 1
172 1 69 GLU HA 1 73 ARG H . . 4.890 4.168 4.050 4.310 . 0 0 "[ . 1 . 2]" 1
173 1 70 PRO HA 1 73 ARG H . . 4.670 3.610 3.400 3.759 . 0 0 "[ . 1 . 2]" 1
174 1 70 PRO HA 1 73 ARG HB2 . . 3.370 3.027 2.476 3.383 0.013 13 0 "[ . 1 . 2]" 1
175 1 69 GLU HB2 1 70 PRO HD3 . . 3.990 2.333 2.156 2.545 . 0 0 "[ . 1 . 2]" 1
176 1 68 GLU HB3 1 70 PRO HD2 . . 3.550 2.723 2.559 2.801 . 0 0 "[ . 1 . 2]" 1
177 1 71 LEU HA 1 71 LEU MD2 . . 4.580 3.119 1.975 3.890 . 0 0 "[ . 1 . 2]" 1
178 1 71 LEU MD2 1 111 ALA MB . . 3.650 2.140 1.757 3.212 . 0 0 "[ . 1 . 2]" 1
179 1 71 LEU HA 1 71 LEU MD1 . . 4.580 2.732 2.301 3.515 . 0 0 "[ . 1 . 2]" 1
180 1 71 LEU MD1 1 108 PHE HA . . 4.150 2.657 1.972 3.967 . 0 0 "[ . 1 . 2]" 1
181 1 71 LEU MD1 1 111 ALA MB . . 3.650 2.218 1.795 3.160 . 0 0 "[ . 1 . 2]" 1
182 1 71 LEU HA 1 74 LYS H . . 4.710 3.856 3.663 4.066 . 0 0 "[ . 1 . 2]" 1
183 1 71 LEU HA 1 75 LEU H . . 5.080 4.106 3.997 4.291 . 0 0 "[ . 1 . 2]" 1
184 1 72 TYR HB2 1 95 THR HB . . 4.430 2.934 2.473 3.103 . 0 0 "[ . 1 . 2]" 1
185 1 67 LEU HB3 1 72 TYR HB3 . . 4.800 3.713 3.525 4.198 . 0 0 "[ . 1 . 2]" 1
186 1 67 LEU HB3 1 72 TYR HB2 . . 4.460 2.173 1.984 2.655 . 0 0 "[ . 1 . 2]" 1
187 1 67 LEU HG 1 72 TYR HB3 . . 5.130 4.579 3.989 5.139 0.009 16 0 "[ . 1 . 2]" 1
188 1 72 TYR HA 1 72 TYR HD2 . . 4.010 3.046 2.339 3.371 . 0 0 "[ . 1 . 2]" 1
189 1 72 TYR HA 1 75 LEU H . . 4.300 3.379 3.230 3.569 . 0 0 "[ . 1 . 2]" 1
190 1 72 TYR HA 1 75 LEU HG . . 4.200 3.859 3.159 4.207 0.007 4 0 "[ . 1 . 2]" 1
191 1 73 ARG HB2 1 74 LYS H . . 4.130 3.495 2.896 3.725 . 0 0 "[ . 1 . 2]" 1
192 1 72 TYR HD1 1 73 ARG HB2 . . 4.650 4.253 3.740 4.662 0.012 17 0 "[ . 1 . 2]" 1
193 1 70 PRO HA 1 73 ARG HB3 . . 4.200 3.070 2.800 3.649 . 0 0 "[ . 1 . 2]" 1
194 1 73 ARG HB3 1 74 LYS HA . . 3.970 3.988 3.919 4.032 0.062 10 0 "[ . 1 . 2]" 1
195 1 74 LYS HA 1 74 LYS HD2 . . 5.500 4.682 4.279 5.400 . 0 0 "[ . 1 . 2]" 1
196 1 74 LYS HA 1 74 LYS HD3 . . 5.500 4.354 3.863 5.501 0.001 17 0 "[ . 1 . 2]" 1
197 1 72 TYR HD1 1 73 ARG HA . . 4.230 3.055 2.737 4.011 . 0 0 "[ . 1 . 2]" 1
198 1 73 ARG HA 1 73 ARG HD2 . . 5.150 3.716 2.143 4.766 . 0 0 "[ . 1 . 2]" 1
199 1 73 ARG HA 1 73 ARG HD3 . . 5.150 3.787 2.787 4.724 . 0 0 "[ . 1 . 2]" 1
200 1 74 LYS H 1 74 LYS HG2 . . 4.350 3.447 2.317 3.782 . 0 0 "[ . 1 . 2]" 1
201 1 74 LYS H 1 74 LYS HG3 . . 4.350 2.789 2.306 3.081 . 0 0 "[ . 1 . 2]" 1
202 1 73 ARG HB3 1 74 LYS HG2 . . 4.600 4.311 3.901 4.614 0.014 9 0 "[ . 1 . 2]" 1
203 1 73 ARG HB3 1 74 LYS HG3 . . 4.600 3.896 3.107 4.661 0.061 17 0 "[ . 1 . 2]" 1
204 1 75 LEU H 1 75 LEU HB2 . . 4.180 2.271 2.051 2.723 . 0 0 "[ . 1 . 2]" 1
205 1 75 LEU HA 1 75 LEU HG . . 4.130 3.566 2.809 3.671 . 0 0 "[ . 1 . 2]" 1
206 1 75 LEU H 1 75 LEU MD1 . . 4.840 4.062 3.848 4.199 . 0 0 "[ . 1 . 2]" 1
207 1 75 LEU H 1 75 LEU MD2 . . 4.840 2.782 2.140 4.296 . 0 0 "[ . 1 . 2]" 1
208 1 75 LEU HA 1 75 LEU MD1 . . 3.440 2.540 1.996 3.794 0.354 1 0 "[ . 1 . 2]" 1
209 1 75 LEU HA 1 75 LEU MD2 . . 3.440 2.403 1.930 3.703 0.263 16 0 "[ . 1 . 2]" 1
210 1 77 GLU H 1 77 GLU HB2 . . 3.800 3.497 2.236 3.754 . 0 0 "[ . 1 . 2]" 1
211 1 77 GLU HB2 1 78 PRO HD2 . . 3.950 2.219 1.974 3.594 . 0 0 "[ . 1 . 2]" 1
212 1 77 GLU HB3 1 78 PRO HD2 . . 3.950 2.825 1.997 3.012 . 0 0 "[ . 1 . 2]" 1
213 1 77 GLU HA 1 78 PRO HD2 . . 3.230 2.466 2.450 2.506 . 0 0 "[ . 1 . 2]" 1
214 1 77 GLU HA 1 78 PRO HD3 . . 3.410 2.326 2.318 2.345 . 0 0 "[ . 1 . 2]" 1
215 1 77 GLU HA 1 78 PRO HG2 . . 5.210 4.567 4.553 4.600 . 0 0 "[ . 1 . 2]" 1
216 1 77 GLU HA 1 78 PRO HG3 . . 5.210 4.512 4.501 4.538 . 0 0 "[ . 1 . 2]" 1
217 1 80 ASP HB2 1 81 LYS H . . 4.300 3.115 2.528 3.835 . 0 0 "[ . 1 . 2]" 1
218 1 80 ASP HB3 1 81 LYS H . . 4.300 3.426 2.478 3.952 . 0 0 "[ . 1 . 2]" 1
219 1 80 ASP HA 1 83 TYR HB3 . . 3.880 2.893 2.115 3.423 . 0 0 "[ . 1 . 2]" 1
220 1 80 ASP HA 1 83 TYR HB2 . . 3.880 2.383 2.065 2.912 . 0 0 "[ . 1 . 2]" 1
221 1 80 ASP HA 1 83 TYR HD1 . . 4.220 4.285 4.186 4.419 0.199 10 0 "[ . 1 . 2]" 1
222 1 80 ASP HA 1 83 TYR HD2 . . 4.420 4.483 4.414 4.588 0.168 10 0 "[ . 1 . 2]" 1
223 1 83 TYR HA 1 86 ILE HB . . 3.630 3.467 3.275 3.642 0.012 4 0 "[ . 1 . 2]" 1
224 1 83 TYR HA 1 86 ILE MD . . 3.740 3.066 2.244 3.736 . 0 0 "[ . 1 . 2]" 1
225 1 83 TYR HA 1 86 ILE H . . 4.270 3.898 3.717 4.030 . 0 0 "[ . 1 . 2]" 1
226 1 78 PRO HB2 1 83 TYR HA . . 4.410 4.284 3.768 4.441 0.031 17 0 "[ . 1 . 2]" 1
227 1 84 ASP HB3 1 85 LEU H . . 4.530 2.681 2.605 2.783 . 0 0 "[ . 1 . 2]" 1
228 1 84 ASP HB2 1 85 LEU H . . 4.530 3.537 3.479 3.610 . 0 0 "[ . 1 . 2]" 1
229 1 81 LYS HA 1 84 ASP HB2 . . 4.160 4.159 4.082 4.184 0.024 6 0 "[ . 1 . 2]" 1
230 1 81 LYS HA 1 84 ASP HB3 . . 4.160 4.158 4.088 4.182 0.022 3 0 "[ . 1 . 2]" 1
231 1 86 ILE H 1 86 ILE HB . . 3.980 2.512 2.497 2.541 . 0 0 "[ . 1 . 2]" 1
232 1 86 ILE MG 1 96 SER H . . 4.140 4.013 3.606 4.163 0.023 10 0 "[ . 1 . 2]" 1
233 1 86 ILE MG 1 87 ASP H . . 4.100 3.471 3.146 3.649 . 0 0 "[ . 1 . 2]" 1
234 1 86 ILE MG 1 94 GLY H . . 5.240 3.270 2.804 3.659 . 0 0 "[ . 1 . 2]" 1
235 1 86 ILE MG 1 93 THR H . . 4.830 3.285 2.438 3.869 . 0 0 "[ . 1 . 2]" 1
236 1 86 ILE MG 1 96 SER HB3 . . 3.610 3.567 3.345 3.622 0.012 14 0 "[ . 1 . 2]" 1
237 1 86 ILE MG 1 96 SER HB2 . . 4.450 4.418 4.250 4.460 0.010 12 0 "[ . 1 . 2]" 1
238 1 86 ILE HA 1 86 ILE MG . . 3.720 2.351 2.302 2.399 . 0 0 "[ . 1 . 2]" 1
239 1 83 TYR HD1 1 86 ILE MD . . 5.140 4.712 4.189 5.242 0.102 10 0 "[ . 1 . 2]" 1
240 1 86 ILE MD 1 96 SER H . . 5.500 4.282 3.795 4.532 . 0 0 "[ . 1 . 2]" 1
241 1 86 ILE H 1 86 ILE MD . . 4.600 3.255 3.047 3.532 . 0 0 "[ . 1 . 2]" 1
242 1 86 ILE MD 1 87 ASP H . . 4.930 4.298 3.981 4.609 . 0 0 "[ . 1 . 2]" 1
243 1 86 ILE MD 1 96 SER HB3 . . 4.760 4.558 4.019 4.775 0.015 15 0 "[ . 1 . 2]" 1
244 1 78 PRO HD2 1 86 ILE MD . . 5.500 4.885 3.927 5.506 0.006 2 0 "[ . 1 . 2]" 1
245 1 78 PRO HD3 1 86 ILE MD . . 5.500 4.582 4.097 5.000 . 0 0 "[ . 1 . 2]" 1
246 1 86 ILE HA 1 86 ILE MD . . 4.530 3.876 3.859 3.885 . 0 0 "[ . 1 . 2]" 1
247 1 86 ILE HB 1 86 ILE MD . . 3.710 2.165 2.061 2.354 . 0 0 "[ . 1 . 2]" 1
248 1 86 ILE HA 1 89 ALA H . . 4.330 3.434 3.219 3.888 . 0 0 "[ . 1 . 2]" 1
249 1 87 ASP H 1 87 ASP HB2 . . 3.370 2.463 2.090 2.669 . 0 0 "[ . 1 . 2]" 1
250 1 87 ASP H 1 87 ASP HB3 . . 3.370 2.650 2.399 3.406 0.036 15 0 "[ . 1 . 2]" 1
251 1 87 ASP HB2 1 88 GLN H . . 4.420 4.058 3.398 4.256 . 0 0 "[ . 1 . 2]" 1
252 1 87 ASP HA 1 92 ALA MB . . 4.250 3.919 3.403 4.256 0.006 16 0 "[ . 1 . 2]" 1
253 1 86 ILE MG 1 87 ASP HA . . 3.980 3.505 3.258 3.715 . 0 0 "[ . 1 . 2]" 1
254 1 88 GLN H 1 88 GLN HG2 . . 4.160 3.366 2.695 4.077 . 0 0 "[ . 1 . 2]" 1
255 1 88 GLN H 1 88 GLN HG3 . . 4.160 3.467 2.859 4.376 0.216 17 0 "[ . 1 . 2]" 1
256 1 88 GLN HG2 1 89 ALA H . . 5.280 4.142 2.290 5.226 . 0 0 "[ . 1 . 2]" 1
257 1 88 GLN HG3 1 89 ALA H . . 5.280 4.486 3.336 5.221 . 0 0 "[ . 1 . 2]" 1
258 1 88 GLN HA 1 88 GLN HG3 . . 3.770 3.296 2.720 3.707 . 0 0 "[ . 1 . 2]" 1
259 1 88 GLN HA 1 88 GLN HG2 . . 3.770 2.790 2.187 3.738 . 0 0 "[ . 1 . 2]" 1
260 1 89 ALA H 1 89 ALA MB . . 3.260 2.129 2.061 2.247 . 0 0 "[ . 1 . 2]" 1
261 1 88 GLN H 1 89 ALA MB . . 4.670 4.067 3.939 4.104 . 0 0 "[ . 1 . 2]" 1
262 1 86 ILE HA 1 89 ALA MB . . 3.830 3.012 2.485 3.381 . 0 0 "[ . 1 . 2]" 1
263 1 90 PHE HA 1 92 ALA H . . 3.980 3.945 3.782 3.991 0.011 4 0 "[ . 1 . 2]" 1
264 1 90 PHE HA 1 91 GLY HA3 . . 4.760 4.400 4.370 4.440 . 0 0 "[ . 1 . 2]" 1
265 1 90 PHE HA 1 91 GLY HA2 . . 4.760 4.383 4.379 4.388 . 0 0 "[ . 1 . 2]" 1
266 1 86 ILE MG 1 92 ALA HA . . 4.470 3.664 3.396 4.135 . 0 0 "[ . 1 . 2]" 1
267 1 89 ALA H 1 92 ALA MB . . 4.180 3.168 2.787 3.529 . 0 0 "[ . 1 . 2]" 1
268 1 92 ALA MB 1 96 SER HB3 . . 4.660 4.090 3.563 4.630 . 0 0 "[ . 1 . 2]" 1
269 1 86 ILE HA 1 92 ALA MB . . 4.680 3.282 2.760 3.808 . 0 0 "[ . 1 . 2]" 1
270 1 86 ILE MG 1 92 ALA MB . . 3.010 1.881 1.823 2.129 . 0 0 "[ . 1 . 2]" 1
271 1 72 TYR HE1 1 95 THR HA . . 4.560 3.495 3.015 4.331 . 0 0 "[ . 1 . 2]" 1
272 1 72 TYR HE2 1 95 THR HA . . 4.760 3.419 3.022 4.397 . 0 0 "[ . 1 . 2]" 1
273 1 72 TYR HD1 1 95 THR HA . . 4.370 3.607 2.921 4.309 . 0 0 "[ . 1 . 2]" 1
274 1 72 TYR HD2 1 95 THR HA . . 4.560 3.541 3.304 4.330 . 0 0 "[ . 1 . 2]" 1
275 1 67 LEU HG 1 95 THR HB . . 5.150 4.786 4.506 5.219 0.069 15 0 "[ . 1 . 2]" 1
276 1 67 LEU HB3 1 95 THR HB . . 4.260 2.770 2.616 3.258 . 0 0 "[ . 1 . 2]" 1
277 1 67 LEU HB2 1 95 THR HB . . 4.540 4.041 3.389 4.662 0.122 15 0 "[ . 1 . 2]" 1
278 1 72 TYR HD1 1 95 THR HB . . 5.270 4.071 3.108 4.623 . 0 0 "[ . 1 . 2]" 1
279 1 72 TYR HD2 1 95 THR HB . . 5.450 3.696 3.249 4.914 . 0 0 "[ . 1 . 2]" 1
280 1 67 LEU H 1 95 THR HB . . 4.440 2.574 2.432 3.965 . 0 0 "[ . 1 . 2]" 1
281 1 95 THR HA 1 95 THR MG . . 3.250 2.452 2.362 3.174 . 0 0 "[ . 1 . 2]" 1
282 1 72 TYR HB3 1 95 THR MG . . 3.780 2.102 1.942 3.435 . 0 0 "[ . 1 . 2]" 1
283 1 72 TYR HB2 1 95 THR MG . . 3.930 3.079 2.928 3.828 . 0 0 "[ . 1 . 2]" 1
284 1 67 LEU HB3 1 95 THR MG . . 4.090 3.942 3.721 4.092 0.002 19 0 "[ . 1 . 2]" 1
285 1 72 TYR HD1 1 95 THR MG . . 3.990 2.373 1.906 3.681 . 0 0 "[ . 1 . 2]" 1
286 1 67 LEU H 1 95 THR MG . . 4.610 4.043 3.275 4.153 . 0 0 "[ . 1 . 2]" 1
287 1 93 THR H 1 96 SER HB2 . . 4.600 2.929 2.495 3.278 . 0 0 "[ . 1 . 2]" 1
288 1 96 SER HB3 1 97 ARG H . . 5.190 3.275 3.202 3.331 . 0 0 "[ . 1 . 2]" 1
289 1 93 THR HB 1 96 SER HB3 . . 4.920 4.569 4.018 4.798 . 0 0 "[ . 1 . 2]" 1
290 1 39 VAL HB 1 40 LEU HG . . 5.230 4.652 3.344 5.244 0.014 6 0 "[ . 1 . 2]" 1
291 1 103 ARG HB2 1 104 VAL H . . 4.820 3.967 2.319 4.392 . 0 0 "[ . 1 . 2]" 1
292 1 103 ARG H 1 103 ARG HG3 . . 5.000 4.105 2.934 4.819 . 0 0 "[ . 1 . 2]" 1
293 1 103 ARG H 1 103 ARG HG2 . . 5.000 4.007 2.626 4.998 . 0 0 "[ . 1 . 2]" 1
294 1 103 ARG HA 1 103 ARG HD2 . . 4.370 3.776 2.079 4.355 . 0 0 "[ . 1 . 2]" 1
295 1 104 VAL H 1 104 VAL MG2 . . 4.010 2.434 1.987 2.703 . 0 0 "[ . 1 . 2]" 1
296 1 104 VAL MG2 1 108 PHE HD1 . . 5.080 3.934 2.984 4.478 . 0 0 "[ . 1 . 2]" 1
297 1 33 ALA HA 1 104 VAL MG2 . . 4.920 3.513 2.772 3.923 . 0 0 "[ . 1 . 2]" 1
298 1 104 VAL HA 1 104 VAL MG2 . . 3.470 2.380 2.275 2.470 . 0 0 "[ . 1 . 2]" 1
299 1 33 ALA MB 1 104 VAL MG2 . . 3.740 2.088 1.818 2.756 . 0 0 "[ . 1 . 2]" 1
300 1 104 VAL H 1 104 VAL MG1 . . 4.010 3.801 3.764 3.854 . 0 0 "[ . 1 . 2]" 1
301 1 104 VAL MG1 1 108 PHE HD1 . . 5.080 3.916 2.840 4.622 . 0 0 "[ . 1 . 2]" 1
302 1 104 VAL MG1 1 105 ASP H . . 4.510 2.569 1.975 2.890 . 0 0 "[ . 1 . 2]" 1
303 1 33 ALA HA 1 104 VAL MG1 . . 4.920 3.840 3.259 4.388 . 0 0 "[ . 1 . 2]" 1
304 1 35 CYS HA 1 104 VAL MG1 . . 5.500 4.013 3.491 4.483 . 0 0 "[ . 1 . 2]" 1
305 1 104 VAL HA 1 104 VAL MG1 . . 3.470 2.368 2.255 2.409 . 0 0 "[ . 1 . 2]" 1
306 1 36 GLY H 1 104 VAL HB . . 4.450 3.395 2.995 3.621 . 0 0 "[ . 1 . 2]" 1
307 1 106 LYS HA 1 108 PHE H . . 4.380 3.787 3.698 3.940 . 0 0 "[ . 1 . 2]" 1
308 1 18 ILE HB 1 106 LYS HA . . 4.920 4.644 4.182 4.908 . 0 0 "[ . 1 . 2]" 1
309 1 18 ILE MG 1 106 LYS HA . . 4.130 2.246 1.947 2.571 . 0 0 "[ . 1 . 2]" 1
310 1 18 ILE MD 1 106 LYS HA . . 4.620 3.986 2.629 4.632 0.012 15 0 "[ . 1 . 2]" 1
311 1 20 ILE MG 1 108 PHE HB3 . . 4.560 2.687 2.163 3.379 . 0 0 "[ . 1 . 2]" 1
312 1 71 LEU MD2 1 108 PHE HA . . 4.150 3.012 1.975 4.156 0.006 9 0 "[ . 1 . 2]" 1
313 1 109 GLU H 1 109 GLU HB3 . . 3.670 2.629 2.545 2.704 . 0 0 "[ . 1 . 2]" 1
314 1 109 GLU H 1 109 GLU HG2 . . 4.820 4.508 4.436 4.557 . 0 0 "[ . 1 . 2]" 1
315 1 109 GLU H 1 109 GLU HG3 . . 5.140 4.382 4.325 4.454 . 0 0 "[ . 1 . 2]" 1
316 1 109 GLU HG2 1 110 ASN HD21 . . 4.720 3.214 2.193 4.727 0.007 20 0 "[ . 1 . 2]" 1
317 1 109 GLU HA 1 109 GLU HG3 . . 3.840 2.502 2.379 2.849 . 0 0 "[ . 1 . 2]" 1
318 1 109 GLU HA 1 110 ASN HA . . 4.510 4.365 4.363 4.368 . 0 0 "[ . 1 . 2]" 1
319 1 18 ILE HB 1 109 GLU HA . . 4.490 2.154 1.981 2.567 . 0 0 "[ . 1 . 2]" 1
320 1 20 ILE MG 1 109 GLU HA . . 4.590 3.844 3.360 4.342 . 0 0 "[ . 1 . 2]" 1
321 1 18 ILE MD 1 109 GLU HG3 . . 4.860 3.794 3.529 4.043 . 0 0 "[ . 1 . 2]" 1
322 1 18 ILE HG13 1 109 GLU HG3 . . 5.400 5.342 4.958 5.412 0.012 9 0 "[ . 1 . 2]" 1
323 1 18 ILE HB 1 109 GLU HG3 . . 4.160 2.571 2.264 2.838 . 0 0 "[ . 1 . 2]" 1
324 1 109 GLU H 1 110 ASN HB2 . . 5.500 5.487 5.432 5.522 0.022 20 0 "[ . 1 . 2]" 1
325 1 108 PHE HA 1 111 ALA MB . . 3.470 2.199 2.059 2.522 . 0 0 "[ . 1 . 2]" 1
326 1 108 PHE HB2 1 111 ALA MB . . 4.690 4.050 3.807 4.255 . 0 0 "[ . 1 . 2]" 1
327 1 108 PHE HB3 1 111 ALA MB . . 4.690 2.847 2.516 3.209 . 0 0 "[ . 1 . 2]" 1
328 1 20 ILE HB 1 111 ALA MB . . 4.280 3.436 2.855 4.283 0.003 9 0 "[ . 1 . 2]" 1
329 1 20 ILE MG 1 111 ALA MB . . 3.170 2.268 1.873 2.757 . 0 0 "[ . 1 . 2]" 1
330 1 21 PHE HB3 1 112 VAL MG1 . . 3.880 3.027 1.932 3.570 . 0 0 "[ . 1 . 2]" 1
331 1 112 VAL HA 1 112 VAL MG1 . . 3.310 2.261 2.148 2.394 . 0 0 "[ . 1 . 2]" 1
332 1 112 VAL MG1 1 113 PHE H . . 4.320 2.737 2.550 2.954 . 0 0 "[ . 1 . 2]" 1
333 1 112 VAL H 1 112 VAL MG2 . . 4.050 2.394 2.110 2.853 . 0 0 "[ . 1 . 2]" 1
334 1 112 VAL HA 1 112 VAL MG2 . . 3.310 2.459 2.417 2.521 . 0 0 "[ . 1 . 2]" 1
335 1 21 PHE HB3 1 112 VAL MG2 . . 3.880 3.533 2.641 3.886 0.006 17 0 "[ . 1 . 2]" 1
336 1 21 PHE HB3 1 112 VAL HA . . 3.630 3.390 2.570 3.643 0.013 5 0 "[ . 1 . 2]" 1
337 1 112 VAL HA 1 113 PHE H . . 3.250 2.143 2.139 2.150 . 0 0 "[ . 1 . 2]" 1
338 1 112 VAL HA 1 113 PHE HD1 . . 4.400 3.336 3.126 3.583 . 0 0 "[ . 1 . 2]" 1
339 1 114 THR HB 1 115 VAL H . . 4.970 4.251 4.108 4.367 . 0 0 "[ . 1 . 2]" 1
340 1 66 ILE HB 1 114 THR HB . . 3.500 1.975 1.957 2.011 . 0 0 "[ . 1 . 2]" 1
341 1 114 THR HA 1 114 THR MG . . 3.360 2.403 2.301 2.460 . 0 0 "[ . 1 . 2]" 1
342 1 23 LYS HB2 1 114 THR HA . . 3.920 3.244 2.237 3.730 . 0 0 "[ . 1 . 2]" 1
343 1 23 LYS HB3 1 114 THR HA . . 3.660 2.018 1.979 2.252 . 0 0 "[ . 1 . 2]" 1
344 1 114 THR HA 1 115 VAL H . . 3.160 2.153 2.141 2.167 . 0 0 "[ . 1 . 2]" 1
345 1 115 VAL HA 1 116 PRO HD2 . . 3.570 2.044 1.930 2.113 . 0 0 "[ . 1 . 2]" 1
346 1 115 VAL HA 1 116 PRO HD3 . . 3.570 2.419 2.256 2.681 . 0 0 "[ . 1 . 2]" 1
347 1 66 ILE H 1 115 VAL HA . . 4.780 3.166 2.892 3.391 . 0 0 "[ . 1 . 2]" 1
348 1 114 THR MG 1 115 VAL HA . . 3.980 3.775 3.589 3.985 0.005 9 0 "[ . 1 . 2]" 1
349 1 116 PRO HA 1 117 ARG H . . 3.570 3.424 2.701 3.568 . 0 0 "[ . 1 . 2]" 1
350 1 114 THR MG 1 116 PRO HA . . 4.510 3.841 3.597 4.057 . 0 0 "[ . 1 . 2]" 1
351 1 30 PRO HB3 1 31 ALA H . . 4.410 3.701 3.437 4.123 . 0 0 "[ . 1 . 2]" 1
352 1 117 ARG HA 1 117 ARG HD2 . . 5.170 3.519 2.049 4.589 . 0 0 "[ . 1 . 2]" 1
353 1 117 ARG HA 1 117 ARG HD3 . . 5.170 3.832 2.604 5.168 . 0 0 "[ . 1 . 2]" 1
354 1 119 THR HA 1 119 THR MG . . 3.420 2.531 2.024 3.206 . 0 0 "[ . 1 . 2]" 1
355 1 104 VAL HA 1 108 PHE HD1 . . 4.610 3.315 2.117 3.900 . 0 0 "[ . 1 . 2]" 1
356 1 20 ILE HB 1 113 PHE HD1 . . 4.620 2.851 2.423 3.327 . 0 0 "[ . 1 . 2]" 1
357 1 14 ILE MG 1 15 PRO HD2 . . 3.910 1.924 1.900 2.198 . 0 0 "[ . 1 . 2]" 1
358 1 14 ILE MG 1 35 CYS HA . . 3.550 2.066 1.930 2.637 . 0 0 "[ . 1 . 2]" 1
359 1 14 ILE HG12 1 14 ILE MG . . 3.620 2.588 2.143 3.203 . 0 0 "[ . 1 . 2]" 1
360 1 14 ILE MD 1 35 CYS HA . . 4.720 4.155 3.262 4.734 0.014 9 0 "[ . 1 . 2]" 1
361 1 14 ILE HB 1 14 ILE MD . . 3.610 2.572 1.988 3.230 . 0 0 "[ . 1 . 2]" 1
362 1 14 ILE MG 1 15 PRO HD3 . . 3.910 3.301 3.276 3.490 . 0 0 "[ . 1 . 2]" 1
363 1 69 GLU HB3 1 70 PRO HD3 . . 3.990 2.093 2.003 2.425 . 0 0 "[ . 1 . 2]" 1
364 1 14 ILE MG 1 15 PRO HG3 . . 4.400 4.083 4.065 4.207 . 0 0 "[ . 1 . 2]" 1
365 1 14 ILE MG 1 15 PRO HG2 . . 4.400 3.138 3.035 3.208 . 0 0 "[ . 1 . 2]" 1
366 1 14 ILE HB 1 35 CYS HA . . 4.490 3.832 2.927 4.392 . 0 0 "[ . 1 . 2]" 1
367 1 14 ILE HG13 1 14 ILE MG . . 3.620 2.753 2.352 3.190 . 0 0 "[ . 1 . 2]" 1
368 1 66 ILE H 1 66 ILE HG13 . . 4.690 2.718 2.114 3.274 . 0 0 "[ . 1 . 2]" 1
369 1 23 LYS HA 1 28 VAL MG2 . . 4.160 2.495 2.048 3.548 . 0 0 "[ . 1 . 2]" 1
370 1 28 VAL MG2 1 29 VAL H . . 4.250 3.062 2.116 4.177 . 0 0 "[ . 1 . 2]" 1
371 1 23 LYS HA 1 28 VAL MG1 . . 4.160 3.548 2.155 4.278 0.118 11 0 "[ . 1 . 2]" 1
372 1 17 GLN HA 1 34 VAL HA . . 3.890 3.750 3.278 3.910 0.020 3 0 "[ . 1 . 2]" 1
373 1 14 ILE MG 1 17 GLN HA . . 4.740 4.312 4.125 4.508 . 0 0 "[ . 1 . 2]" 1
374 1 103 ARG HA 1 103 ARG HD3 . . 4.370 3.366 2.010 4.370 . 0 0 "[ . 1 . 2]" 1
375 1 117 ARG HA 1 117 ARG HG2 . . 4.210 3.054 2.196 3.830 . 0 0 "[ . 1 . 2]" 1
376 1 117 ARG HA 1 117 ARG HG3 . . 4.210 3.171 2.203 4.209 . 0 0 "[ . 1 . 2]" 1
377 1 117 ARG HA 1 118 ALA MB . . 4.600 3.963 3.819 4.088 . 0 0 "[ . 1 . 2]" 1
378 1 77 GLU HA 1 78 PRO HA . . 4.570 4.387 4.385 4.388 . 0 0 "[ . 1 . 2]" 1
379 1 78 PRO HB2 1 83 TYR H . . 5.090 3.608 3.480 3.829 . 0 0 "[ . 1 . 2]" 1
380 1 93 THR H 1 93 THR HB . . 3.400 3.013 2.924 3.250 . 0 0 "[ . 1 . 2]" 1
381 1 93 THR HB 1 96 SER HB2 . . 3.940 3.518 2.844 3.728 . 0 0 "[ . 1 . 2]" 1
382 1 93 THR HB 1 96 SER H . . 3.930 3.317 3.041 3.409 . 0 0 "[ . 1 . 2]" 1
383 1 73 ARG H 1 73 ARG HG2 . . 4.640 4.369 3.104 4.660 0.020 10 0 "[ . 1 . 2]" 1
384 1 73 ARG HG2 1 74 LYS H . . 5.310 4.747 3.870 5.275 . 0 0 "[ . 1 . 2]" 1
385 1 73 ARG HG3 1 74 LYS H . . 5.310 4.921 4.609 5.314 0.004 9 0 "[ . 1 . 2]" 1
386 1 73 ARG HA 1 73 ARG HG3 . . 3.740 2.684 2.040 3.598 . 0 0 "[ . 1 . 2]" 1
387 1 73 ARG HA 1 73 ARG HG2 . . 3.740 2.912 2.146 3.525 . 0 0 "[ . 1 . 2]" 1
388 1 42 VAL H 1 42 VAL MG2 . . 4.070 2.398 2.262 2.467 . 0 0 "[ . 1 . 2]" 1
389 1 33 ALA HA 1 42 VAL MG2 . . 4.440 2.585 2.023 2.924 . 0 0 "[ . 1 . 2]" 1
390 1 42 VAL HA 1 42 VAL MG2 . . 3.480 2.344 2.290 2.397 . 0 0 "[ . 1 . 2]" 1
391 1 20 ILE MD 1 42 VAL MG2 . . 3.320 3.013 2.626 3.325 0.005 2 0 "[ . 1 . 2]" 1
392 1 69 GLU HG2 1 70 PRO HD3 . . 4.730 4.430 4.243 4.638 . 0 0 "[ . 1 . 2]" 1
393 1 69 GLU HG3 1 70 PRO HD3 . . 4.730 4.606 4.472 4.676 . 0 0 "[ . 1 . 2]" 1
394 1 69 GLU HG2 1 70 PRO HD2 . . 5.330 5.084 4.995 5.177 . 0 0 "[ . 1 . 2]" 1
395 1 69 GLU HG3 1 70 PRO HD2 . . 5.330 4.824 4.681 4.977 . 0 0 "[ . 1 . 2]" 1
396 1 69 GLU HG3 1 95 THR MG . . 4.010 3.638 2.991 4.011 0.001 20 0 "[ . 1 . 2]" 1
397 1 69 GLU HG2 1 95 THR MG . . 4.010 3.733 3.092 4.010 . 0 0 "[ . 1 . 2]" 1
398 1 77 GLU HG2 1 78 PRO HD2 . . 5.220 4.385 2.881 4.786 . 0 0 "[ . 1 . 2]" 1
399 1 77 GLU HG3 1 78 PRO HD2 . . 5.220 4.333 4.046 4.757 . 0 0 "[ . 1 . 2]" 1
400 1 25 MET HA 1 25 MET ME . . 4.220 3.412 2.062 4.219 . 0 0 "[ . 1 . 2]" 1
401 1 81 LYS HA 1 81 LYS HD2 . . 5.500 3.927 2.188 5.117 . 0 0 "[ . 1 . 2]" 1
402 1 81 LYS HA 1 81 LYS HD3 . . 5.500 3.737 2.008 4.890 . 0 0 "[ . 1 . 2]" 1
403 1 67 LEU MD1 1 68 GLU H . . 4.520 2.341 1.962 3.084 . 0 0 "[ . 1 . 2]" 1
404 1 67 LEU HA 1 67 LEU MD1 . . 3.940 1.949 1.925 1.960 . 0 0 "[ . 1 . 2]" 1
405 1 67 LEU MD1 1 114 THR HB . . 5.270 5.313 5.276 5.347 0.077 11 0 "[ . 1 . 2]" 1
406 1 67 LEU HG 1 72 TYR H . . 4.390 3.688 3.019 4.387 . 0 0 "[ . 1 . 2]" 1
407 1 67 LEU H 1 67 LEU HG . . 4.730 4.618 4.529 4.763 0.033 11 0 "[ . 1 . 2]" 1
408 1 67 LEU HG 1 72 TYR HD2 . . 4.330 3.853 3.555 4.293 . 0 0 "[ . 1 . 2]" 1
409 1 67 LEU HG 1 72 TYR HA . . 4.570 4.071 3.533 4.608 0.038 15 0 "[ . 1 . 2]" 1
410 1 67 LEU HG 1 72 TYR HB2 . . 4.210 2.988 2.540 3.516 . 0 0 "[ . 1 . 2]" 1
411 1 20 ILE MG 1 108 PHE HD1 . . 4.380 3.278 2.108 4.388 0.008 8 0 "[ . 1 . 2]" 1
412 1 20 ILE HA 1 20 ILE MG . . 3.530 2.238 2.086 2.414 . 0 0 "[ . 1 . 2]" 1
413 1 20 ILE MG 1 108 PHE HB2 . . 4.560 3.871 2.852 4.536 . 0 0 "[ . 1 . 2]" 1
414 1 18 ILE MD 1 20 ILE MG . . 3.130 2.159 1.836 2.581 . 0 0 "[ . 1 . 2]" 1
415 1 20 ILE MG 1 110 ASN H . . 4.270 3.545 3.207 4.065 . 0 0 "[ . 1 . 2]" 1
416 1 39 VAL HA 1 42 VAL H . . 4.160 3.373 3.277 3.466 . 0 0 "[ . 1 . 2]" 1
417 1 20 ILE MD 1 39 VAL HA . . 3.710 3.109 2.710 3.737 0.027 10 0 "[ . 1 . 2]" 1
418 1 39 VAL HB 1 40 LEU H . . 4.430 2.526 2.102 3.514 . 0 0 "[ . 1 . 2]" 1
419 1 39 VAL MG1 1 40 LEU H . . 5.240 3.419 3.004 3.949 . 0 0 "[ . 1 . 2]" 1
420 1 39 VAL MG2 1 40 LEU H . . 5.240 3.001 1.783 3.703 . 0 0 "[ . 1 . 2]" 1
421 1 83 TYR H 1 83 TYR HD1 . . 5.490 3.589 2.877 4.781 . 0 0 "[ . 1 . 2]" 1
422 1 83 TYR H 1 83 TYR HD2 . . 5.500 5.016 4.624 5.239 . 0 0 "[ . 1 . 2]" 1
423 1 83 TYR HA 1 83 TYR HD1 . . 4.780 2.967 2.506 3.600 . 0 0 "[ . 1 . 2]" 1
424 1 18 ILE MD 1 108 PHE HD1 . . 4.780 3.953 3.222 4.512 . 0 0 "[ . 1 . 2]" 1
425 1 12 ASP H 1 13 ARG H . . 3.720 2.546 2.217 2.754 . 0 0 "[ . 1 . 2]" 1
426 1 14 ILE H 1 15 PRO HD2 . . 4.950 4.769 4.409 4.837 . 0 0 "[ . 1 . 2]" 1
427 1 14 ILE H 1 15 PRO HD3 . . 4.950 4.723 4.002 4.850 . 0 0 "[ . 1 . 2]" 1
428 1 14 ILE H 1 14 ILE HB . . 3.050 2.672 2.533 3.336 0.286 19 0 "[ . 1 . 2]" 1
429 1 14 ILE H 1 14 ILE MG . . 3.930 3.824 3.763 4.089 0.159 19 0 "[ . 1 . 2]" 1
430 1 13 ARG H 1 14 ILE H . . 4.180 3.828 2.262 4.325 0.145 15 0 "[ . 1 . 2]" 1
431 1 15 PRO HA 1 16 GLU H . . 2.800 2.625 2.507 2.673 . 0 0 "[ . 1 . 2]" 1
432 1 15 PRO HB2 1 16 GLU H . . 3.860 2.104 2.005 2.358 . 0 0 "[ . 1 . 2]" 1
433 1 14 ILE MG 1 16 GLU H . . 5.290 4.873 4.539 4.993 . 0 0 "[ . 1 . 2]" 1
434 1 15 PRO HB3 1 16 GLU H . . 3.860 3.223 3.183 3.331 . 0 0 "[ . 1 . 2]" 1
435 1 17 GLN H 1 18 ILE H . . 4.760 4.608 4.565 4.624 . 0 0 "[ . 1 . 2]" 1
436 1 16 GLU HA 1 17 GLN H . . 2.880 2.338 2.331 2.343 . 0 0 "[ . 1 . 2]" 1
437 1 14 ILE MG 1 17 GLN H . . 5.500 5.410 5.009 5.508 0.008 17 0 "[ . 1 . 2]" 1
438 1 18 ILE H 1 33 ALA H . . 4.300 4.137 3.820 4.312 0.012 4 0 "[ . 1 . 2]" 1
439 1 17 GLN HA 1 18 ILE H . . 3.240 2.277 2.169 2.367 . 0 0 "[ . 1 . 2]" 1
440 1 18 ILE H 1 34 VAL HA . . 4.570 4.153 3.555 4.573 0.003 8 0 "[ . 1 . 2]" 1
441 1 18 ILE H 1 18 ILE HG12 . . 4.090 3.211 2.724 3.685 . 0 0 "[ . 1 . 2]" 1
442 1 18 ILE H 1 18 ILE HG13 . . 3.940 2.098 1.942 2.420 . 0 0 "[ . 1 . 2]" 1
443 1 19 ARG H 1 20 ILE H . . 4.810 4.415 4.326 4.514 . 0 0 "[ . 1 . 2]" 1
444 1 18 ILE HA 1 19 ARG H . . 3.110 2.547 2.483 2.555 . 0 0 "[ . 1 . 2]" 1
445 1 19 ARG H 1 109 GLU HG3 . . 4.260 3.292 2.968 3.705 . 0 0 "[ . 1 . 2]" 1
446 1 19 ARG H 1 19 ARG HB3 . . 3.990 2.650 2.485 2.903 . 0 0 "[ . 1 . 2]" 1
447 1 19 ARG H 1 19 ARG HB2 . . 3.990 3.031 2.625 3.265 . 0 0 "[ . 1 . 2]" 1
448 1 18 ILE HB 1 19 ARG H . . 3.950 2.080 2.048 2.208 . 0 0 "[ . 1 . 2]" 1
449 1 18 ILE MG 1 19 ARG H . . 3.760 3.488 3.367 3.661 . 0 0 "[ . 1 . 2]" 1
450 1 18 ILE HG13 1 19 ARG H . . 4.610 3.967 3.717 4.144 . 0 0 "[ . 1 . 2]" 1
451 1 18 ILE HG12 1 19 ARG H . . 5.450 4.606 4.438 4.727 . 0 0 "[ . 1 . 2]" 1
452 1 19 ARG H 1 33 ALA MB . . 5.500 4.432 3.949 4.852 . 0 0 "[ . 1 . 2]" 1
453 1 20 ILE H 1 31 ALA H . . 4.030 3.699 3.317 3.899 . 0 0 "[ . 1 . 2]" 1
454 1 19 ARG HA 1 20 ILE H . . 3.060 2.191 2.152 2.291 . 0 0 "[ . 1 . 2]" 1
455 1 20 ILE H 1 31 ALA HA . . 5.320 4.952 4.739 5.139 . 0 0 "[ . 1 . 2]" 1
456 1 19 ARG HB2 1 20 ILE H . . 4.530 4.134 3.980 4.324 . 0 0 "[ . 1 . 2]" 1
457 1 19 ARG HB3 1 20 ILE H . . 4.530 4.041 3.469 4.189 . 0 0 "[ . 1 . 2]" 1
458 1 19 ARG HG2 1 20 ILE H . . 4.760 2.986 2.344 4.266 . 0 0 "[ . 1 . 2]" 1
459 1 20 ILE H 1 33 ALA MB . . 4.500 3.392 2.911 3.768 . 0 0 "[ . 1 . 2]" 1
460 1 20 ILE H 1 20 ILE HG12 . . 3.870 2.442 2.054 2.807 . 0 0 "[ . 1 . 2]" 1
461 1 20 ILE H 1 20 ILE HG13 . . 3.870 2.470 2.029 3.103 . 0 0 "[ . 1 . 2]" 1
462 1 18 ILE MD 1 20 ILE H . . 4.840 4.044 3.498 4.841 0.001 20 0 "[ . 1 . 2]" 1
463 1 21 PHE H 1 113 PHE HD1 . . 4.090 3.190 2.763 3.380 . 0 0 "[ . 1 . 2]" 1
464 1 20 ILE HA 1 21 PHE H . . 3.450 2.462 2.341 2.530 . 0 0 "[ . 1 . 2]" 1
465 1 21 PHE H 1 112 VAL HA . . 4.170 3.081 2.501 3.590 . 0 0 "[ . 1 . 2]" 1
466 1 21 PHE H 1 21 PHE HB3 . . 3.890 3.546 3.403 3.769 . 0 0 "[ . 1 . 2]" 1
467 1 20 ILE HB 1 21 PHE H . . 3.460 2.251 2.100 2.523 . 0 0 "[ . 1 . 2]" 1
468 1 21 PHE H 1 111 ALA MB . . 4.590 3.995 3.423 4.275 . 0 0 "[ . 1 . 2]" 1
469 1 20 ILE MG 1 21 PHE H . . 3.840 3.527 3.305 3.679 . 0 0 "[ . 1 . 2]" 1
470 1 20 ILE MD 1 21 PHE H . . 4.560 3.849 3.399 4.199 . 0 0 "[ . 1 . 2]" 1
471 1 22 PHE H 1 22 PHE HD1 . . 4.280 3.911 3.595 4.326 0.046 16 0 "[ . 1 . 2]" 1
472 1 21 PHE HA 1 22 PHE H . . 3.160 2.160 2.144 2.198 . 0 0 "[ . 1 . 2]" 1
473 1 22 PHE H 1 30 PRO HA . . 4.570 3.419 2.703 3.834 . 0 0 "[ . 1 . 2]" 1
474 1 22 PHE H 1 29 VAL HB . . 4.910 4.689 3.759 4.991 0.081 9 0 "[ . 1 . 2]" 1
475 1 21 PHE HB3 1 22 PHE H . . 3.870 3.369 3.177 3.549 . 0 0 "[ . 1 . 2]" 1
476 1 23 LYS H 1 115 VAL H . . 4.380 4.254 3.859 4.405 0.025 17 0 "[ . 1 . 2]" 1
477 1 22 PHE HA 1 23 LYS H . . 3.310 2.169 2.151 2.177 . 0 0 "[ . 1 . 2]" 1
478 1 23 LYS H 1 114 THR HA . . 4.000 3.084 2.657 3.315 . 0 0 "[ . 1 . 2]" 1
479 1 23 LYS H 1 23 LYS HB3 . . 4.190 2.823 2.297 3.385 . 0 0 "[ . 1 . 2]" 1
480 1 23 LYS H 1 23 LYS HB2 . . 4.060 2.495 2.206 2.992 . 0 0 "[ . 1 . 2]" 1
481 1 23 LYS H 1 114 THR MG . . 5.110 4.844 4.391 5.105 . 0 0 "[ . 1 . 2]" 1
482 1 23 LYS HA 1 24 THR H . . 3.020 2.169 2.140 2.233 . 0 0 "[ . 1 . 2]" 1
483 1 23 LYS HB3 1 24 THR H . . 4.540 3.903 3.459 4.499 . 0 0 "[ . 1 . 2]" 1
484 1 24 THR HB 1 25 MET H . . 4.240 2.144 1.955 2.280 . 0 0 "[ . 1 . 2]" 1
485 1 25 MET H 1 115 VAL HB . . 4.710 4.539 4.014 4.725 0.015 9 0 "[ . 1 . 2]" 1
486 1 24 THR H 1 27 GLN H . . 3.980 3.358 3.205 4.185 0.205 7 0 "[ . 1 . 2]" 1
487 1 26 LYS H 1 27 GLN H . . 3.440 2.104 1.779 2.245 . 0 0 "[ . 1 . 2]" 1
488 1 27 GLN H 1 27 GLN HG2 . . 3.790 3.124 2.209 3.817 0.027 16 0 "[ . 1 . 2]" 1
489 1 27 GLN H 1 27 GLN HG3 . . 4.200 3.182 2.849 4.374 0.174 16 0 "[ . 1 . 2]" 1
490 1 27 GLN H 1 27 GLN HB2 . . 4.080 3.986 3.653 4.047 . 0 0 "[ . 1 . 2]" 1
491 1 27 GLN H 1 27 GLN HB3 . . 4.080 3.600 2.663 3.738 . 0 0 "[ . 1 . 2]" 1
492 1 24 THR MG 1 27 GLN H . . 4.390 3.789 3.614 4.133 . 0 0 "[ . 1 . 2]" 1
493 1 28 VAL H 1 29 VAL H . . 4.700 4.426 4.160 4.607 . 0 0 "[ . 1 . 2]" 1
494 1 27 GLN HA 1 28 VAL H . . 3.090 2.515 2.154 2.550 . 0 0 "[ . 1 . 2]" 1
495 1 27 GLN HG3 1 28 VAL H . . 4.070 3.756 2.868 3.960 . 0 0 "[ . 1 . 2]" 1
496 1 28 VAL H 1 28 VAL HB . . 3.400 2.848 2.592 3.166 . 0 0 "[ . 1 . 2]" 1
497 1 22 PHE H 1 29 VAL H . . 3.820 3.424 2.810 3.882 0.062 16 0 "[ . 1 . 2]" 1
498 1 23 LYS HA 1 29 VAL H . . 3.910 3.433 2.755 3.790 . 0 0 "[ . 1 . 2]" 1
499 1 29 VAL H 1 29 VAL HB . . 3.620 3.447 2.705 3.696 0.076 18 0 "[ . 1 . 2]" 1
500 1 28 VAL HB 1 29 VAL H . . 4.560 4.117 3.788 4.372 . 0 0 "[ . 1 . 2]" 1
501 1 24 THR MG 1 29 VAL H . . 4.760 3.861 3.022 4.197 . 0 0 "[ . 1 . 2]" 1
502 1 28 VAL MG1 1 29 VAL H . . 4.250 3.320 2.099 4.103 . 0 0 "[ . 1 . 2]" 1
503 1 21 PHE HA 1 31 ALA H . . 4.090 3.048 2.687 3.456 . 0 0 "[ . 1 . 2]" 1
504 1 30 PRO HA 1 31 ALA H . . 3.200 2.260 2.154 2.413 . 0 0 "[ . 1 . 2]" 1
505 1 19 ARG HA 1 31 ALA H . . 5.500 5.163 4.646 5.522 0.022 11 0 "[ . 1 . 2]" 1
506 1 30 PRO HB2 1 31 ALA H . . 4.410 3.051 2.582 3.709 . 0 0 "[ . 1 . 2]" 1
507 1 31 ALA H 1 31 ALA MB . . 3.440 2.634 2.487 2.799 . 0 0 "[ . 1 . 2]" 1
508 1 32 LYS H 1 32 LYS HB3 . . 4.080 2.888 2.357 3.681 . 0 0 "[ . 1 . 2]" 1
509 1 19 ARG HA 1 33 ALA H . . 4.450 2.275 1.946 2.843 . 0 0 "[ . 1 . 2]" 1
510 1 32 LYS HA 1 33 ALA H . . 2.980 2.173 2.139 2.269 . 0 0 "[ . 1 . 2]" 1
511 1 32 LYS HB3 1 33 ALA H . . 4.580 3.947 3.197 4.274 . 0 0 "[ . 1 . 2]" 1
512 1 32 LYS HB2 1 33 ALA H . . 4.580 3.711 2.787 4.409 . 0 0 "[ . 1 . 2]" 1
513 1 33 ALA H 1 33 ALA MB . . 3.200 2.351 2.215 2.523 . 0 0 "[ . 1 . 2]" 1
514 1 18 ILE HG13 1 33 ALA H . . 4.690 4.373 3.895 4.695 0.005 4 0 "[ . 1 . 2]" 1
515 1 33 ALA HA 1 34 VAL H . . 3.180 2.155 2.141 2.243 . 0 0 "[ . 1 . 2]" 1
516 1 34 VAL H 1 34 VAL HB . . 3.370 2.726 2.524 3.630 0.260 14 0 "[ . 1 . 2]" 1
517 1 33 ALA MB 1 34 VAL H . . 3.480 3.190 2.756 3.310 . 0 0 "[ . 1 . 2]" 1
518 1 17 GLN HA 1 35 CYS H . . 4.220 3.491 2.851 4.072 . 0 0 "[ . 1 . 2]" 1
519 1 34 VAL HA 1 35 CYS H . . 3.080 2.265 2.199 2.331 . 0 0 "[ . 1 . 2]" 1
520 1 34 VAL HB 1 35 CYS H . . 4.810 3.771 2.863 4.039 . 0 0 "[ . 1 . 2]" 1
521 1 36 GLY H 1 104 VAL H . . 4.670 4.306 3.311 4.676 0.006 6 0 "[ . 1 . 2]" 1
522 1 35 CYS HA 1 36 GLY H . . 3.290 2.149 2.143 2.192 . 0 0 "[ . 1 . 2]" 1
523 1 36 GLY H 1 104 VAL MG2 . . 4.620 4.349 3.965 4.625 0.005 4 0 "[ . 1 . 2]" 1
524 1 36 GLY H 1 104 VAL MG1 . . 4.620 4.412 3.964 4.629 0.009 8 0 "[ . 1 . 2]" 1
525 1 36 GLY H 1 37 SER H . . 3.440 2.299 2.140 2.585 . 0 0 "[ . 1 . 2]" 1
526 1 37 SER H 1 38 THR H . . 4.530 4.478 4.394 4.611 0.081 15 0 "[ . 1 . 2]" 1
527 1 37 SER H 1 104 VAL H . . 4.480 4.249 3.564 4.492 0.012 19 0 "[ . 1 . 2]" 1
528 1 35 CYS HA 1 37 SER H . . 4.140 3.577 3.416 3.835 . 0 0 "[ . 1 . 2]" 1
529 1 37 SER H 1 104 VAL HB . . 3.910 3.316 2.743 3.920 0.010 15 0 "[ . 1 . 2]" 1
530 1 14 ILE MG 1 37 SER H . . 4.390 4.224 3.788 4.397 0.007 6 0 "[ . 1 . 2]" 1
531 1 38 THR H 1 38 THR HG1 . . 3.760 3.461 2.375 3.822 0.062 8 0 "[ . 1 . 2]" 1
532 1 41 ASP H 1 42 VAL H . . 4.220 2.485 2.480 2.492 . 0 0 "[ . 1 . 2]" 1
533 1 42 VAL H 1 42 VAL HB . . 3.820 2.481 2.421 2.602 . 0 0 "[ . 1 . 2]" 1
534 1 20 ILE MD 1 42 VAL H . . 5.270 5.027 4.401 5.280 0.010 16 0 "[ . 1 . 2]" 1
535 1 43 ALA H 1 45 LYS H . . 4.420 4.246 4.096 4.352 . 0 0 "[ . 1 . 2]" 1
536 1 22 PHE HD1 1 43 ALA H . . 5.500 5.057 4.698 5.516 0.016 10 0 "[ . 1 . 2]" 1
537 1 42 VAL HB 1 43 ALA H . . 3.770 2.580 2.446 2.868 . 0 0 "[ . 1 . 2]" 1
538 1 43 ALA H 1 43 ALA MB . . 3.090 2.107 2.025 2.229 . 0 0 "[ . 1 . 2]" 1
539 1 20 ILE MD 1 43 ALA H . . 5.500 4.918 4.044 5.474 . 0 0 "[ . 1 . 2]" 1
540 1 44 HIS H 1 45 LYS H . . 3.570 2.514 2.465 2.582 . 0 0 "[ . 1 . 2]" 1
541 1 44 HIS H 1 46 ASN H . . 4.450 4.194 3.908 4.453 0.003 10 0 "[ . 1 . 2]" 1
542 1 46 ASN H 1 47 GLY H . . 3.200 2.492 2.450 2.526 . 0 0 "[ . 1 . 2]" 1
543 1 43 ALA HA 1 46 ASN H . . 4.490 3.535 3.177 3.688 . 0 0 "[ . 1 . 2]" 1
544 1 46 ASN H 1 46 ASN HB2 . . 3.720 2.526 2.150 3.606 . 0 0 "[ . 1 . 2]" 1
545 1 46 ASN H 1 46 ASN HB3 . . 3.720 2.836 2.443 3.483 . 0 0 "[ . 1 . 2]" 1
546 1 43 ALA MB 1 46 ASN H . . 4.870 4.770 4.493 4.912 0.042 10 0 "[ . 1 . 2]" 1
547 1 47 GLY H 1 48 VAL H . . 3.360 2.438 2.247 2.655 . 0 0 "[ . 1 . 2]" 1
548 1 44 HIS H 1 47 GLY H . . 4.800 4.565 4.450 4.658 . 0 0 "[ . 1 . 2]" 1
549 1 46 ASN HB2 1 47 GLY H . . 4.890 3.822 3.156 4.134 . 0 0 "[ . 1 . 2]" 1
550 1 46 ASN HB3 1 47 GLY H . . 4.890 3.289 2.811 4.263 . 0 0 "[ . 1 . 2]" 1
551 1 47 GLY H 1 48 VAL HB . . 4.940 4.506 4.355 4.949 0.009 4 0 "[ . 1 . 2]" 1
552 1 46 ASN H 1 48 VAL H . . 4.090 3.950 3.543 4.087 . 0 0 "[ . 1 . 2]" 1
553 1 48 VAL H 1 48 VAL HB . . 3.240 2.601 2.217 2.687 . 0 0 "[ . 1 . 2]" 1
554 1 43 ALA MB 1 48 VAL H . . 4.140 3.895 3.427 4.148 0.008 5 0 "[ . 1 . 2]" 1
555 1 48 VAL H 1 48 VAL MG1 . . 4.030 3.713 2.763 3.767 . 0 0 "[ . 1 . 2]" 1
556 1 48 VAL H 1 48 VAL MG2 . . 4.030 2.196 2.008 3.620 . 0 0 "[ . 1 . 2]" 1
557 1 48 VAL H 1 49 ASP H . . 4.640 4.559 4.349 4.644 0.004 13 0 "[ . 1 . 2]" 1
558 1 48 VAL HA 1 49 ASP H . . 2.900 2.190 2.141 2.330 . 0 0 "[ . 1 . 2]" 1
559 1 49 ASP H 1 49 ASP HB2 . . 3.350 2.627 2.428 2.966 . 0 0 "[ . 1 . 2]" 1
560 1 49 ASP H 1 49 ASP HB3 . . 3.350 2.551 2.361 2.694 . 0 0 "[ . 1 . 2]" 1
561 1 48 VAL HB 1 49 ASP H . . 4.450 4.085 3.790 4.398 . 0 0 "[ . 1 . 2]" 1
562 1 48 VAL MG1 1 49 ASP H . . 4.160 2.483 1.996 3.056 . 0 0 "[ . 1 . 2]" 1
563 1 48 VAL MG2 1 49 ASP H . . 4.160 3.931 2.218 4.163 0.003 6 0 "[ . 1 . 2]" 1
564 1 49 ASP H 1 50 LEU H . . 4.390 3.953 3.714 4.001 . 0 0 "[ . 1 . 2]" 1
565 1 49 ASP HA 1 50 LEU H . . 2.760 2.328 2.303 2.336 . 0 0 "[ . 1 . 2]" 1
566 1 43 ALA MB 1 50 LEU H . . 3.980 2.969 2.555 3.369 . 0 0 "[ . 1 . 2]" 1
567 1 65 VAL H 1 66 ILE H . . 4.970 4.461 4.447 4.464 . 0 0 "[ . 1 . 2]" 1
568 1 66 ILE H 1 114 THR HB . . 4.550 4.067 3.939 4.281 . 0 0 "[ . 1 . 2]" 1
569 1 65 VAL MG1 1 66 ILE H . . 4.840 2.303 1.880 3.808 . 0 0 "[ . 1 . 2]" 1
570 1 66 ILE H 1 66 ILE HG12 . . 4.690 3.893 3.353 4.079 . 0 0 "[ . 1 . 2]" 1
571 1 67 LEU H 1 93 THR HB . . 5.500 5.588 5.573 5.624 0.124 15 0 "[ . 1 . 2]" 1
572 1 67 LEU H 1 114 THR HB . . 4.930 4.671 4.555 4.860 . 0 0 "[ . 1 . 2]" 1
573 1 67 LEU H 1 67 LEU HB3 . . 3.760 2.785 2.677 3.041 . 0 0 "[ . 1 . 2]" 1
574 1 68 GLU H 1 68 GLU HB3 . . 4.090 3.368 3.292 3.597 . 0 0 "[ . 1 . 2]" 1
575 1 67 LEU HB2 1 68 GLU H . . 4.630 3.934 3.862 4.085 . 0 0 "[ . 1 . 2]" 1
576 1 67 LEU HB3 1 68 GLU H . . 4.370 3.479 3.236 3.722 . 0 0 "[ . 1 . 2]" 1
577 1 68 GLU HA 1 69 GLU H . . 3.290 2.219 2.182 2.253 . 0 0 "[ . 1 . 2]" 1
578 1 69 GLU H 1 70 PRO HD3 . . 3.950 3.121 2.990 3.195 . 0 0 "[ . 1 . 2]" 1
579 1 69 GLU H 1 70 PRO HD2 . . 4.080 2.071 1.948 2.148 . 0 0 "[ . 1 . 2]" 1
580 1 69 GLU H 1 69 GLU HB2 . . 3.410 2.072 2.062 2.108 . 0 0 "[ . 1 . 2]" 1
581 1 69 GLU H 1 69 GLU HB3 . . 3.410 3.313 3.183 3.417 0.007 15 0 "[ . 1 . 2]" 1
582 1 69 GLU H 1 95 THR MG . . 4.770 4.612 4.364 4.775 0.005 11 0 "[ . 1 . 2]" 1
583 1 71 LEU H 1 72 TYR H . . 3.320 2.844 2.718 2.907 . 0 0 "[ . 1 . 2]" 1
584 1 70 PRO HD3 1 71 LEU H . . 4.710 3.865 3.837 3.885 . 0 0 "[ . 1 . 2]" 1
585 1 70 PRO HD2 1 71 LEU H . . 4.300 2.732 2.648 2.781 . 0 0 "[ . 1 . 2]" 1
586 1 70 PRO HG2 1 71 LEU H . . 4.000 1.978 1.879 2.335 . 0 0 "[ . 1 . 2]" 1
587 1 68 GLU HB3 1 71 LEU H . . 3.920 2.118 1.941 2.680 . 0 0 "[ . 1 . 2]" 1
588 1 70 PRO HG3 1 71 LEU H . . 4.000 3.588 3.512 3.856 . 0 0 "[ . 1 . 2]" 1
589 1 71 LEU H 1 71 LEU HB2 . . 3.430 2.208 2.069 2.376 . 0 0 "[ . 1 . 2]" 1
590 1 71 LEU H 1 71 LEU HB3 . . 3.430 2.860 2.640 3.113 . 0 0 "[ . 1 . 2]" 1
591 1 71 LEU H 1 71 LEU HG . . 4.780 4.432 4.020 4.551 . 0 0 "[ . 1 . 2]" 1
592 1 71 LEU H 1 71 LEU MD1 . . 4.350 3.980 3.440 4.289 . 0 0 "[ . 1 . 2]" 1
593 1 71 LEU H 1 71 LEU MD2 . . 4.350 4.064 3.493 4.447 0.097 20 0 "[ . 1 . 2]" 1
594 1 72 TYR H 1 72 TYR HB3 . . 3.780 2.548 2.444 2.648 . 0 0 "[ . 1 . 2]" 1
595 1 72 TYR H 1 72 TYR HB2 . . 3.920 2.533 2.419 2.659 . 0 0 "[ . 1 . 2]" 1
596 1 72 TYR H 1 95 THR MG . . 4.720 4.059 3.890 4.932 0.212 15 0 "[ . 1 . 2]" 1
597 1 72 TYR H 1 73 ARG H . . 3.790 2.672 2.547 2.781 . 0 0 "[ . 1 . 2]" 1
598 1 73 ARG H 1 74 LYS H . . 3.520 2.799 2.672 3.024 . 0 0 "[ . 1 . 2]" 1
599 1 72 TYR HD1 1 73 ARG H . . 4.330 3.298 3.013 3.718 . 0 0 "[ . 1 . 2]" 1
600 1 72 TYR HB3 1 73 ARG H . . 3.820 2.400 2.292 2.602 . 0 0 "[ . 1 . 2]" 1
601 1 72 TYR HB2 1 73 ARG H . . 4.220 3.748 3.655 3.837 . 0 0 "[ . 1 . 2]" 1
602 1 73 ARG H 1 73 ARG HB3 . . 3.500 3.028 2.815 3.441 . 0 0 "[ . 1 . 2]" 1
603 1 73 ARG H 1 73 ARG HB2 . . 3.380 2.154 2.069 2.268 . 0 0 "[ . 1 . 2]" 1
604 1 73 ARG H 1 73 ARG HG3 . . 4.640 4.214 3.746 4.485 . 0 0 "[ . 1 . 2]" 1
605 1 73 ARG HB3 1 74 LYS H . . 3.150 2.740 2.087 3.158 0.008 18 0 "[ . 1 . 2]" 1
606 1 74 LYS H 1 74 LYS HD2 . . 5.190 4.765 4.206 5.159 . 0 0 "[ . 1 . 2]" 1
607 1 74 LYS H 1 74 LYS HD3 . . 5.190 4.795 4.317 5.203 0.013 9 0 "[ . 1 . 2]" 1
608 1 75 LEU H 1 75 LEU HB3 . . 4.180 3.276 2.336 3.587 . 0 0 "[ . 1 . 2]" 1
609 1 75 LEU H 1 75 LEU HG . . 4.210 3.754 2.414 4.407 0.197 19 0 "[ . 1 . 2]" 1
610 1 76 GLY H 1 77 GLU H . . 4.340 4.121 3.884 4.338 . 0 0 "[ . 1 . 2]" 1
611 1 75 LEU H 1 76 GLY H . . 3.280 2.694 2.613 2.895 . 0 0 "[ . 1 . 2]" 1
612 1 75 LEU HB2 1 76 GLY H . . 4.340 3.173 2.614 3.719 . 0 0 "[ . 1 . 2]" 1
613 1 75 LEU HB3 1 76 GLY H . . 4.340 3.237 2.212 4.050 . 0 0 "[ . 1 . 2]" 1
614 1 75 LEU MD1 1 76 GLY H . . 5.500 4.534 3.704 5.107 . 0 0 "[ . 1 . 2]" 1
615 1 75 LEU MD2 1 76 GLY H . . 5.500 4.318 4.080 4.704 . 0 0 "[ . 1 . 2]" 1
616 1 76 GLY HA2 1 77 GLU H . . 3.150 2.241 2.152 2.421 . 0 0 "[ . 1 . 2]" 1
617 1 76 GLY HA3 1 77 GLU H . . 3.150 2.980 2.716 3.160 0.010 14 0 "[ . 1 . 2]" 1
618 1 77 GLU H 1 77 GLU HG2 . . 3.830 2.845 2.034 3.833 0.003 17 0 "[ . 1 . 2]" 1
619 1 77 GLU H 1 77 GLU HG3 . . 3.830 2.705 2.115 3.802 . 0 0 "[ . 1 . 2]" 1
620 1 77 GLU H 1 77 GLU HB3 . . 3.800 3.385 3.190 3.565 . 0 0 "[ . 1 . 2]" 1
621 1 79 SER H 1 83 TYR H . . 5.260 4.347 3.909 4.729 . 0 0 "[ . 1 . 2]" 1
622 1 79 SER H 1 82 GLU H . . 4.620 3.718 3.157 4.334 . 0 0 "[ . 1 . 2]" 1
623 1 78 PRO HA 1 79 SER H . . 3.130 2.459 2.290 2.640 . 0 0 "[ . 1 . 2]" 1
624 1 78 PRO HB2 1 79 SER H . . 4.210 2.485 2.067 2.914 . 0 0 "[ . 1 . 2]" 1
625 1 80 ASP H 1 81 LYS H . . 3.550 2.767 2.687 2.817 . 0 0 "[ . 1 . 2]" 1
626 1 79 SER H 1 80 ASP H . . 4.740 4.495 4.364 4.642 . 0 0 "[ . 1 . 2]" 1
627 1 80 ASP H 1 82 GLU H . . 4.950 4.688 4.314 4.892 . 0 0 "[ . 1 . 2]" 1
628 1 79 SER HA 1 80 ASP H . . 2.880 2.592 2.341 2.717 . 0 0 "[ . 1 . 2]" 1
629 1 79 SER HB3 1 80 ASP H . . 3.770 2.570 1.952 3.707 . 0 0 "[ . 1 . 2]" 1
630 1 79 SER HB2 1 80 ASP H . . 3.770 3.196 2.279 3.778 0.008 3 0 "[ . 1 . 2]" 1
631 1 80 ASP H 1 80 ASP HB2 . . 3.630 2.707 2.165 3.591 . 0 0 "[ . 1 . 2]" 1
632 1 80 ASP H 1 80 ASP HB3 . . 3.630 3.152 2.442 3.590 . 0 0 "[ . 1 . 2]" 1
633 1 81 LYS H 1 82 GLU H . . 4.000 2.987 2.853 3.032 . 0 0 "[ . 1 . 2]" 1
634 1 81 LYS H 1 81 LYS HB2 . . 3.700 2.472 2.174 3.587 . 0 0 "[ . 1 . 2]" 1
635 1 81 LYS H 1 81 LYS HB3 . . 3.700 3.123 2.508 3.591 . 0 0 "[ . 1 . 2]" 1
636 1 82 GLU H 1 83 TYR H . . 3.780 2.607 2.512 2.641 . 0 0 "[ . 1 . 2]" 1
637 1 80 ASP HA 1 83 TYR H . . 4.360 3.444 3.295 3.478 . 0 0 "[ . 1 . 2]" 1
638 1 83 TYR H 1 83 TYR HB3 . . 3.550 3.111 2.646 3.381 . 0 0 "[ . 1 . 2]" 1
639 1 83 TYR H 1 83 TYR HB2 . . 3.550 2.198 2.071 2.416 . 0 0 "[ . 1 . 2]" 1
640 1 83 TYR H 1 84 ASP H . . 3.680 2.832 2.778 2.899 . 0 0 "[ . 1 . 2]" 1
641 1 84 ASP H 1 85 LEU H . . 3.950 2.616 2.556 2.682 . 0 0 "[ . 1 . 2]" 1
642 1 81 LYS HA 1 84 ASP H . . 4.270 3.950 3.843 4.123 . 0 0 "[ . 1 . 2]" 1
643 1 83 TYR HB3 1 84 ASP H . . 3.920 2.558 2.231 2.751 . 0 0 "[ . 1 . 2]" 1
644 1 83 TYR HB2 1 84 ASP H . . 3.920 3.126 2.784 3.674 . 0 0 "[ . 1 . 2]" 1
645 1 84 ASP H 1 84 ASP HB2 . . 3.600 2.204 2.173 2.225 . 0 0 "[ . 1 . 2]" 1
646 1 84 ASP H 1 84 ASP HB3 . . 3.600 2.937 2.907 2.970 . 0 0 "[ . 1 . 2]" 1
647 1 85 LEU H 1 86 ILE H . . 4.600 2.806 2.731 2.886 . 0 0 "[ . 1 . 2]" 1
648 1 86 ILE H 1 87 ASP H . . 4.070 2.533 2.476 2.655 . 0 0 "[ . 1 . 2]" 1
649 1 87 ASP H 1 88 GLN H . . 4.010 2.653 2.612 2.699 . 0 0 "[ . 1 . 2]" 1
650 1 86 ILE HB 1 87 ASP H . . 3.950 2.629 2.300 2.783 . 0 0 "[ . 1 . 2]" 1
651 1 87 ASP HB3 1 88 GLN H . . 4.420 3.173 3.009 3.676 . 0 0 "[ . 1 . 2]" 1
652 1 88 GLN H 1 88 GLN HB2 . . 3.870 2.663 2.143 3.564 . 0 0 "[ . 1 . 2]" 1
653 1 88 GLN H 1 88 GLN HB3 . . 3.870 3.077 2.179 3.553 . 0 0 "[ . 1 . 2]" 1
654 1 88 GLN H 1 89 ALA H . . 3.330 2.443 2.348 2.532 . 0 0 "[ . 1 . 2]" 1
655 1 88 GLN HB2 1 89 ALA H . . 5.150 3.532 3.050 4.325 . 0 0 "[ . 1 . 2]" 1
656 1 88 GLN HB3 1 89 ALA H . . 5.150 3.711 3.016 4.050 . 0 0 "[ . 1 . 2]" 1
657 1 89 ALA MB 1 90 PHE H . . 3.680 2.676 2.374 3.073 . 0 0 "[ . 1 . 2]" 1
658 1 90 PHE H 1 90 PHE HB3 . . 3.660 3.120 2.432 3.629 . 0 0 "[ . 1 . 2]" 1
659 1 90 PHE H 1 90 PHE HB2 . . 3.660 2.549 2.181 3.596 . 0 0 "[ . 1 . 2]" 1
660 1 89 ALA HA 1 90 PHE H . . 3.170 2.301 2.163 2.410 . 0 0 "[ . 1 . 2]" 1
661 1 90 PHE H 1 92 ALA H . . 4.930 4.799 4.495 4.939 0.009 2 0 "[ . 1 . 2]" 1
662 1 89 ALA H 1 90 PHE H . . 4.840 4.592 4.482 4.630 . 0 0 "[ . 1 . 2]" 1
663 1 90 PHE HA 1 91 GLY H . . 3.070 2.148 2.143 2.165 . 0 0 "[ . 1 . 2]" 1
664 1 90 PHE HB2 1 91 GLY H . . 4.600 4.228 3.242 4.495 . 0 0 "[ . 1 . 2]" 1
665 1 90 PHE HB3 1 91 GLY H . . 4.600 3.825 3.233 4.326 . 0 0 "[ . 1 . 2]" 1
666 1 91 GLY H 1 92 ALA MB . . 4.660 4.424 4.343 4.474 . 0 0 "[ . 1 . 2]" 1
667 1 91 GLY H 1 92 ALA H . . 3.500 2.863 2.833 2.888 . 0 0 "[ . 1 . 2]" 1
668 1 92 ALA H 1 92 ALA MB . . 2.910 2.344 2.249 2.442 . 0 0 "[ . 1 . 2]" 1
669 1 89 ALA MB 1 92 ALA H . . 4.270 3.669 3.385 3.872 . 0 0 "[ . 1 . 2]" 1
670 1 93 THR H 1 95 THR H . . 5.300 4.828 4.700 5.074 . 0 0 "[ . 1 . 2]" 1
671 1 95 THR H 1 97 ARG H . . 5.500 4.322 4.295 4.357 . 0 0 "[ . 1 . 2]" 1
672 1 94 GLY H 1 95 THR H . . 4.130 2.750 2.745 2.794 . 0 0 "[ . 1 . 2]" 1
673 1 95 THR H 1 96 SER H . . 3.220 2.603 2.594 2.613 . 0 0 "[ . 1 . 2]" 1
674 1 95 THR H 1 96 SER HB3 . . 5.330 4.971 4.802 5.236 . 0 0 "[ . 1 . 2]" 1
675 1 86 ILE MG 1 95 THR H . . 4.820 4.637 4.246 4.858 0.038 15 0 "[ . 1 . 2]" 1
676 1 95 THR H 1 95 THR MG . . 3.730 2.201 1.845 2.314 . 0 0 "[ . 1 . 2]" 1
677 1 96 SER H 1 97 ARG H . . 4.150 2.293 2.264 2.345 . 0 0 "[ . 1 . 2]" 1
678 1 96 SER H 1 96 SER HB2 . . 3.870 2.637 2.440 2.778 . 0 0 "[ . 1 . 2]" 1
679 1 96 SER H 1 96 SER HB3 . . 3.550 2.607 2.464 2.833 . 0 0 "[ . 1 . 2]" 1
680 1 102 LEU HB2 1 103 ARG H . . 5.030 4.237 2.092 4.592 . 0 0 "[ . 1 . 2]" 1
681 1 103 ARG H 1 103 ARG HB2 . . 3.740 2.670 2.187 3.588 . 0 0 "[ . 1 . 2]" 1
682 1 103 ARG H 1 103 ARG HB3 . . 3.740 3.387 2.566 3.729 . 0 0 "[ . 1 . 2]" 1
683 1 102 LEU HB3 1 103 ARG H . . 5.030 3.767 2.373 4.644 . 0 0 "[ . 1 . 2]" 1
684 1 103 ARG HA 1 104 VAL H . . 3.160 2.314 2.151 2.482 . 0 0 "[ . 1 . 2]" 1
685 1 104 VAL H 1 104 VAL HB . . 3.530 2.555 2.485 2.654 . 0 0 "[ . 1 . 2]" 1
686 1 103 ARG HB3 1 104 VAL H . . 4.820 3.046 2.277 4.082 . 0 0 "[ . 1 . 2]" 1
687 1 105 ASP H 1 108 PHE H . . 4.450 3.355 3.071 3.639 . 0 0 "[ . 1 . 2]" 1
688 1 104 VAL H 1 105 ASP H . . 4.950 4.447 4.335 4.568 . 0 0 "[ . 1 . 2]" 1
689 1 105 ASP H 1 108 PHE HD1 . . 4.080 3.761 1.943 4.180 0.100 13 0 "[ . 1 . 2]" 1
690 1 105 ASP H 1 109 GLU H . . 5.500 5.368 5.013 5.511 0.011 8 0 "[ . 1 . 2]" 1
691 1 104 VAL HB 1 105 ASP H . . 4.270 4.189 3.964 4.298 0.028 1 0 "[ . 1 . 2]" 1
692 1 104 VAL HA 1 105 ASP H . . 3.160 2.153 2.139 2.226 . 0 0 "[ . 1 . 2]" 1
693 1 104 VAL MG2 1 105 ASP H . . 4.510 4.061 3.885 4.199 . 0 0 "[ . 1 . 2]" 1
694 1 18 ILE MD 1 105 ASP H . . 4.200 3.568 3.016 4.200 0.000 1 0 "[ . 1 . 2]" 1
695 1 105 ASP HB2 1 106 LYS H . . 3.960 3.409 2.270 3.942 . 0 0 "[ . 1 . 2]" 1
696 1 105 ASP HB3 1 106 LYS H . . 3.960 2.748 2.068 3.687 . 0 0 "[ . 1 . 2]" 1
697 1 106 LYS H 1 107 SER H . . 3.770 2.713 2.655 2.778 . 0 0 "[ . 1 . 2]" 1
698 1 107 SER H 1 109 GLU H . . 4.950 4.135 3.995 4.308 . 0 0 "[ . 1 . 2]" 1
699 1 107 SER H 1 108 PHE H . . 3.730 2.604 2.580 2.646 . 0 0 "[ . 1 . 2]" 1
700 1 108 PHE H 1 108 PHE HD2 . . 3.700 2.794 1.967 3.727 0.027 14 0 "[ . 1 . 2]" 1
701 1 108 PHE H 1 109 GLU H . . 3.440 2.537 2.484 2.634 . 0 0 "[ . 1 . 2]" 1
702 1 108 PHE H 1 108 PHE HB2 . . 3.850 2.276 2.138 2.526 . 0 0 "[ . 1 . 2]" 1
703 1 108 PHE H 1 108 PHE HB3 . . 3.850 3.520 3.339 3.650 . 0 0 "[ . 1 . 2]" 1
704 1 18 ILE MD 1 108 PHE H . . 4.150 3.457 2.887 4.118 . 0 0 "[ . 1 . 2]" 1
705 1 109 GLU H 1 109 GLU HB2 . . 3.670 2.422 2.354 2.500 . 0 0 "[ . 1 . 2]" 1
706 1 109 GLU H 1 110 ASN H . . 4.730 4.516 4.416 4.543 . 0 0 "[ . 1 . 2]" 1
707 1 20 ILE HA 1 110 ASN H . . 4.770 3.422 3.178 3.815 . 0 0 "[ . 1 . 2]" 1
708 1 109 GLU HA 1 110 ASN H . . 3.370 2.144 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
709 1 109 GLU HG2 1 110 ASN H . . 4.320 3.228 2.751 3.804 . 0 0 "[ . 1 . 2]" 1
710 1 109 GLU HG3 1 110 ASN H . . 4.610 3.292 3.031 3.746 . 0 0 "[ . 1 . 2]" 1
711 1 18 ILE MG 1 110 ASN H . . 5.020 4.490 4.228 4.819 . 0 0 "[ . 1 . 2]" 1
712 1 18 ILE MD 1 110 ASN H . . 4.850 2.924 2.295 3.426 . 0 0 "[ . 1 . 2]" 1
713 1 110 ASN H 1 111 ALA H . . 3.480 2.642 2.596 2.667 . 0 0 "[ . 1 . 2]" 1
714 1 20 ILE HA 1 111 ALA H . . 4.370 2.982 2.856 3.185 . 0 0 "[ . 1 . 2]" 1
715 1 109 GLU HA 1 111 ALA H . . 4.040 3.522 3.464 3.605 . 0 0 "[ . 1 . 2]" 1
716 1 20 ILE HB 1 111 ALA H . . 4.790 4.289 3.876 4.810 0.020 16 0 "[ . 1 . 2]" 1
717 1 111 ALA H 1 111 ALA MB . . 2.840 2.211 2.123 2.303 . 0 0 "[ . 1 . 2]" 1
718 1 20 ILE MG 1 111 ALA H . . 3.660 2.667 2.143 3.112 . 0 0 "[ . 1 . 2]" 1
719 1 18 ILE MD 1 111 ALA H . . 4.590 3.546 3.196 3.996 . 0 0 "[ . 1 . 2]" 1
720 1 111 ALA H 1 112 VAL H . . 4.720 4.590 4.517 4.636 . 0 0 "[ . 1 . 2]" 1
721 1 112 VAL H 1 113 PHE H . . 4.690 4.350 4.210 4.455 . 0 0 "[ . 1 . 2]" 1
722 1 111 ALA HA 1 112 VAL H . . 2.990 2.229 2.149 2.422 . 0 0 "[ . 1 . 2]" 1
723 1 68 GLU HB3 1 112 VAL H . . 5.190 4.075 3.746 4.596 . 0 0 "[ . 1 . 2]" 1
724 1 112 VAL H 1 112 VAL HB . . 3.470 2.679 2.593 2.902 . 0 0 "[ . 1 . 2]" 1
725 1 111 ALA MB 1 112 VAL H . . 3.440 2.835 2.331 3.145 . 0 0 "[ . 1 . 2]" 1
726 1 112 VAL H 1 112 VAL MG1 . . 4.050 3.853 3.797 3.961 . 0 0 "[ . 1 . 2]" 1
727 1 113 PHE H 1 113 PHE HD1 . . 4.140 2.389 2.009 2.653 . 0 0 "[ . 1 . 2]" 1
728 1 113 PHE H 1 113 PHE HB2 . . 4.140 2.723 2.418 3.815 . 0 0 "[ . 1 . 2]" 1
729 1 113 PHE H 1 113 PHE HB3 . . 4.140 3.604 2.985 3.745 . 0 0 "[ . 1 . 2]" 1
730 1 112 VAL MG2 1 113 PHE H . . 4.320 4.185 4.131 4.264 . 0 0 "[ . 1 . 2]" 1
731 1 66 ILE H 1 114 THR H . . 4.620 4.463 4.254 4.567 . 0 0 "[ . 1 . 2]" 1
732 1 114 THR H 1 115 VAL H . . 5.070 4.467 4.395 4.526 . 0 0 "[ . 1 . 2]" 1
733 1 113 PHE HA 1 114 THR H . . 3.130 2.183 2.147 2.218 . 0 0 "[ . 1 . 2]" 1
734 1 114 THR H 1 114 THR HB . . 3.650 2.454 2.403 2.577 . 0 0 "[ . 1 . 2]" 1
735 1 66 ILE HB 1 114 THR H . . 4.130 3.585 3.346 3.708 . 0 0 "[ . 1 . 2]" 1
736 1 114 THR H 1 114 THR MG . . 4.590 3.771 3.744 3.825 . 0 0 "[ . 1 . 2]" 1
737 1 115 VAL H 1 115 VAL HB . . 3.680 2.604 2.516 2.719 . 0 0 "[ . 1 . 2]" 1
738 1 23 LYS HB3 1 115 VAL H . . 4.490 3.632 3.240 3.858 . 0 0 "[ . 1 . 2]" 1
739 1 24 THR MG 1 115 VAL H . . 4.520 4.002 3.237 4.470 . 0 0 "[ . 1 . 2]" 1
740 1 114 THR MG 1 115 VAL H . . 3.530 2.629 2.309 2.822 . 0 0 "[ . 1 . 2]" 1
741 1 116 PRO HB2 1 117 ARG H . . 4.100 2.961 1.942 3.274 . 0 0 "[ . 1 . 2]" 1
742 1 116 PRO HB3 1 117 ARG H . . 4.100 3.899 3.160 4.106 0.006 2 0 "[ . 1 . 2]" 1
743 1 117 ARG H 1 117 ARG HG2 . . 5.430 3.921 2.407 4.852 . 0 0 "[ . 1 . 2]" 1
744 1 117 ARG H 1 117 ARG HG3 . . 5.430 3.882 2.338 4.833 . 0 0 "[ . 1 . 2]" 1
745 1 117 ARG H 1 117 ARG HD2 . . 5.500 4.591 2.690 5.443 . 0 0 "[ . 1 . 2]" 1
746 1 117 ARG H 1 117 ARG HD3 . . 5.500 4.801 2.523 5.499 . 0 0 "[ . 1 . 2]" 1
747 1 117 ARG HA 1 118 ALA H . . 3.250 2.239 2.140 2.450 . 0 0 "[ . 1 . 2]" 1
748 1 117 ARG HB2 1 118 ALA H . . 4.750 4.059 3.033 4.513 . 0 0 "[ . 1 . 2]" 1
749 1 117 ARG HB3 1 118 ALA H . . 4.750 3.553 2.397 4.408 . 0 0 "[ . 1 . 2]" 1
750 1 117 ARG HG2 1 118 ALA H . . 5.500 4.114 2.272 5.309 . 0 0 "[ . 1 . 2]" 1
751 1 117 ARG HG3 1 118 ALA H . . 5.500 4.075 2.130 5.232 . 0 0 "[ . 1 . 2]" 1
752 1 118 ALA H 1 118 ALA MB . . 3.230 2.451 2.025 2.891 . 0 0 "[ . 1 . 2]" 1
753 1 119 THR H 1 119 THR HB . . 4.160 3.288 2.573 3.949 . 0 0 "[ . 1 . 2]" 1
754 1 118 ALA MB 1 119 THR H . . 3.650 2.309 2.011 3.464 . 0 0 "[ . 1 . 2]" 1
755 1 119 THR HB 1 120 LYS H . . 4.580 3.451 1.948 4.510 . 0 0 "[ . 1 . 2]" 1
756 1 119 THR MG 1 120 LYS H . . 4.900 3.355 1.966 4.294 . 0 0 "[ . 1 . 2]" 1
757 1 123 ALA H 1 123 ALA MB . . 3.370 2.527 2.037 2.887 . 0 0 "[ . 1 . 2]" 1
758 1 123 ALA HA 1 124 VAL H . . 3.120 2.386 2.141 2.862 . 0 0 "[ . 1 . 2]" 1
759 1 124 VAL H 1 124 VAL HB . . 3.830 3.211 2.440 3.827 . 0 0 "[ . 1 . 2]" 1
760 1 123 ALA MB 1 124 VAL H . . 3.940 2.969 2.112 3.713 . 0 0 "[ . 1 . 2]" 1
761 1 124 VAL HB 1 125 ASP H . . 4.100 3.383 1.957 4.097 . 0 0 "[ . 1 . 2]" 1
762 1 93 THR H 1 96 SER HB3 . . 4.590 3.428 2.519 3.901 . 0 0 "[ . 1 . 2]" 1
763 1 92 ALA MB 1 93 THR H . . 4.040 3.070 2.639 3.306 . 0 0 "[ . 1 . 2]" 1
764 1 17 GLN HB2 1 17 GLN HE22 . . 5.500 4.093 3.309 4.774 . 0 0 "[ . 1 . 2]" 1
765 1 17 GLN HB3 1 17 GLN HE22 . . 5.500 4.408 3.512 4.819 . 0 0 "[ . 1 . 2]" 1
766 1 110 ASN HB3 1 110 ASN HD22 . . 4.050 3.825 3.580 3.974 . 0 0 "[ . 1 . 2]" 1
767 1 109 GLU HG2 1 110 ASN HD22 . . 4.720 4.117 3.387 4.723 0.003 15 0 "[ . 1 . 2]" 1
768 1 67 LEU H 1 67 LEU MD2 . . 4.930 4.541 4.468 4.572 . 0 0 "[ . 1 . 2]" 1
769 1 67 LEU H 1 67 LEU MD1 . . 5.170 4.156 3.889 4.245 . 0 0 "[ . 1 . 2]" 1
770 1 38 THR HA 1 40 LEU H . . 4.640 4.638 4.372 4.760 0.120 10 0 "[ . 1 . 2]" 1
771 1 14 ILE H 1 14 ILE QG . . 3.360 2.529 1.971 3.431 0.071 4 0 "[ . 1 . 2]" 1
772 1 14 ILE HB 1 15 PRO QD . . 4.420 3.867 3.743 4.025 . 0 0 "[ . 1 . 2]" 1
773 1 14 ILE HB 1 36 GLY QA . . 4.550 4.068 3.356 4.581 0.031 3 0 "[ . 1 . 2]" 1
774 1 14 ILE MG 1 15 PRO QD . . 3.430 1.911 1.888 2.176 . 0 0 "[ . 1 . 2]" 1
775 1 14 ILE MG 1 36 GLY QA . . 4.040 3.513 2.717 3.988 . 0 0 "[ . 1 . 2]" 1
776 1 14 ILE QG 1 36 GLY QA . . 3.850 2.991 2.212 3.851 0.001 11 0 "[ . 1 . 2]" 1
777 1 14 ILE MD 1 15 PRO QD . . 4.900 3.685 1.870 4.600 . 0 0 "[ . 1 . 2]" 1
778 1 14 ILE MD 1 36 GLY QA . . 3.980 2.709 1.870 3.984 0.004 19 0 "[ . 1 . 2]" 1
779 1 15 PRO QB 1 16 GLU H . . 3.270 2.078 1.985 2.312 . 0 0 "[ . 1 . 2]" 1
780 1 15 PRO QB 1 106 LYS QB . . 3.220 2.940 2.306 3.231 0.011 3 0 "[ . 1 . 2]" 1
781 1 15 PRO QD 1 106 LYS QB . . 4.550 4.429 3.899 4.560 0.010 3 0 "[ . 1 . 2]" 1
782 1 16 GLU H 1 16 GLU QB . . 3.020 2.347 2.147 2.623 . 0 0 "[ . 1 . 2]" 1
783 1 16 GLU HA 1 17 GLN QG . . 4.400 3.739 3.440 4.156 . 0 0 "[ . 1 . 2]" 1
784 1 16 GLU QB 1 17 GLN H . . 3.610 2.753 2.530 3.347 . 0 0 "[ . 1 . 2]" 1
785 1 17 GLN H 1 17 GLN QB . . 3.200 2.616 2.413 2.717 . 0 0 "[ . 1 . 2]" 1
786 1 17 GLN H 1 17 GLN QG . . 3.730 2.105 1.919 2.324 . 0 0 "[ . 1 . 2]" 1
787 1 17 GLN H 1 34 VAL QG . . 5.440 5.185 4.460 5.437 . 0 0 "[ . 1 . 2]" 1
788 1 17 GLN HA 1 34 VAL QG . . 4.770 4.521 4.036 4.727 . 0 0 "[ . 1 . 2]" 1
789 1 17 GLN QB 1 18 ILE H . . 3.830 2.734 2.487 3.067 . 0 0 "[ . 1 . 2]" 1
790 1 17 GLN QB 1 33 ALA H . . 4.800 4.622 4.128 4.803 0.003 5 0 "[ . 1 . 2]" 1
791 1 17 GLN QB 1 34 VAL HA . . 4.280 2.276 1.908 2.946 . 0 0 "[ . 1 . 2]" 1
792 1 17 GLN QB 1 35 CYS H . . 4.210 2.782 1.924 4.040 . 0 0 "[ . 1 . 2]" 1
793 1 17 GLN QG 1 18 ILE H . . 5.090 4.153 3.841 4.409 . 0 0 "[ . 1 . 2]" 1
794 1 17 GLN QG 1 34 VAL HA . . 4.100 3.270 2.097 4.105 0.005 9 0 "[ . 1 . 2]" 1
795 1 17 GLN QG 1 34 VAL QG . . 3.760 3.078 2.161 3.761 0.001 14 0 "[ . 1 . 2]" 1
796 1 17 GLN QE 1 34 VAL QG . . 3.890 2.738 2.089 3.692 . 0 0 "[ . 1 . 2]" 1
797 1 18 ILE MG 1 106 LYS QB . . 4.290 3.736 2.957 4.066 . 0 0 "[ . 1 . 2]" 1
798 1 18 ILE MG 1 108 PHE QB . . 5.330 4.516 4.118 5.031 . 0 0 "[ . 1 . 2]" 1
799 1 18 ILE MG 1 109 GLU QB . . 3.960 2.205 1.899 2.788 . 0 0 "[ . 1 . 2]" 1
800 1 18 ILE HG12 1 104 VAL QG . . 4.710 2.727 2.182 3.389 . 0 0 "[ . 1 . 2]" 1
801 1 18 ILE HG13 1 104 VAL QG . . 4.630 2.384 1.897 2.723 . 0 0 "[ . 1 . 2]" 1
802 1 18 ILE MD 1 108 PHE QB . . 3.420 2.131 1.927 2.467 . 0 0 "[ . 1 . 2]" 1
803 1 18 ILE MD 1 109 GLU QB . . 3.840 3.377 2.617 3.795 . 0 0 "[ . 1 . 2]" 1
804 1 19 ARG H 1 19 ARG QB . . 3.380 2.476 2.392 2.537 . 0 0 "[ . 1 . 2]" 1
805 1 19 ARG H 1 19 ARG QG . . 5.050 4.056 3.944 4.184 . 0 0 "[ . 1 . 2]" 1
806 1 19 ARG QB 1 20 ILE H . . 3.920 3.631 3.302 3.744 . 0 0 "[ . 1 . 2]" 1
807 1 19 ARG QG 1 20 ILE H . . 3.910 2.502 2.302 2.741 . 0 0 "[ . 1 . 2]" 1
808 1 19 ARG QG 1 30 PRO QB . . 4.000 3.803 3.411 4.016 0.016 18 0 "[ . 1 . 2]" 1
809 1 19 ARG QG 1 31 ALA H . . 4.670 3.068 2.553 3.471 . 0 0 "[ . 1 . 2]" 1
810 1 19 ARG QD 1 30 PRO QB . . 3.900 3.228 2.525 3.892 . 0 0 "[ . 1 . 2]" 1
811 1 20 ILE H 1 20 ILE QG . . 3.360 2.108 1.982 2.258 . 0 0 "[ . 1 . 2]" 1
812 1 20 ILE QG 1 20 ILE MG . . 3.270 2.137 1.953 2.337 . 0 0 "[ . 1 . 2]" 1
813 1 20 ILE MG 1 108 PHE QB . . 3.970 2.636 2.145 3.291 . 0 0 "[ . 1 . 2]" 1
814 1 20 ILE QG 1 31 ALA H . . 4.300 3.581 3.189 3.844 . 0 0 "[ . 1 . 2]" 1
815 1 20 ILE QG 1 31 ALA MB . . 3.620 2.035 1.748 2.888 . 0 0 "[ . 1 . 2]" 1
816 1 20 ILE QG 1 33 ALA MB . . 3.730 2.495 2.012 3.150 . 0 0 "[ . 1 . 2]" 1
817 1 20 ILE MD 1 42 VAL QG . . 2.890 2.500 1.833 2.893 0.003 2 0 "[ . 1 . 2]" 1
818 1 21 PHE HA 1 28 VAL QG . . 4.560 3.912 3.291 4.529 . 0 0 "[ . 1 . 2]" 1
819 1 21 PHE HB2 1 28 VAL QG . . 4.860 3.999 3.324 4.697 . 0 0 "[ . 1 . 2]" 1
820 1 21 PHE HB3 1 28 VAL QG . . 3.350 2.675 1.975 3.364 0.014 9 0 "[ . 1 . 2]" 1
821 1 21 PHE HB3 1 112 VAL QG . . 3.400 2.851 1.887 3.300 . 0 0 "[ . 1 . 2]" 1
822 1 22 PHE H 1 22 PHE QB . . 3.450 2.248 2.196 2.391 . 0 0 "[ . 1 . 2]" 1
823 1 22 PHE H 1 28 VAL QG . . 4.470 3.324 2.772 4.000 . 0 0 "[ . 1 . 2]" 1
824 1 22 PHE H 1 29 VAL QG . . 3.910 3.565 3.215 4.042 0.132 11 0 "[ . 1 . 2]" 1
825 1 22 PHE HA 1 29 VAL QG . . 5.440 4.666 4.348 5.492 0.052 11 0 "[ . 1 . 2]" 1
826 1 22 PHE HA 1 115 VAL QG . . 5.440 4.446 4.053 4.778 . 0 0 "[ . 1 . 2]" 1
827 1 22 PHE QB 1 23 LYS H . . 4.270 3.689 3.599 3.821 . 0 0 "[ . 1 . 2]" 1
828 1 22 PHE QB 1 24 THR MG . . 3.850 3.253 2.841 3.745 . 0 0 "[ . 1 . 2]" 1
829 1 22 PHE QB 1 29 VAL H . . 4.630 3.329 2.987 3.912 . 0 0 "[ . 1 . 2]" 1
830 1 22 PHE QB 1 29 VAL HB . . 4.200 3.816 2.527 4.248 0.048 10 0 "[ . 1 . 2]" 1
831 1 22 PHE QB 1 29 VAL QG . . 4.500 2.425 1.937 3.398 . 0 0 "[ . 1 . 2]" 1
832 1 22 PHE QB 1 48 VAL QG . . 3.640 2.057 1.711 2.683 . 0 0 "[ . 1 . 2]" 1
833 1 22 PHE QB 1 115 VAL QG . . 5.280 4.295 3.544 4.989 . 0 0 "[ . 1 . 2]" 1
834 1 22 PHE HD1 1 42 VAL QG . . 3.770 3.289 2.800 3.593 . 0 0 "[ . 1 . 2]" 1
835 1 22 PHE HD1 1 48 VAL QG . . 3.510 2.673 2.176 3.153 . 0 0 "[ . 1 . 2]" 1
836 1 22 PHE HE1 1 42 VAL QG . . 3.550 2.373 1.974 3.448 . 0 0 "[ . 1 . 2]" 1
837 1 22 PHE HE1 1 48 VAL QG . . 4.460 3.848 3.234 4.436 . 0 0 "[ . 1 . 2]" 1
838 1 22 PHE HE2 1 48 VAL QG . . 5.440 4.176 2.744 5.460 0.020 10 0 "[ . 1 . 2]" 1
839 1 22 PHE HE2 1 115 VAL QG . . 4.760 3.469 2.101 4.497 . 0 0 "[ . 1 . 2]" 1
840 1 22 PHE HD2 1 48 VAL QG . . 5.130 3.351 2.518 4.642 . 0 0 "[ . 1 . 2]" 1
841 1 22 PHE HD2 1 115 VAL QG . . 3.900 3.079 2.605 3.522 . 0 0 "[ . 1 . 2]" 1
842 1 23 LYS H 1 28 VAL QG . . 5.440 3.514 3.076 4.352 . 0 0 "[ . 1 . 2]" 1
843 1 23 LYS H 1 112 VAL QG . . 4.370 3.525 3.295 3.757 . 0 0 "[ . 1 . 2]" 1
844 1 23 LYS H 1 115 VAL QG . . 5.310 4.201 3.931 4.407 . 0 0 "[ . 1 . 2]" 1
845 1 23 LYS HA 1 23 LYS QG . . 3.490 2.335 2.023 3.144 . 0 0 "[ . 1 . 2]" 1
846 1 23 LYS HA 1 28 VAL QG . . 3.500 2.321 2.025 2.793 . 0 0 "[ . 1 . 2]" 1
847 1 23 LYS HB2 1 28 VAL QG . . 4.410 2.798 2.222 3.933 . 0 0 "[ . 1 . 2]" 1
848 1 23 LYS HB2 1 112 VAL QG . . 3.360 2.587 2.234 2.948 . 0 0 "[ . 1 . 2]" 1
849 1 23 LYS HB3 1 28 VAL QG . . 5.000 3.829 3.407 4.307 . 0 0 "[ . 1 . 2]" 1
850 1 23 LYS HB3 1 112 VAL QG . . 4.040 3.402 2.818 4.045 0.005 7 0 "[ . 1 . 2]" 1
851 1 23 LYS QG 1 24 THR H . . 3.700 3.001 2.196 3.723 0.023 11 0 "[ . 1 . 2]" 1
852 1 23 LYS QG 1 28 VAL QG . . 3.650 2.458 1.688 3.363 . 0 0 "[ . 1 . 2]" 1
853 1 23 LYS QG 1 114 THR HA . . 4.880 3.850 2.510 4.231 . 0 0 "[ . 1 . 2]" 1
854 1 23 LYS QD 1 24 THR HA . . 5.340 4.497 3.272 5.350 0.010 16 0 "[ . 1 . 2]" 1
855 1 23 LYS QD 1 28 VAL QG . . 4.030 3.334 1.723 4.041 0.011 7 0 "[ . 1 . 2]" 1
856 1 23 LYS QD 1 112 VAL QG . . 4.700 3.820 2.772 4.556 . 0 0 "[ . 1 . 2]" 1
857 1 24 THR HA 1 115 VAL QG . . 3.850 3.629 3.153 3.859 0.009 18 0 "[ . 1 . 2]" 1
858 1 24 THR MG 1 48 VAL QG . . 3.360 2.416 1.879 3.258 . 0 0 "[ . 1 . 2]" 1
859 1 24 THR MG 1 115 VAL QG . . 3.270 3.190 2.878 3.297 0.027 14 0 "[ . 1 . 2]" 1
860 1 27 GLN H 1 27 GLN QB . . 3.540 3.339 2.605 3.441 . 0 0 "[ . 1 . 2]" 1
861 1 27 GLN H 1 29 VAL QG . . 5.270 4.891 4.192 5.490 0.220 7 0 "[ . 1 . 2]" 1
862 1 27 GLN QB 1 28 VAL H . . 3.870 2.205 2.095 3.598 . 0 0 "[ . 1 . 2]" 1
863 1 27 GLN QB 1 29 VAL QG . . 4.840 3.854 3.593 4.200 . 0 0 "[ . 1 . 2]" 1
864 1 27 GLN HG3 1 29 VAL QG . . 3.970 3.155 2.383 3.504 . 0 0 "[ . 1 . 2]" 1
865 1 27 GLN QE 1 29 VAL QG . . 4.120 2.933 1.814 4.130 0.010 7 0 "[ . 1 . 2]" 1
866 1 28 VAL H 1 28 VAL QG . . 3.620 2.173 1.925 2.732 . 0 0 "[ . 1 . 2]" 1
867 1 28 VAL QG 1 29 VAL H . . 3.430 2.394 2.091 2.781 . 0 0 "[ . 1 . 2]" 1
868 1 28 VAL QG 1 30 PRO HA . . 4.600 4.294 3.834 4.658 0.058 16 0 "[ . 1 . 2]" 1
869 1 29 VAL H 1 29 VAL QG . . 3.220 2.233 1.947 3.066 . 0 0 "[ . 1 . 2]" 1
870 1 29 VAL HB 1 30 PRO QD . . 4.520 2.718 2.169 4.365 . 0 0 "[ . 1 . 2]" 1
871 1 29 VAL HB 1 48 VAL QG . . 3.810 3.226 2.147 3.820 0.010 13 0 "[ . 1 . 2]" 1
872 1 29 VAL QG 1 30 PRO QB . . 5.280 4.634 3.987 4.858 . 0 0 "[ . 1 . 2]" 1
873 1 29 VAL QG 1 30 PRO QG . . 4.270 3.807 3.038 4.158 . 0 0 "[ . 1 . 2]" 1
874 1 29 VAL QG 1 30 PRO QD . . 3.500 2.459 1.891 3.036 . 0 0 "[ . 1 . 2]" 1
875 1 29 VAL QG 1 46 ASN QB . . 4.210 3.624 2.666 4.183 . 0 0 "[ . 1 . 2]" 1
876 1 29 VAL QG 1 48 VAL HA . . 4.500 3.592 2.324 4.350 . 0 0 "[ . 1 . 2]" 1
877 1 29 VAL QG 1 48 VAL QG . . 3.090 1.878 1.702 2.620 . 0 0 "[ . 1 . 2]" 1
878 1 29 VAL QG 1 49 ASP H . . 5.440 4.896 3.325 5.436 . 0 0 "[ . 1 . 2]" 1
879 1 31 ALA MB 1 46 ASN QB . . 3.460 2.972 2.174 3.472 0.012 18 0 "[ . 1 . 2]" 1
880 1 32 LYS H 1 32 LYS QB . . 3.510 2.494 2.180 2.966 . 0 0 "[ . 1 . 2]" 1
881 1 32 LYS QB 1 33 ALA H . . 3.720 3.277 2.734 3.745 0.025 15 0 "[ . 1 . 2]" 1
882 1 32 LYS QE 1 32 LYS QG . . 3.290 2.229 2.061 2.588 . 0 0 "[ . 1 . 2]" 1
883 1 33 ALA HA 1 34 VAL QG . . 3.950 3.553 3.279 3.768 . 0 0 "[ . 1 . 2]" 1
884 1 33 ALA HA 1 42 VAL QG . . 3.370 2.525 1.990 2.857 . 0 0 "[ . 1 . 2]" 1
885 1 33 ALA HA 1 104 VAL QG . . 4.300 3.231 2.719 3.662 . 0 0 "[ . 1 . 2]" 1
886 1 33 ALA MB 1 104 VAL QG . . 3.060 1.693 1.630 1.751 . 0 0 "[ . 1 . 2]" 1
887 1 34 VAL H 1 34 VAL QG . . 3.140 2.245 1.868 2.498 . 0 0 "[ . 1 . 2]" 1
888 1 34 VAL H 1 42 VAL QG . . 3.960 3.481 2.873 3.878 . 0 0 "[ . 1 . 2]" 1
889 1 34 VAL HA 1 35 CYS QB . . 4.750 4.468 4.204 4.682 . 0 0 "[ . 1 . 2]" 1
890 1 34 VAL QG 1 35 CYS H . . 3.380 2.096 1.899 3.363 . 0 0 "[ . 1 . 2]" 1
891 1 34 VAL QG 1 37 SER QB . . 4.270 2.837 1.847 3.740 . 0 0 "[ . 1 . 2]" 1
892 1 35 CYS H 1 35 CYS QB . . 3.220 2.511 2.246 2.587 . 0 0 "[ . 1 . 2]" 1
893 1 35 CYS HA 1 104 VAL QG . . 4.190 3.838 3.390 4.212 0.022 15 0 "[ . 1 . 2]" 1
894 1 35 CYS QB 1 36 GLY H . . 3.910 3.505 3.293 3.918 0.008 11 0 "[ . 1 . 2]" 1
895 1 36 GLY H 1 104 VAL QG . . 4.040 3.888 3.582 4.047 0.007 2 0 "[ . 1 . 2]" 1
896 1 36 GLY QA 1 103 ARG QD . . 4.200 3.916 3.115 4.225 0.025 15 0 "[ . 1 . 2]" 1
897 1 37 SER H 1 37 SER QB . . 3.530 2.455 2.071 2.721 . 0 0 "[ . 1 . 2]" 1
898 1 37 SER H 1 104 VAL QG . . 4.030 3.193 2.774 3.778 . 0 0 "[ . 1 . 2]" 1
899 1 37 SER HA 1 104 VAL QG . . 5.440 4.244 3.849 4.730 . 0 0 "[ . 1 . 2]" 1
900 1 37 SER QB 1 38 THR H . . 3.600 2.287 1.921 3.302 . 0 0 "[ . 1 . 2]" 1
901 1 37 SER QB 1 41 ASP QB . . 3.660 3.587 3.273 3.690 0.030 18 0 "[ . 1 . 2]" 1
902 1 37 SER QB 1 42 VAL QG . . 3.770 2.792 2.537 3.245 . 0 0 "[ . 1 . 2]" 1
903 1 37 SER QB 1 104 VAL QG . . 4.610 2.981 2.225 3.658 . 0 0 "[ . 1 . 2]" 1
904 1 38 THR H 1 42 VAL QG . . 4.490 3.099 2.872 3.779 . 0 0 "[ . 1 . 2]" 1
905 1 38 THR HA 1 40 LEU QD . . 5.440 5.047 4.239 5.545 0.105 18 0 "[ . 1 . 2]" 1
906 1 38 THR HA 1 104 VAL QG . . 4.610 2.780 1.960 3.718 . 0 0 "[ . 1 . 2]" 1
907 1 39 VAL HA 1 42 VAL QG . . 3.980 2.512 2.158 2.816 . 0 0 "[ . 1 . 2]" 1
908 1 39 VAL HB 1 40 LEU QD . . 3.580 3.022 2.384 3.673 0.093 9 0 "[ . 1 . 2]" 1
909 1 39 VAL QG 1 40 LEU H . . 4.410 2.566 1.781 3.032 . 0 0 "[ . 1 . 2]" 1
910 1 39 VAL QG 1 42 VAL QG . . 4.360 3.396 3.251 3.681 . 0 0 "[ . 1 . 2]" 1
911 1 40 LEU H 1 40 LEU QD . . 3.670 2.049 1.883 2.507 . 0 0 "[ . 1 . 2]" 1
912 1 40 LEU QD 1 102 LEU QB . . 3.730 3.552 2.277 3.759 0.029 6 0 "[ . 1 . 2]" 1
913 1 41 ASP H 1 42 VAL QG . . 4.650 3.931 3.764 4.018 . 0 0 "[ . 1 . 2]" 1
914 1 41 ASP QB 1 42 VAL H . . 3.760 2.890 2.864 2.954 . 0 0 "[ . 1 . 2]" 1
915 1 41 ASP QB 1 42 VAL QG . . 4.110 3.144 3.030 3.256 . 0 0 "[ . 1 . 2]" 1
916 1 42 VAL H 1 42 VAL QG . . 3.090 2.372 2.245 2.435 . 0 0 "[ . 1 . 2]" 1
917 1 42 VAL HA 1 42 VAL QG . . 3.030 2.095 2.056 2.133 . 0 0 "[ . 1 . 2]" 1
918 1 42 VAL HA 1 45 LYS QG . . 4.630 2.533 1.946 3.895 . 0 0 "[ . 1 . 2]" 1
919 1 42 VAL HA 1 45 LYS QD . . 4.930 4.195 1.904 4.847 . 0 0 "[ . 1 . 2]" 1
920 1 42 VAL QG 1 43 ALA H . . 3.990 3.175 3.001 3.311 . 0 0 "[ . 1 . 2]" 1
921 1 42 VAL QG 1 43 ALA HA . . 4.180 3.389 3.193 3.580 . 0 0 "[ . 1 . 2]" 1
922 1 43 ALA H 1 48 VAL QG . . 5.440 4.777 3.973 5.128 . 0 0 "[ . 1 . 2]" 1
923 1 43 ALA HA 1 46 ASN QB . . 4.470 3.058 2.303 4.461 . 0 0 "[ . 1 . 2]" 1
924 1 43 ALA HA 1 48 VAL QG . . 3.460 2.857 2.261 3.382 . 0 0 "[ . 1 . 2]" 1
925 1 43 ALA MB 1 48 VAL QG . . 3.590 2.703 1.797 3.180 . 0 0 "[ . 1 . 2]" 1
926 1 44 HIS H 1 45 LYS QG . . 4.050 3.755 3.569 4.303 0.253 18 0 "[ . 1 . 2]" 1
927 1 45 LYS HA 1 45 LYS QD . . 3.570 2.146 1.993 3.943 0.373 18 0 "[ . 1 . 2]" 1
928 1 45 LYS HB3 1 45 LYS QD . . 3.490 2.690 2.440 3.064 . 0 0 "[ . 1 . 2]" 1
929 1 45 LYS HB3 1 45 LYS QE . . 4.330 2.716 1.988 3.775 . 0 0 "[ . 1 . 2]" 1
930 1 46 ASN H 1 46 ASN QB . . 3.180 2.269 2.130 2.752 . 0 0 "[ . 1 . 2]" 1
931 1 46 ASN H 1 47 GLY QA . . 4.900 4.429 4.381 4.453 . 0 0 "[ . 1 . 2]" 1
932 1 46 ASN H 1 48 VAL QG . . 4.730 4.291 3.594 4.719 . 0 0 "[ . 1 . 2]" 1
933 1 46 ASN QB 1 47 GLY H . . 4.280 3.022 2.755 3.726 . 0 0 "[ . 1 . 2]" 1
934 1 46 ASN QB 1 48 VAL QG . . 3.410 2.302 1.927 3.282 . 0 0 "[ . 1 . 2]" 1
935 1 47 GLY H 1 48 VAL QG . . 4.860 3.883 3.590 4.097 . 0 0 "[ . 1 . 2]" 1
936 1 48 VAL H 1 48 VAL QG . . 3.180 2.138 2.000 2.681 . 0 0 "[ . 1 . 2]" 1
937 1 48 VAL HA 1 48 VAL QG . . 2.980 2.088 1.992 2.145 . 0 0 "[ . 1 . 2]" 1
938 1 48 VAL HA 1 49 ASP QB . . 4.190 4.077 4.002 4.151 . 0 0 "[ . 1 . 2]" 1
939 1 48 VAL QG 1 49 ASP H . . 3.260 2.416 1.990 2.980 . 0 0 "[ . 1 . 2]" 1
940 1 48 VAL QG 1 49 ASP HA . . 4.890 3.914 3.497 4.100 . 0 0 "[ . 1 . 2]" 1
941 1 48 VAL QG 1 50 LEU H . . 4.030 3.373 2.713 3.718 . 0 0 "[ . 1 . 2]" 1
942 1 48 VAL QG 1 50 LEU HA . . 5.210 3.834 3.367 4.242 . 0 0 "[ . 1 . 2]" 1
943 1 49 ASP HA 1 50 LEU QB . . 4.630 4.330 4.240 4.409 . 0 0 "[ . 1 . 2]" 1
944 1 50 LEU H 1 50 LEU QB . . 3.560 2.414 2.147 2.763 . 0 0 "[ . 1 . 2]" 1
945 1 65 VAL H 1 65 VAL QG . . 3.930 2.513 2.092 2.698 . 0 0 "[ . 1 . 2]" 1
946 1 65 VAL QG 1 66 ILE H . . 3.890 1.971 1.877 3.054 . 0 0 "[ . 1 . 2]" 1
947 1 65 VAL QG 1 113 PHE QB . . 4.160 3.396 2.940 3.677 . 0 0 "[ . 1 . 2]" 1
948 1 65 VAL QG 1 113 PHE HD2 . . 5.140 3.701 2.744 4.361 . 0 0 "[ . 1 . 2]" 1
949 1 65 VAL QG 1 114 THR H . . 4.150 3.755 3.534 4.185 0.035 7 0 "[ . 1 . 2]" 1
950 1 65 VAL QG 1 115 VAL HA . . 3.570 2.045 1.919 3.186 . 0 0 "[ . 1 . 2]" 1
951 1 66 ILE H 1 66 ILE QG . . 4.060 2.663 2.092 3.147 . 0 0 "[ . 1 . 2]" 1
952 1 66 ILE H 1 116 PRO QD . . 4.450 2.296 2.166 2.538 . 0 0 "[ . 1 . 2]" 1
953 1 66 ILE QG 1 93 THR HB . . 5.340 4.766 4.223 5.362 0.022 15 0 "[ . 1 . 2]" 1
954 1 66 ILE QG 1 116 PRO QB . . 4.310 3.607 3.213 3.971 . 0 0 "[ . 1 . 2]" 1
955 1 66 ILE MD 1 116 PRO QB . . 3.380 2.296 1.874 2.557 . 0 0 "[ . 1 . 2]" 1
956 1 66 ILE MD 1 116 PRO QG . . 3.820 2.735 2.070 3.630 . 0 0 "[ . 1 . 2]" 1
957 1 66 ILE MD 1 116 PRO QD . . 3.730 2.409 1.894 2.914 . 0 0 "[ . 1 . 2]" 1
958 1 67 LEU HA 1 68 GLU QG . . 5.340 5.036 4.258 5.173 . 0 0 "[ . 1 . 2]" 1
959 1 67 LEU HG 1 71 LEU QD . . 3.590 2.852 1.933 3.668 0.078 20 0 "[ . 1 . 2]" 1
960 1 68 GLU HA 1 68 GLU QG . . 3.430 2.194 2.001 2.622 . 0 0 "[ . 1 . 2]" 1
961 1 68 GLU QG 1 112 VAL H . . 4.510 2.308 1.916 3.167 . 0 0 "[ . 1 . 2]" 1
962 1 68 GLU QG 1 112 VAL HA . . 4.690 4.074 3.809 4.493 . 0 0 "[ . 1 . 2]" 1
963 1 68 GLU QG 1 112 VAL HB . . 4.020 1.939 1.880 1.979 . 0 0 "[ . 1 . 2]" 1
964 1 69 GLU H 1 69 GLU QG . . 3.840 3.345 3.095 3.573 . 0 0 "[ . 1 . 2]" 1
965 1 69 GLU HA 1 69 GLU QG . . 3.520 2.174 2.055 2.241 . 0 0 "[ . 1 . 2]" 1
966 1 69 GLU QB 1 70 PRO HD2 . . 3.790 2.541 2.490 2.642 . 0 0 "[ . 1 . 2]" 1
967 1 69 GLU QB 1 70 PRO HD3 . . 3.230 1.941 1.912 2.017 . 0 0 "[ . 1 . 2]" 1
968 1 69 GLU QG 1 70 PRO HD2 . . 4.610 4.401 4.329 4.466 . 0 0 "[ . 1 . 2]" 1
969 1 69 GLU QG 1 95 THR MG . . 3.450 3.238 2.904 3.459 0.009 11 0 "[ . 1 . 2]" 1
970 1 70 PRO HA 1 73 ARG QG . . 4.500 4.438 3.808 4.547 0.047 10 0 "[ . 1 . 2]" 1
971 1 70 PRO QG 1 71 LEU H . . 3.480 1.969 1.872 2.316 . 0 0 "[ . 1 . 2]" 1
972 1 71 LEU H 1 71 LEU QD . . 3.760 3.512 3.306 3.706 . 0 0 "[ . 1 . 2]" 1
973 1 71 LEU HA 1 71 LEU QD . . 3.030 2.442 1.924 3.009 . 0 0 "[ . 1 . 2]" 1
974 1 71 LEU HA 1 74 LYS QG . . 4.400 3.808 2.521 4.382 . 0 0 "[ . 1 . 2]" 1
975 1 71 LEU HA 1 74 LYS QD . . 4.320 3.741 2.725 4.181 . 0 0 "[ . 1 . 2]" 1
976 1 71 LEU QB 1 72 TYR H . . 4.250 2.425 2.301 2.544 . 0 0 "[ . 1 . 2]" 1
977 1 71 LEU QB 1 111 ALA MB . . 4.950 3.684 3.165 4.493 . 0 0 "[ . 1 . 2]" 1
978 1 71 LEU QD 1 74 LYS H . . 5.440 4.992 4.110 5.452 0.012 17 0 "[ . 1 . 2]" 1
979 1 71 LEU QD 1 75 LEU H . . 5.440 4.312 3.408 5.157 . 0 0 "[ . 1 . 2]" 1
980 1 71 LEU QD 1 75 LEU HG . . 4.470 3.365 2.068 4.521 0.051 19 0 "[ . 1 . 2]" 1
981 1 71 LEU QD 1 75 LEU QD . . 3.400 2.457 1.846 3.065 . 0 0 "[ . 1 . 2]" 1
982 1 71 LEU QD 1 108 PHE HA . . 3.560 2.400 1.934 3.373 . 0 0 "[ . 1 . 2]" 1
983 1 71 LEU QD 1 108 PHE HD2 . . 5.000 3.463 1.879 4.635 . 0 0 "[ . 1 . 2]" 1
984 1 71 LEU QD 1 111 ALA H . . 4.990 3.653 3.310 4.496 . 0 0 "[ . 1 . 2]" 1
985 1 71 LEU QD 1 111 ALA MB . . 2.990 1.861 1.600 2.763 . 0 0 "[ . 1 . 2]" 1
986 1 73 ARG H 1 73 ARG QG . . 3.850 3.789 2.996 3.943 0.093 10 0 "[ . 1 . 2]" 1
987 1 73 ARG HA 1 73 ARG QD . . 4.390 3.240 2.125 4.122 . 0 0 "[ . 1 . 2]" 1
988 1 73 ARG HB3 1 74 LYS QG . . 3.870 3.579 3.019 3.849 . 0 0 "[ . 1 . 2]" 1
989 1 74 LYS H 1 74 LYS QD . . 4.390 4.233 3.936 4.399 0.009 9 0 "[ . 1 . 2]" 1
990 1 74 LYS HA 1 74 LYS QG . . 3.710 2.389 2.139 3.338 . 0 0 "[ . 1 . 2]" 1
991 1 74 LYS HA 1 74 LYS QD . . 4.850 3.972 3.672 4.482 . 0 0 "[ . 1 . 2]" 1
992 1 75 LEU H 1 75 LEU QB . . 3.500 2.176 2.032 2.507 . 0 0 "[ . 1 . 2]" 1
993 1 75 LEU H 1 75 LEU QD . . 4.240 2.662 2.133 3.734 . 0 0 "[ . 1 . 2]" 1
994 1 75 LEU HA 1 75 LEU QD . . 2.860 1.981 1.887 2.098 . 0 0 "[ . 1 . 2]" 1
995 1 75 LEU QB 1 75 LEU QD . . 2.850 1.991 1.937 2.056 . 0 0 "[ . 1 . 2]" 1
996 1 75 LEU QB 1 76 GLY H . . 3.630 2.742 2.196 3.077 . 0 0 "[ . 1 . 2]" 1
997 1 75 LEU QD 1 76 GLY H . . 4.810 3.909 3.439 4.299 . 0 0 "[ . 1 . 2]" 1
998 1 76 GLY QA 1 77 GLU H . . 2.720 2.173 2.118 2.262 . 0 0 "[ . 1 . 2]" 1
999 1 76 GLY QA 1 77 GLU QG . . 4.360 3.492 3.221 4.204 . 0 0 "[ . 1 . 2]" 1
1000 1 77 GLU H 1 77 GLU QB . . 3.170 2.994 2.211 3.179 0.009 10 0 "[ . 1 . 2]" 1
1001 1 77 GLU H 1 77 GLU QG . . 3.310 2.305 1.965 3.311 0.001 3 0 "[ . 1 . 2]" 1
1002 1 77 GLU HA 1 78 PRO QG . . 4.470 4.044 4.033 4.070 . 0 0 "[ . 1 . 2]" 1
1003 1 77 GLU QB 1 78 PRO HD2 . . 3.410 1.957 1.946 2.005 . 0 0 "[ . 1 . 2]" 1
1004 1 77 GLU QG 1 78 PRO HD2 . . 4.500 3.820 2.823 4.064 . 0 0 "[ . 1 . 2]" 1
1005 1 78 PRO HA 1 82 GLU QB . . 4.510 3.883 3.165 4.510 . 18 0 "[ . 1 . 2]" 1
1006 1 78 PRO QG 1 86 ILE MD . . 3.920 2.781 2.342 3.182 . 0 0 "[ . 1 . 2]" 1
1007 1 79 SER H 1 82 GLU QB . . 4.210 2.767 2.083 3.717 . 0 0 "[ . 1 . 2]" 1
1008 1 79 SER QB 1 80 ASP H . . 3.090 2.370 1.940 3.097 0.007 20 0 "[ . 1 . 2]" 1
1009 1 80 ASP H 1 80 ASP QB . . 3.060 2.400 2.116 2.662 . 0 0 "[ . 1 . 2]" 1
1010 1 80 ASP HA 1 83 TYR QB . . 3.290 2.079 2.042 2.112 . 0 0 "[ . 1 . 2]" 1
1011 1 81 LYS H 1 81 LYS QB . . 3.220 2.319 2.121 2.562 . 0 0 "[ . 1 . 2]" 1
1012 1 81 LYS HA 1 81 LYS QD . . 4.810 3.261 1.999 4.234 . 0 0 "[ . 1 . 2]" 1
1013 1 81 LYS QB 1 82 GLU H . . 4.040 2.232 2.088 3.235 . 0 0 "[ . 1 . 2]" 1
1014 1 82 GLU QB 1 83 TYR H . . 4.390 2.840 2.695 2.933 . 0 0 "[ . 1 . 2]" 1
1015 1 84 ASP H 1 84 ASP QB . . 3.100 2.144 2.122 2.160 . 0 0 "[ . 1 . 2]" 1
1016 1 86 ILE H 1 86 ILE QG . . 4.720 2.228 2.121 2.327 . 0 0 "[ . 1 . 2]" 1
1017 1 87 ASP QB 1 88 GLN H . . 3.800 3.045 2.934 3.168 . 0 0 "[ . 1 . 2]" 1
1018 1 88 GLN H 1 88 GLN QB . . 3.370 2.213 2.123 2.282 . 0 0 "[ . 1 . 2]" 1
1019 1 88 GLN H 1 88 GLN QG . . 3.570 2.861 2.655 3.699 0.129 17 0 "[ . 1 . 2]" 1
1020 1 88 GLN HA 1 88 GLN QG . . 3.300 2.580 2.140 3.278 . 0 0 "[ . 1 . 2]" 1
1021 1 88 GLN QB 1 89 ALA H . . 4.330 3.158 2.927 3.658 . 0 0 "[ . 1 . 2]" 1
1022 1 88 GLN QG 1 89 ALA H . . 4.570 3.746 2.258 4.516 . 0 0 "[ . 1 . 2]" 1
1023 1 89 ALA HA 1 90 PHE QB . . 5.120 4.322 4.099 4.710 . 0 0 "[ . 1 . 2]" 1
1024 1 89 ALA MB 1 90 PHE QB . . 5.340 4.175 3.874 4.710 . 0 0 "[ . 1 . 2]" 1
1025 1 90 PHE H 1 90 PHE QB . . 3.190 2.297 2.160 2.589 . 0 0 "[ . 1 . 2]" 1
1026 1 90 PHE HA 1 91 GLY QA . . 4.160 3.912 3.900 3.932 . 0 0 "[ . 1 . 2]" 1
1027 1 90 PHE QB 1 91 GLY H . . 4.040 3.478 3.139 3.858 . 0 0 "[ . 1 . 2]" 1
1028 1 102 LEU QB 1 103 ARG H . . 4.410 3.446 2.077 4.036 . 0 0 "[ . 1 . 2]" 1
1029 1 102 LEU QD 1 103 ARG H . . 3.840 3.438 2.409 3.858 0.018 4 0 "[ . 1 . 2]" 1
1030 1 103 ARG H 1 103 ARG QB . . 3.220 2.498 2.165 2.776 . 0 0 "[ . 1 . 2]" 1
1031 1 103 ARG H 1 103 ARG QG . . 4.240 3.545 2.580 4.247 0.007 19 0 "[ . 1 . 2]" 1
1032 1 103 ARG HA 1 103 ARG QG . . 3.740 2.379 2.073 3.395 . 0 0 "[ . 1 . 2]" 1
1033 1 103 ARG HA 1 104 VAL QG . . 3.970 3.462 3.273 3.631 . 0 0 "[ . 1 . 2]" 1
1034 1 103 ARG QB 1 103 ARG QD . . 3.290 2.188 1.946 2.829 . 0 0 "[ . 1 . 2]" 1
1035 1 103 ARG QB 1 104 VAL H . . 4.120 2.881 2.257 3.740 . 0 0 "[ . 1 . 2]" 1
1036 1 103 ARG QG 1 104 VAL H . . 4.220 3.346 1.937 4.191 . 0 0 "[ . 1 . 2]" 1
1037 1 104 VAL H 1 104 VAL QG . . 3.130 2.404 1.980 2.650 . 0 0 "[ . 1 . 2]" 1
1038 1 104 VAL HA 1 108 PHE QB . . 4.400 3.264 2.779 3.869 . 0 0 "[ . 1 . 2]" 1
1039 1 104 VAL QG 1 105 ASP H . . 3.510 2.539 1.969 2.834 . 0 0 "[ . 1 . 2]" 1
1040 1 104 VAL QG 1 105 ASP HA . . 4.900 3.477 3.358 3.658 . 0 0 "[ . 1 . 2]" 1
1041 1 104 VAL QG 1 108 PHE H . . 4.670 4.502 3.985 4.711 0.041 14 0 "[ . 1 . 2]" 1
1042 1 104 VAL QG 1 108 PHE QB . . 3.290 2.872 2.273 3.289 . 0 0 "[ . 1 . 2]" 1
1043 1 104 VAL QG 1 108 PHE HD1 . . 4.180 3.476 2.753 4.050 . 0 0 "[ . 1 . 2]" 1
1044 1 105 ASP H 1 108 PHE QB . . 4.530 2.177 1.927 2.989 . 0 0 "[ . 1 . 2]" 1
1045 1 106 LYS H 1 106 LYS QB . . 3.290 2.247 2.084 2.510 . 0 0 "[ . 1 . 2]" 1
1046 1 106 LYS QB 1 107 SER H . . 4.030 2.932 2.537 3.636 . 0 0 "[ . 1 . 2]" 1
1047 1 108 PHE H 1 108 PHE QB . . 3.350 2.249 2.116 2.482 . 0 0 "[ . 1 . 2]" 1
1048 1 108 PHE QB 1 111 ALA MB . . 3.950 2.792 2.482 3.110 . 0 0 "[ . 1 . 2]" 1
1049 1 109 GLU H 1 109 GLU QB . . 2.990 2.235 2.216 2.247 . 0 0 "[ . 1 . 2]" 1
1050 1 111 ALA HA 1 112 VAL QG . . 4.020 3.332 3.182 3.516 . 0 0 "[ . 1 . 2]" 1
1051 1 111 ALA MB 1 112 VAL QG . . 4.360 4.061 3.835 4.198 . 0 0 "[ . 1 . 2]" 1
1052 1 112 VAL H 1 112 VAL QG . . 3.260 2.371 2.100 2.792 . 0 0 "[ . 1 . 2]" 1
1053 1 112 VAL QG 1 113 PHE H . . 3.390 2.702 2.528 2.900 . 0 0 "[ . 1 . 2]" 1
1054 1 112 VAL QG 1 113 PHE HD1 . . 5.300 4.301 4.007 4.519 . 0 0 "[ . 1 . 2]" 1
1055 1 113 PHE H 1 113 PHE QB . . 3.470 2.558 2.385 2.954 . 0 0 "[ . 1 . 2]" 1
1056 1 113 PHE QB 1 114 THR H . . 4.480 3.566 3.102 3.722 . 0 0 "[ . 1 . 2]" 1
1057 1 114 THR HA 1 115 VAL QG . . 3.810 3.591 3.493 3.662 . 0 0 "[ . 1 . 2]" 1
1058 1 115 VAL H 1 115 VAL QG . . 3.400 2.515 2.402 2.628 . 0 0 "[ . 1 . 2]" 1
1059 1 115 VAL HA 1 116 PRO QG . . 3.930 3.827 3.799 3.839 . 0 0 "[ . 1 . 2]" 1
1060 1 115 VAL HA 1 116 PRO QD . . 3.000 1.922 1.883 1.940 . 0 0 "[ . 1 . 2]" 1
1061 1 115 VAL QG 1 116 PRO HA . . 4.930 4.146 3.989 4.387 . 0 0 "[ . 1 . 2]" 1
1062 1 115 VAL QG 1 116 PRO QB . . 5.280 4.267 3.977 4.729 . 0 0 "[ . 1 . 2]" 1
1063 1 115 VAL QG 1 116 PRO QG . . 4.440 3.434 3.010 4.133 . 0 0 "[ . 1 . 2]" 1
1064 1 115 VAL QG 1 116 PRO QD . . 3.690 2.310 1.880 3.032 . 0 0 "[ . 1 . 2]" 1
1065 1 115 VAL QG 1 117 ARG H . . 4.910 2.751 1.920 4.789 . 0 0 "[ . 1 . 2]" 1
1066 1 116 PRO QB 1 117 ARG H . . 3.560 2.870 1.925 3.152 . 0 0 "[ . 1 . 2]" 1
1067 1 116 PRO QG 1 117 ARG H . . 3.550 2.362 1.956 3.638 0.088 20 0 "[ . 1 . 2]" 1
1068 1 117 ARG H 1 117 ARG QB . . 3.650 2.433 2.125 3.175 . 0 0 "[ . 1 . 2]" 1
1069 1 117 ARG H 1 117 ARG QG . . 4.570 3.370 2.238 4.156 . 0 0 "[ . 1 . 2]" 1
1070 1 117 ARG HA 1 117 ARG QG . . 3.610 2.570 2.151 3.415 . 0 0 "[ . 1 . 2]" 1
1071 1 117 ARG HA 1 117 ARG QD . . 4.460 3.104 2.031 4.266 . 0 0 "[ . 1 . 2]" 1
1072 1 117 ARG QB 1 118 ALA H . . 4.160 3.248 2.372 3.955 . 0 0 "[ . 1 . 2]" 1
1073 1 117 ARG QG 1 118 ALA H . . 4.730 3.414 2.118 4.370 . 0 0 "[ . 1 . 2]" 1
1074 1 124 VAL H 1 124 VAL QG . . 3.590 2.280 1.892 2.886 . 0 0 "[ . 1 . 2]" 1
1075 1 124 VAL QG 1 125 ASP H . . 4.030 2.591 1.963 3.551 . 0 0 "[ . 1 . 2]" 1
1076 1 127 PHE H 1 127 PHE QB . . 3.260 2.747 2.162 3.261 0.001 4 0 "[ . 1 . 2]" 1
1077 1 127 PHE QB 1 128 LYS H . . 4.170 3.213 1.937 4.011 . 0 0 "[ . 1 . 2]" 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 6
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 82.258
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0450
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0343
_Distance_constraint_stats_list.Viol_average_violations_only 0.0857
_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 CYS 1.974 0.101 15 0 "[ . 1 . 2]"
1 60 CYS 2.119 0.102 14 0 "[ . 1 . 2]"
1 63 CYS 2.073 0.105 6 0 "[ . 1 . 2]"
1 100 CYS 2.060 0.105 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 54 CYS SG 1 60 CYS SG . . 3.500 3.593 3.589 3.601 0.101 15 0 "[ . 1 . 2]" 2
2 1 54 CYS SG 1 63 CYS SG . . 6.400 6.392 6.382 6.408 0.008 7 0 "[ . 1 . 2]" 2
3 1 54 CYS SG 1 100 CYS SG . . 5.400 5.396 5.379 5.497 0.097 4 0 "[ . 1 . 2]" 2
4 1 60 CYS SG 1 63 CYS SG . . 5.400 5.403 5.385 5.502 0.102 14 0 "[ . 1 . 2]" 2
5 1 60 CYS SG 1 100 CYS SG . . 6.400 6.396 6.380 6.474 0.074 7 0 "[ . 1 . 2]" 2
6 1 63 CYS SG 1 100 CYS SG . . 3.500 3.594 3.589 3.605 0.105 6 0 "[ . 1 . 2]" 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 64
_Distance_constraint_stats_list.Viol_count 1188
_Distance_constraint_stats_list.Viol_total 5183.576
_Distance_constraint_stats_list.Viol_max 1.017
_Distance_constraint_stats_list.Viol_rms 0.1706
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2025
_Distance_constraint_stats_list.Viol_average_violations_only 0.2182
_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 18 ILE 6.316 0.250 17 0 "[ . 1 . 2]"
1 19 ARG 5.834 0.221 15 0 "[ . 1 . 2]"
1 20 ILE 7.815 0.264 4 0 "[ . 1 . 2]"
1 21 PHE 15.168 0.416 16 0 "[ . 1 . 2]"
1 22 PHE 6.181 0.255 20 0 "[ . 1 . 2]"
1 23 LYS 12.257 0.300 9 0 "[ . 1 . 2]"
1 29 VAL 6.181 0.255 20 0 "[ . 1 . 2]"
1 31 ALA 7.815 0.264 4 0 "[ . 1 . 2]"
1 33 ALA 6.316 0.250 17 0 "[ . 1 . 2]"
1 34 VAL 5.856 0.240 3 0 "[ . 1 . 2]"
1 37 SER 5.856 0.240 3 0 "[ . 1 . 2]"
1 38 THR 19.350 1.017 8 20 [*******+****-*******]
1 39 VAL 10.386 0.323 13 0 "[ . 1 . 2]"
1 42 VAL 19.350 1.017 8 20 [*******+****-*******]
1 43 ALA 10.386 0.323 13 0 "[ . 1 . 2]"
1 65 VAL 15.792 0.822 15 20 [**-***********+*****]
1 66 ILE 12.647 0.409 16 0 "[ . 1 . 2]"
1 67 LEU 10.305 0.402 16 0 "[ . 1 . 2]"
1 68 GLU 23.365 0.673 20 2 "[ . 1 . - +]"
1 69 GLU 12.296 0.395 18 0 "[ . 1 . 2]"
1 70 PRO 3.935 0.304 17 0 "[ . 1 . 2]"
1 71 LEU 9.377 0.340 17 0 "[ . 1 . 2]"
1 72 TYR 9.014 0.385 20 0 "[ . 1 . 2]"
1 73 ARG 12.296 0.395 18 0 "[ . 1 . 2]"
1 74 LYS 3.935 0.304 17 0 "[ . 1 . 2]"
1 75 LEU 9.377 0.340 17 0 "[ . 1 . 2]"
1 79 SER 4.345 0.205 2 0 "[ . 1 . 2]"
1 80 ASP 6.728 0.302 14 0 "[ . 1 . 2]"
1 81 LYS 11.405 0.388 10 0 "[ . 1 . 2]"
1 82 GLU 8.470 0.265 1 0 "[ . 1 . 2]"
1 83 TYR 11.943 0.347 19 0 "[ . 1 . 2]"
1 84 ASP 6.728 0.302 14 0 "[ . 1 . 2]"
1 85 LEU 11.405 0.388 10 0 "[ . 1 . 2]"
1 86 ILE 8.470 0.265 1 0 "[ . 1 . 2]"
1 87 ASP 7.598 0.347 19 0 "[ . 1 . 2]"
1 93 THR 1.142 0.047 15 0 "[ . 1 . 2]"
1 94 GLY 20.068 0.543 15 20 [**********-***+*****]
1 95 THR 10.305 0.402 16 0 "[ . 1 . 2]"
1 96 SER 16.934 0.822 15 20 [**-***********+*****]
1 97 ARG 20.068 0.543 15 20 [**********-***+*****]
1 105 ASP 6.508 0.240 18 0 "[ . 1 . 2]"
1 106 LYS 8.633 0.260 13 0 "[ . 1 . 2]"
1 108 PHE 13.909 0.240 18 0 "[ . 1 . 2]"
1 109 GLU 8.633 0.260 13 0 "[ . 1 . 2]"
1 110 ASN 5.834 0.221 15 0 "[ . 1 . 2]"
1 111 ALA 15.049 0.303 20 0 "[ . 1 . 2]"
1 112 VAL 14.351 0.673 20 2 "[ . 1 . - +]"
1 113 PHE 14.281 0.416 16 0 "[ . 1 . 2]"
1 114 THR 12.647 0.409 16 0 "[ . 1 . 2]"
1 115 VAL 5.497 0.300 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 ILE H 1 31 ALA O . . 1.800 1.866 1.794 2.009 0.209 19 0 "[ . 1 . 2]" 3
2 1 20 ILE N 1 31 ALA O . . 2.700 2.745 2.726 2.831 0.131 19 0 "[ . 1 . 2]" 3
3 1 21 PHE H 1 111 ALA O . . 1.800 1.977 1.815 2.026 0.226 7 0 "[ . 1 . 2]" 3
4 1 21 PHE N 1 111 ALA O . . 2.700 2.905 2.721 3.003 0.303 20 0 "[ . 1 . 2]" 3
5 1 22 PHE H 1 29 VAL O . . 1.800 1.831 1.788 2.025 0.225 4 0 "[ . 1 . 2]" 3
6 1 22 PHE N 1 29 VAL O . . 2.700 2.750 2.691 2.909 0.209 19 0 "[ . 1 . 2]" 3
7 1 23 LYS H 1 113 PHE O . . 1.800 1.993 1.907 2.065 0.265 9 0 "[ . 1 . 2]" 3
8 1 23 LYS N 1 113 PHE O . . 2.700 2.845 2.747 2.977 0.277 9 0 "[ . 1 . 2]" 3
9 1 22 PHE O 1 29 VAL H . . 1.800 1.905 1.793 2.030 0.230 4 0 "[ . 1 . 2]" 3
10 1 22 PHE O 1 29 VAL N . . 2.700 2.819 2.720 2.955 0.255 20 0 "[ . 1 . 2]" 3
11 1 20 ILE O 1 31 ALA H . . 1.800 1.995 1.795 2.053 0.253 10 0 "[ . 1 . 2]" 3
12 1 20 ILE O 1 31 ALA N . . 2.700 2.785 2.739 2.964 0.264 4 0 "[ . 1 . 2]" 3
13 1 18 ILE O 1 33 ALA H . . 1.800 2.003 1.901 2.050 0.250 17 0 "[ . 1 . 2]" 3
14 1 18 ILE O 1 33 ALA N . . 2.700 2.813 2.743 2.942 0.242 17 0 "[ . 1 . 2]" 3
15 1 34 VAL O 1 37 SER H . . 1.800 2.002 1.837 2.038 0.238 17 0 "[ . 1 . 2]" 3
16 1 34 VAL O 1 37 SER N . . 2.700 2.790 2.735 2.940 0.240 3 0 "[ . 1 . 2]" 3
17 1 38 THR O 1 42 VAL H . . 2.700 2.019 1.997 2.058 . 0 0 "[ . 1 . 2]" 3
18 1 38 THR O 1 42 VAL N . . 1.800 2.768 2.739 2.817 1.017 8 20 [*******+****-*******] 3
19 1 39 VAL O 1 43 ALA H . . 1.800 2.042 2.004 2.078 0.278 13 0 "[ . 1 . 2]" 3
20 1 39 VAL O 1 43 ALA N . . 2.700 2.978 2.840 3.023 0.323 13 0 "[ . 1 . 2]" 3
21 1 65 VAL H 1 96 SER O . . 2.700 2.557 2.511 2.627 . 0 0 "[ . 1 . 2]" 3
22 1 65 VAL N 1 96 SER O . . 1.800 2.590 2.578 2.622 0.822 15 20 [**-***********+*****] 3
23 1 66 ILE H 1 114 THR O . . 1.800 2.126 2.091 2.209 0.409 16 0 "[ . 1 . 2]" 3
24 1 66 ILE N 1 114 THR O . . 2.700 2.835 2.784 2.918 0.218 16 0 "[ . 1 . 2]" 3
25 1 68 GLU H 1 112 VAL O . . 1.800 2.223 2.162 2.473 0.673 20 2 "[ . 1 . - +]" 3
26 1 68 GLU N 1 112 VAL O . . 2.700 2.994 2.916 3.101 0.401 20 0 "[ . 1 . 2]" 3
27 1 67 LEU H 1 95 THR O . . 1.800 2.139 2.113 2.202 0.402 16 0 "[ . 1 . 2]" 3
28 1 67 LEU N 1 95 THR O . . 2.700 2.876 2.831 2.924 0.224 20 0 "[ . 1 . 2]" 3
29 1 68 GLU O 1 72 TYR H . . 1.800 2.027 1.958 2.185 0.385 20 0 "[ . 1 . 2]" 3
30 1 68 GLU O 1 72 TYR N . . 2.700 2.924 2.882 3.047 0.347 20 0 "[ . 1 . 2]" 3
31 1 69 GLU O 1 73 ARG H . . 1.800 2.089 2.039 2.173 0.373 17 0 "[ . 1 . 2]" 3
32 1 69 GLU O 1 73 ARG N . . 2.700 3.025 2.988 3.095 0.395 18 0 "[ . 1 . 2]" 3
33 1 70 PRO O 1 74 LYS H . . 1.800 1.896 1.793 2.039 0.239 17 0 "[ . 1 . 2]" 3
34 1 70 PRO O 1 74 LYS N . . 2.700 2.800 2.735 3.004 0.304 17 0 "[ . 1 . 2]" 3
35 1 71 LEU O 1 75 LEU H . . 1.800 2.043 2.014 2.140 0.340 17 0 "[ . 1 . 2]" 3
36 1 71 LEU O 1 75 LEU N . . 2.700 2.925 2.758 3.031 0.331 9 0 "[ . 1 . 2]" 3
37 1 79 SER O 1 83 TYR H . . 1.800 1.934 1.818 2.005 0.205 2 0 "[ . 1 . 2]" 3
38 1 79 SER O 1 83 TYR N . . 2.700 2.784 2.725 2.838 0.138 10 0 "[ . 1 . 2]" 3
39 1 80 ASP O 1 84 ASP H . . 1.800 1.933 1.785 2.041 0.241 14 0 "[ . 1 . 2]" 3
40 1 80 ASP O 1 84 ASP N . . 2.700 2.901 2.762 3.002 0.302 14 0 "[ . 1 . 2]" 3
41 1 81 LYS O 1 85 LEU H . . 1.800 2.063 2.000 2.160 0.360 10 0 "[ . 1 . 2]" 3
42 1 81 LYS O 1 85 LEU N . . 2.700 3.008 2.942 3.088 0.388 10 0 "[ . 1 . 2]" 3
43 1 82 GLU O 1 86 ILE H . . 1.800 2.000 1.884 2.045 0.245 6 0 "[ . 1 . 2]" 3
44 1 82 GLU O 1 86 ILE N . . 2.700 2.924 2.825 2.965 0.265 1 0 "[ . 1 . 2]" 3
45 1 83 TYR O 1 87 ASP H . . 1.800 1.991 1.881 2.109 0.309 10 0 "[ . 1 . 2]" 3
46 1 83 TYR O 1 87 ASP N . . 2.700 2.889 2.748 3.047 0.347 19 0 "[ . 1 . 2]" 3
47 1 93 THR O 1 96 SER H . . 1.800 1.825 1.814 1.847 0.047 15 0 "[ . 1 . 2]" 3
48 1 93 THR O 1 96 SER N . . 2.700 2.732 2.724 2.737 0.037 5 0 "[ . 1 . 2]" 3
49 1 94 GLY O 1 97 ARG H . . 1.800 2.276 2.271 2.294 0.494 15 0 "[ . 1 . 2]" 3
50 1 94 GLY O 1 97 ARG N . . 2.700 3.227 3.219 3.243 0.543 15 20 [**********-***+*****] 3
51 1 105 ASP O 1 108 PHE H . . 1.800 1.988 1.879 2.040 0.240 18 0 "[ . 1 . 2]" 3
52 1 105 ASP O 1 108 PHE N . . 2.700 2.838 2.762 2.908 0.208 10 0 "[ . 1 . 2]" 3
53 1 106 LYS O 1 109 GLU H . . 1.800 2.020 2.002 2.049 0.249 13 0 "[ . 1 . 2]" 3
54 1 106 LYS O 1 109 GLU N . . 2.700 2.912 2.830 2.960 0.260 13 0 "[ . 1 . 2]" 3
55 1 19 ARG O 1 110 ASN H . . 1.800 1.995 1.916 2.021 0.221 15 0 "[ . 1 . 2]" 3
56 1 19 ARG O 1 110 ASN N . . 2.700 2.796 2.730 2.895 0.195 13 0 "[ . 1 . 2]" 3
57 1 108 PHE O 1 111 ALA H . . 1.800 2.004 1.859 2.035 0.235 13 0 "[ . 1 . 2]" 3
58 1 108 PHE O 1 111 ALA N . . 2.700 2.866 2.747 2.897 0.197 8 0 "[ . 1 . 2]" 3
59 1 21 PHE O 1 113 PHE H . . 1.800 1.954 1.795 2.143 0.343 16 0 "[ . 1 . 2]" 3
60 1 21 PHE O 1 113 PHE N . . 2.700 2.921 2.748 3.116 0.416 16 0 "[ . 1 . 2]" 3
61 1 66 ILE O 1 114 THR H . . 1.800 1.972 1.846 2.054 0.254 15 0 "[ . 1 . 2]" 3
62 1 66 ILE O 1 114 THR N . . 2.700 2.673 2.651 2.692 . 0 0 "[ . 1 . 2]" 3
63 1 23 LYS O 1 115 VAL H . . 1.800 1.913 1.780 2.052 0.252 9 0 "[ . 1 . 2]" 3
64 1 23 LYS O 1 115 VAL N . . 2.700 2.860 2.744 3.000 0.300 9 0 "[ . 1 . 2]" 3
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