Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597093 | 2n1u RC | 25575 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n1u
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 922
_Distance_constraint_stats_list.Viol_count 887
_Distance_constraint_stats_list.Viol_total 603.779
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0146
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0454
_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 3 TYR 0.208 0.112 12 0 "[ . 1 .]"
1 4 GLY 0.659 0.247 15 0 "[ . 1 .]"
1 5 GLN 1.896 0.247 15 0 "[ . 1 .]"
1 6 SER 1.007 0.102 8 0 "[ . 1 .]"
1 7 CYS 1.008 0.085 1 0 "[ . 1 .]"
1 8 CYS 0.450 0.095 5 0 "[ . 1 .]"
1 9 LEU 1.781 0.105 1 0 "[ . 1 .]"
1 10 ILE 3.687 0.128 7 0 "[ . 1 .]"
1 11 GLU 1.661 0.105 7 0 "[ . 1 .]"
1 12 ASP 2.634 0.167 1 0 "[ . 1 .]"
1 13 GLY 1.652 0.167 4 0 "[ . 1 .]"
1 14 GLU 1.759 0.167 1 0 "[ . 1 .]"
1 15 ARG 0.966 0.141 12 0 "[ . 1 .]"
1 16 CYS 0.264 0.069 8 0 "[ . 1 .]"
1 17 VAL 0.990 0.141 12 0 "[ . 1 .]"
1 18 ARG 0.229 0.109 6 0 "[ . 1 .]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 20 ALA 1.027 0.103 2 0 "[ . 1 .]"
1 21 GLY 0.433 0.128 12 0 "[ . 1 .]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 23 ALA 2.064 0.183 7 0 "[ . 1 .]"
1 24 SER 2.931 0.136 7 0 "[ . 1 .]"
1 25 PHE 1.665 0.099 2 0 "[ . 1 .]"
1 26 SER 1.716 0.123 2 0 "[ . 1 .]"
1 27 LYS 1.296 0.182 8 0 "[ . 1 .]"
1 28 ARG 0.190 0.058 2 0 "[ . 1 .]"
1 29 VAL 1.250 0.123 2 0 "[ . 1 .]"
1 30 GLN 1.468 0.182 8 0 "[ . 1 .]"
1 31 LYS 2.418 0.212 2 0 "[ . 1 .]"
1 32 SER 3.049 0.212 2 0 "[ . 1 .]"
1 33 ILE 2.236 0.129 5 0 "[ . 1 .]"
1 34 SER 1.288 0.119 13 0 "[ . 1 .]"
1 35 GLN 0.047 0.038 6 0 "[ . 1 .]"
1 36 LYS 2.287 0.119 13 0 "[ . 1 .]"
1 37 LYS 0.603 0.061 12 0 "[ . 1 .]"
1 38 LEU 1.172 0.129 5 0 "[ . 1 .]"
1 39 LYS 0.333 0.067 7 0 "[ . 1 .]"
1 40 LEU 2.647 0.167 13 0 "[ . 1 .]"
1 41 ASP 1.271 0.079 5 0 "[ . 1 .]"
1 42 ILE 1.224 0.079 5 0 "[ . 1 .]"
1 43 ASP 0.299 0.107 11 0 "[ . 1 .]"
1 44 LYS 0.545 0.084 14 0 "[ . 1 .]"
1 45 SER 0.000 0.000 . 0 "[ . 1 .]"
1 46 VAL 0.434 0.086 9 0 "[ . 1 .]"
1 48 HIS 1.376 0.095 5 0 "[ . 1 .]"
1 49 LEU 1.829 0.136 7 0 "[ . 1 .]"
1 50 TYR 2.091 0.117 12 0 "[ . 1 .]"
1 51 ILE 1.765 0.100 9 0 "[ . 1 .]"
1 52 CYS 1.210 0.128 12 0 "[ . 1 .]"
1 53 ASP 0.581 0.100 9 0 "[ . 1 .]"
1 54 PHE 0.726 0.109 6 0 "[ . 1 .]"
1 55 HIS 2.645 0.183 7 0 "[ . 1 .]"
1 56 LYS 0.826 0.088 2 0 "[ . 1 .]"
1 57 ASN 0.397 0.048 2 0 "[ . 1 .]"
1 58 PHE 2.307 0.167 13 0 "[ . 1 .]"
1 59 ILE 3.212 0.117 13 0 "[ . 1 .]"
1 60 GLN 0.561 0.085 15 0 "[ . 1 .]"
1 61 SER 0.132 0.085 15 0 "[ . 1 .]"
1 62 VAL 0.439 0.117 13 0 "[ . 1 .]"
1 63 ARG 0.406 0.111 2 0 "[ . 1 .]"
1 64 ASN 0.934 0.148 15 0 "[ . 1 .]"
1 65 LYS 0.957 0.148 15 0 "[ . 1 .]"
1 67 LYS 0.032 0.020 2 0 "[ . 1 .]"
1 68 ARG 0.032 0.020 2 0 "[ . 1 .]"
1 69 LYS 0.054 0.036 15 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLU QG 1 12 ASP H . . 4.650 2.775 2.667 3.001 . 0 0 "[ . 1 .]" 1
2 1 62 VAL H 1 62 VAL HB . . 3.720 3.327 2.545 3.703 . 0 0 "[ . 1 .]" 1
3 1 68 ARG QB 1 69 LYS H . . 4.520 3.003 1.804 4.104 . 0 0 "[ . 1 .]" 1
4 1 69 LYS H 1 69 LYS QD . . 5.190 4.510 3.567 5.226 0.036 15 0 "[ . 1 .]" 1
5 1 61 SER H 1 61 SER QB . . 3.150 2.240 2.146 2.494 . 0 0 "[ . 1 .]" 1
6 1 60 GLN QB 1 61 SER H . . 3.800 2.796 2.500 3.043 . 0 0 "[ . 1 .]" 1
7 1 60 GLN H 1 61 SER H . . 3.450 2.516 2.130 2.755 . 0 0 "[ . 1 .]" 1
8 1 59 ILE H 1 61 SER H . . 4.480 4.198 4.049 4.310 . 0 0 "[ . 1 .]" 1
9 1 59 ILE MG 1 60 GLN H . . 4.180 3.785 3.470 4.073 . 0 0 "[ . 1 .]" 1
10 1 59 ILE H 1 59 ILE MG . . 3.990 3.811 3.779 3.858 . 0 0 "[ . 1 .]" 1
11 1 55 HIS HB3 1 59 ILE H . . 4.890 4.822 4.625 4.966 0.076 12 0 "[ . 1 .]" 1
12 1 58 PHE HB3 1 59 ILE H . . 3.750 2.486 2.375 2.635 . 0 0 "[ . 1 .]" 1
13 1 56 LYS HA 1 59 ILE H . . 4.820 3.983 3.719 4.310 . 0 0 "[ . 1 .]" 1
14 1 57 ASN H 1 59 ILE H . . 4.720 4.562 4.424 4.718 . 0 0 "[ . 1 .]" 1
15 1 59 ILE H 1 60 GLN H . . 3.670 2.721 2.608 2.832 . 0 0 "[ . 1 .]" 1
16 1 58 PHE H 1 59 ILE H . . 3.600 3.009 2.909 3.088 . 0 0 "[ . 1 .]" 1
17 1 58 PHE H 1 58 PHE HB3 . . 3.440 2.572 2.475 2.647 . 0 0 "[ . 1 .]" 1
18 1 58 PHE H 1 58 PHE HB2 . . 3.320 2.390 2.266 2.525 . 0 0 "[ . 1 .]" 1
19 1 56 LYS HB3 1 58 PHE H . . 5.350 5.079 4.902 5.245 . 0 0 "[ . 1 .]" 1
20 1 58 PHE H 1 60 GLN QB . . 5.500 5.085 4.907 5.439 . 0 0 "[ . 1 .]" 1
21 1 53 ASP HA 1 57 ASN H . . 4.380 4.089 3.856 4.328 . 0 0 "[ . 1 .]" 1
22 1 54 PHE HA 1 57 ASN H . . 4.650 3.753 3.571 3.876 . 0 0 "[ . 1 .]" 1
23 1 56 LYS HB3 1 57 ASN H . . 3.600 2.561 2.422 2.749 . 0 0 "[ . 1 .]" 1
24 1 56 LYS HB2 1 57 ASN H . . 4.120 3.889 3.792 4.066 . 0 0 "[ . 1 .]" 1
25 1 55 HIS HB2 1 56 LYS H . . 3.840 3.095 3.024 3.180 . 0 0 "[ . 1 .]" 1
26 1 53 ASP HA 1 56 LYS H . . 3.960 3.271 2.875 3.647 . 0 0 "[ . 1 .]" 1
27 1 56 LYS H 1 56 LYS HB3 . . 3.370 2.553 2.308 2.681 . 0 0 "[ . 1 .]" 1
28 1 56 LYS H 1 56 LYS HB2 . . 3.330 2.476 2.396 2.663 . 0 0 "[ . 1 .]" 1
29 1 23 ALA MB 1 56 LYS H . . 4.160 3.941 3.799 4.121 . 0 0 "[ . 1 .]" 1
30 1 56 LYS H 1 57 ASN H . . 3.600 2.888 2.832 2.961 . 0 0 "[ . 1 .]" 1
31 1 55 HIS H 1 56 LYS H . . 3.700 2.672 2.571 2.737 . 0 0 "[ . 1 .]" 1
32 1 53 ASP H 1 53 ASP HB3 . . 3.600 2.864 2.343 3.570 . 0 0 "[ . 1 .]" 1
33 1 52 CYS HB2 1 53 ASP H . . 3.600 2.567 2.180 2.859 . 0 0 "[ . 1 .]" 1
34 1 51 ILE H 1 51 ILE HG12 . . 3.860 2.684 2.582 2.789 . 0 0 "[ . 1 .]" 1
35 1 51 ILE H 1 51 ILE HG13 . . 4.250 3.447 3.326 3.562 . 0 0 "[ . 1 .]" 1
36 1 45 SER H 1 45 SER HB3 . . 3.810 2.838 2.445 3.583 . 0 0 "[ . 1 .]" 1
37 1 44 LYS H 1 45 SER H . . 3.980 2.596 2.073 2.942 . 0 0 "[ . 1 .]" 1
38 1 41 ASP HA 1 42 ILE H . . 3.220 2.586 2.447 2.684 . 0 0 "[ . 1 .]" 1
39 1 42 ILE H 1 42 ILE HB . . 3.690 2.680 2.642 2.773 . 0 0 "[ . 1 .]" 1
40 1 10 ILE HB 1 41 ASP H . . 4.510 2.839 2.609 3.140 . 0 0 "[ . 1 .]" 1
41 1 3 TYR H 1 3 TYR HB3 . . 4.090 3.510 2.606 3.882 . 0 0 "[ . 1 .]" 1
42 1 3 TYR HA 1 4 GLY H . . 3.270 2.518 2.100 3.352 0.082 14 0 "[ . 1 .]" 1
43 1 4 GLY H 1 5 GLN H . . 3.890 2.967 1.885 4.137 0.247 15 0 "[ . 1 .]" 1
44 1 5 GLN H 1 5 GLN HB3 . . 3.920 3.346 2.666 3.935 0.015 15 0 "[ . 1 .]" 1
45 1 5 GLN HB2 1 6 SER H . . 4.740 4.195 2.607 4.634 . 0 0 "[ . 1 .]" 1
46 1 53 ASP H 1 54 PHE H . . 3.650 2.731 2.571 2.880 . 0 0 "[ . 1 .]" 1
47 1 54 PHE H 1 55 HIS H . . 3.820 2.734 2.569 2.991 . 0 0 "[ . 1 .]" 1
48 1 8 CYS H 1 52 CYS H . . 4.860 4.240 4.027 4.615 . 0 0 "[ . 1 .]" 1
49 1 8 CYS H 1 51 ILE HA . . 3.830 2.700 2.575 2.886 . 0 0 "[ . 1 .]" 1
50 1 7 CYS HA 1 8 CYS H . . 3.160 2.387 2.188 2.594 . 0 0 "[ . 1 .]" 1
51 1 54 PHE H 1 54 PHE HB2 . . 3.420 2.205 2.029 2.434 . 0 0 "[ . 1 .]" 1
52 1 52 CYS HB2 1 54 PHE H . . 4.060 3.015 2.850 3.307 . 0 0 "[ . 1 .]" 1
53 1 53 ASP HB2 1 54 PHE H . . 4.560 3.711 3.332 3.977 . 0 0 "[ . 1 .]" 1
54 1 54 PHE H 1 54 PHE HB3 . . 3.420 2.665 2.471 2.825 . 0 0 "[ . 1 .]" 1
55 1 9 LEU H 1 42 ILE MD . . 4.790 4.625 4.327 4.816 0.026 5 0 "[ . 1 .]" 1
56 1 9 LEU H 1 9 LEU MD2 . . 4.640 3.605 2.989 3.996 . 0 0 "[ . 1 .]" 1
57 1 9 LEU HB3 1 10 ILE H . . 4.250 2.481 2.285 2.670 . 0 0 "[ . 1 .]" 1
58 1 10 ILE MG 1 11 GLU H . . 4.030 2.715 2.536 2.936 . 0 0 "[ . 1 .]" 1
59 1 11 GLU H 1 11 GLU HB2 . . 4.050 3.046 2.879 3.154 . 0 0 "[ . 1 .]" 1
60 1 11 GLU H 1 11 GLU HB3 . . 3.610 3.070 2.897 3.153 . 0 0 "[ . 1 .]" 1
61 1 10 ILE MG 1 13 GLY H . . 3.510 2.458 2.242 3.060 . 0 0 "[ . 1 .]" 1
62 1 12 ASP H 1 13 GLY H . . 3.830 2.917 2.797 3.242 . 0 0 "[ . 1 .]" 1
63 1 14 GLU H 1 14 GLU HB2 . . 3.590 2.600 2.219 2.721 . 0 0 "[ . 1 .]" 1
64 1 14 GLU H 1 14 GLU HB3 . . 3.590 2.575 2.357 3.499 . 0 0 "[ . 1 .]" 1
65 1 10 ILE MG 1 14 GLU H . . 3.780 3.434 3.313 3.605 . 0 0 "[ . 1 .]" 1
66 1 11 GLU H 1 14 GLU H . . 3.780 3.288 3.110 3.540 . 0 0 "[ . 1 .]" 1
67 1 13 GLY H 1 14 GLU H . . 3.710 2.161 1.761 2.437 . 0 0 "[ . 1 .]" 1
68 1 14 GLU HA 1 15 ARG H . . 3.090 2.187 2.099 2.272 . 0 0 "[ . 1 .]" 1
69 1 15 ARG HB2 1 16 CYS H . . 4.870 4.536 4.377 4.664 . 0 0 "[ . 1 .]" 1
70 1 17 VAL H 1 18 ARG H . . 3.440 2.324 2.011 2.562 . 0 0 "[ . 1 .]" 1
71 1 7 CYS HB3 1 17 VAL H . . 4.660 4.357 4.069 4.725 0.065 12 0 "[ . 1 .]" 1
72 1 7 CYS HB3 1 18 ARG H . . 4.580 3.436 3.256 3.725 . 0 0 "[ . 1 .]" 1
73 1 18 ARG H 1 18 ARG HB2 . . 3.620 2.309 2.196 2.427 . 0 0 "[ . 1 .]" 1
74 1 18 ARG H 1 18 ARG HG2 . . 4.100 3.662 3.390 4.048 . 0 0 "[ . 1 .]" 1
75 1 18 ARG H 1 18 ARG HG3 . . 4.100 2.533 2.084 3.016 . 0 0 "[ . 1 .]" 1
76 1 19 PRO HA 1 20 ALA H . . 2.960 2.205 2.167 2.290 . 0 0 "[ . 1 .]" 1
77 1 21 GLY H 1 23 ALA H . . 4.650 3.515 2.927 4.331 . 0 0 "[ . 1 .]" 1
78 1 20 ALA HA 1 21 GLY H . . 3.230 2.210 2.081 2.377 . 0 0 "[ . 1 .]" 1
79 1 20 ALA MB 1 21 GLY H . . 3.760 2.831 2.249 3.553 . 0 0 "[ . 1 .]" 1
80 1 23 ALA HA 1 24 SER H . . 3.250 2.196 2.132 2.282 . 0 0 "[ . 1 .]" 1
81 1 29 VAL H 1 29 VAL MG2 . . 4.440 2.172 2.039 2.360 . 0 0 "[ . 1 .]" 1
82 1 29 VAL H 1 29 VAL HB . . 3.260 2.515 2.425 2.605 . 0 0 "[ . 1 .]" 1
83 1 29 VAL H 1 30 GLN H . . 3.480 2.595 2.375 2.718 . 0 0 "[ . 1 .]" 1
84 1 30 GLN H 1 31 LYS H . . 3.840 3.011 2.811 3.296 . 0 0 "[ . 1 .]" 1
85 1 31 LYS H 1 33 ILE H . . 4.740 4.343 4.140 4.617 . 0 0 "[ . 1 .]" 1
86 1 32 SER H 1 32 SER HB3 . . 3.710 2.877 2.640 3.520 . 0 0 "[ . 1 .]" 1
87 1 29 VAL HA 1 32 SER H . . 4.140 3.532 3.285 3.774 . 0 0 "[ . 1 .]" 1
88 1 31 LYS HB2 1 32 SER H . . 4.470 3.348 2.556 4.253 . 0 0 "[ . 1 .]" 1
89 1 31 LYS HB3 1 32 SER H . . 4.470 3.153 2.366 4.074 . 0 0 "[ . 1 .]" 1
90 1 31 LYS H 1 32 SER H . . 3.450 2.774 2.662 2.886 . 0 0 "[ . 1 .]" 1
91 1 34 SER H 1 35 GLN H . . 4.540 2.956 2.842 3.041 . 0 0 "[ . 1 .]" 1
92 1 33 ILE H 1 34 SER H . . 4.070 2.618 2.379 2.797 . 0 0 "[ . 1 .]" 1
93 1 35 GLN H 1 35 GLN HB3 . . 4.170 2.882 2.425 3.588 . 0 0 "[ . 1 .]" 1
94 1 35 GLN H 1 36 LYS H . . 4.540 2.783 2.613 2.882 . 0 0 "[ . 1 .]" 1
95 1 34 SER HA 1 36 LYS H . . 4.540 3.780 3.569 4.216 . 0 0 "[ . 1 .]" 1
96 1 36 LYS HG3 1 37 LYS H . . 5.500 5.213 4.710 5.545 0.045 4 0 "[ . 1 .]" 1
97 1 37 LYS H 1 38 LEU HB2 . . 4.920 4.884 4.425 4.981 0.061 12 0 "[ . 1 .]" 1
98 1 36 LYS H 1 36 LYS HB3 . . 3.830 3.392 2.686 3.848 0.018 2 0 "[ . 1 .]" 1
99 1 38 LEU H 1 38 LEU HB3 . . 3.690 3.515 3.323 3.581 . 0 0 "[ . 1 .]" 1
100 1 38 LEU H 1 38 LEU QD . . 4.100 3.222 2.638 3.532 . 0 0 "[ . 1 .]" 1
101 1 63 ARG H 1 63 ARG HB3 . . 4.060 2.789 2.416 3.657 . 0 0 "[ . 1 .]" 1
102 1 62 VAL HB 1 63 ARG H . . 4.350 3.879 2.681 4.374 0.024 1 0 "[ . 1 .]" 1
103 1 67 LYS H 1 67 LYS QG . . 4.810 3.442 2.228 4.259 . 0 0 "[ . 1 .]" 1
104 1 67 LYS HA 1 68 ARG H . . 3.540 2.596 2.049 3.560 0.020 2 0 "[ . 1 .]" 1
105 1 67 LYS QB 1 68 ARG H . . 4.560 3.354 2.444 4.088 . 0 0 "[ . 1 .]" 1
106 1 3 TYR H 1 3 TYR HB2 . . 4.090 2.634 2.245 4.041 . 0 0 "[ . 1 .]" 1
107 1 48 HIS H 1 48 HIS HE2 . . 4.890 4.770 4.502 4.940 0.050 12 0 "[ . 1 .]" 1
108 1 49 LEU H 1 49 LEU QD . . 4.600 2.961 2.108 3.416 . 0 0 "[ . 1 .]" 1
109 1 49 LEU H 1 49 LEU HB2 . . 3.820 2.651 2.571 2.830 . 0 0 "[ . 1 .]" 1
110 1 5 GLN H 1 6 SER H . . 4.490 3.944 3.236 4.537 0.047 9 0 "[ . 1 .]" 1
111 1 5 GLN QG 1 6 SER H . . 4.770 4.130 3.760 4.484 . 0 0 "[ . 1 .]" 1
112 1 10 ILE HG12 1 11 GLU H . . 4.440 4.402 4.175 4.517 0.077 7 0 "[ . 1 .]" 1
113 1 12 ASP HB2 1 13 GLY H . . 4.850 4.006 3.640 4.249 . 0 0 "[ . 1 .]" 1
114 1 10 ILE MG 1 15 ARG H . . 5.070 3.988 3.313 4.789 . 0 0 "[ . 1 .]" 1
115 1 6 SER HA 1 20 ALA H . . 3.280 2.108 1.949 2.260 . 0 0 "[ . 1 .]" 1
116 1 20 ALA H 1 21 GLY H . . 4.760 4.504 4.148 4.652 . 0 0 "[ . 1 .]" 1
117 1 17 VAL H 1 18 ARG HB2 . . 4.930 4.452 4.204 4.733 . 0 0 "[ . 1 .]" 1
118 1 31 LYS QD 1 32 SER H . . 4.760 4.670 3.217 4.972 0.212 2 0 "[ . 1 .]" 1
119 1 40 LEU HG 1 41 ASP H . . 5.500 4.709 3.517 5.210 . 0 0 "[ . 1 .]" 1
120 1 48 HIS HA 1 49 LEU H . . 3.420 2.385 2.267 2.562 . 0 0 "[ . 1 .]" 1
121 1 24 SER HA 1 51 ILE H . . 4.910 2.961 2.570 3.334 . 0 0 "[ . 1 .]" 1
122 1 7 CYS H 1 52 CYS H . . 5.270 4.323 4.153 4.479 . 0 0 "[ . 1 .]" 1
123 1 55 HIS HB3 1 56 LYS H . . 4.440 3.481 3.338 3.638 . 0 0 "[ . 1 .]" 1
124 1 51 ILE MG 1 56 LYS H . . 5.430 5.288 5.224 5.378 . 0 0 "[ . 1 .]" 1
125 1 9 LEU H 1 51 ILE HA . . 3.970 3.979 3.877 4.046 0.076 14 0 "[ . 1 .]" 1
126 1 51 ILE HA 1 51 ILE MD . . 4.500 4.221 4.205 4.235 . 0 0 "[ . 1 .]" 1
127 1 24 SER HB2 1 50 TYR QD . . 4.770 4.772 4.323 4.843 0.073 9 0 "[ . 1 .]" 1
128 1 25 PHE QD 1 30 GLN QG . . 4.820 3.583 2.754 4.822 0.002 8 0 "[ . 1 .]" 1
129 1 25 PHE QD 1 49 LEU QD . . 4.120 2.949 2.347 3.808 . 0 0 "[ . 1 .]" 1
130 1 40 LEU MD1 1 58 PHE QD . . 4.460 2.441 2.022 3.643 . 0 0 "[ . 1 .]" 1
131 1 46 VAL HB 1 48 HIS HD2 . . 3.880 3.071 2.891 3.380 . 0 0 "[ . 1 .]" 1
132 1 55 HIS HD2 1 58 PHE HB3 . . 4.020 2.764 2.588 2.958 . 0 0 "[ . 1 .]" 1
133 1 55 HIS HB3 1 55 HIS HD2 . . 3.950 3.114 2.977 3.217 . 0 0 "[ . 1 .]" 1
134 1 9 LEU MD1 1 55 HIS HD2 . . 4.700 3.306 2.996 3.666 . 0 0 "[ . 1 .]" 1
135 1 10 ILE HA 1 16 CYS HB2 . . 5.300 3.711 3.493 3.943 . 0 0 "[ . 1 .]" 1
136 1 15 ARG HA 1 16 CYS HB2 . . 5.500 4.287 4.145 4.433 . 0 0 "[ . 1 .]" 1
137 1 10 ILE HA 1 16 CYS HB3 . . 5.300 4.501 4.228 4.793 . 0 0 "[ . 1 .]" 1
138 1 15 ARG HA 1 16 CYS HB3 . . 5.500 4.643 4.471 4.849 . 0 0 "[ . 1 .]" 1
139 1 60 GLN HA 1 60 GLN HG3 . . 3.890 3.282 2.787 3.763 . 0 0 "[ . 1 .]" 1
140 1 60 GLN H 1 60 GLN QB . . 3.160 2.357 2.209 2.493 . 0 0 "[ . 1 .]" 1
141 1 59 ILE MG 1 60 GLN HG3 . . 5.310 4.769 3.793 5.365 0.055 15 0 "[ . 1 .]" 1
142 1 59 ILE MG 1 60 GLN HG2 . . 5.310 4.422 3.818 5.264 . 0 0 "[ . 1 .]" 1
143 1 59 ILE HA 1 61 SER H . . 4.990 4.391 4.054 4.765 . 0 0 "[ . 1 .]" 1
144 1 59 ILE HA 1 62 VAL H . . 5.250 3.766 3.496 4.092 . 0 0 "[ . 1 .]" 1
145 1 58 PHE QD 1 59 ILE HA . . 4.600 4.332 3.876 4.622 0.022 14 0 "[ . 1 .]" 1
146 1 59 ILE HA 1 59 ILE HG12 . . 3.720 2.723 2.564 2.860 . 0 0 "[ . 1 .]" 1
147 1 59 ILE HB 1 60 GLN H . . 3.740 3.001 2.632 3.539 . 0 0 "[ . 1 .]" 1
148 1 56 LYS HA 1 59 ILE HB . . 4.260 3.696 3.319 4.158 . 0 0 "[ . 1 .]" 1
149 1 58 PHE QD 1 59 ILE HG12 . . 4.630 3.844 3.252 4.171 . 0 0 "[ . 1 .]" 1
150 1 58 PHE QD 1 59 ILE HG13 . . 4.630 3.186 2.674 3.431 . 0 0 "[ . 1 .]" 1
151 1 59 ILE HA 1 59 ILE HG13 . . 3.720 2.961 2.855 3.060 . 0 0 "[ . 1 .]" 1
152 1 25 PHE QE 1 59 ILE MG . . 4.850 4.444 3.567 4.874 0.024 13 0 "[ . 1 .]" 1
153 1 55 HIS HB3 1 59 ILE MD . . 4.160 3.255 2.902 3.542 . 0 0 "[ . 1 .]" 1
154 1 56 LYS HA 1 59 ILE MD . . 4.050 3.211 2.795 3.525 . 0 0 "[ . 1 .]" 1
155 1 59 ILE HB 1 59 ILE MD . . 3.160 2.341 2.287 2.378 . 0 0 "[ . 1 .]" 1
156 1 9 LEU MD1 1 59 ILE MD . . 3.570 2.508 2.281 2.761 . 0 0 "[ . 1 .]" 1
157 1 25 PHE QD 1 59 ILE MD . . 4.050 3.303 2.891 3.516 . 0 0 "[ . 1 .]" 1
158 1 25 PHE QE 1 59 ILE MD . . 4.310 2.788 2.350 3.230 . 0 0 "[ . 1 .]" 1
159 1 59 ILE H 1 59 ILE MD . . 4.090 3.334 3.193 3.455 . 0 0 "[ . 1 .]" 1
160 1 57 ASN HA 1 60 GLN QB . . 3.280 2.474 2.187 2.967 . 0 0 "[ . 1 .]" 1
161 1 54 PHE HA 1 57 ASN HB3 . . 4.790 3.571 3.191 3.829 . 0 0 "[ . 1 .]" 1
162 1 54 PHE HA 1 57 ASN HB2 . . 4.790 4.199 4.046 4.351 . 0 0 "[ . 1 .]" 1
163 1 56 LYS HB3 1 57 ASN HB3 . . 5.500 5.031 4.743 5.201 . 0 0 "[ . 1 .]" 1
164 1 57 ASN HB3 1 60 GLN QB . . 5.500 5.153 4.940 5.429 . 0 0 "[ . 1 .]" 1
165 1 56 LYS HA 1 56 LYS HG2 . . 3.920 2.979 2.696 3.479 . 0 0 "[ . 1 .]" 1
166 1 29 VAL HB 1 30 GLN H . . 3.610 2.678 2.417 2.919 . 0 0 "[ . 1 .]" 1
167 1 56 LYS HB3 1 56 LYS QE . . 4.110 2.521 1.941 3.796 . 0 0 "[ . 1 .]" 1
168 1 36 LYS QE 1 62 VAL HB . . 4.520 3.134 1.877 4.564 0.044 7 0 "[ . 1 .]" 1
169 1 56 LYS HB2 1 56 LYS QE . . 4.890 3.484 2.308 4.257 . 0 0 "[ . 1 .]" 1
170 1 56 LYS H 1 56 LYS HG3 . . 5.300 4.493 4.371 4.634 . 0 0 "[ . 1 .]" 1
171 1 55 HIS HA 1 57 ASN H . . 4.260 4.266 4.160 4.308 0.048 2 0 "[ . 1 .]" 1
172 1 54 PHE QD 1 55 HIS HA . . 4.610 3.974 3.442 4.601 . 0 0 "[ . 1 .]" 1
173 1 55 HIS HA 1 58 PHE HB3 . . 3.010 2.409 2.304 2.654 . 0 0 "[ . 1 .]" 1
174 1 55 HIS HA 1 58 PHE HB2 . . 3.130 2.890 2.710 3.146 0.016 4 0 "[ . 1 .]" 1
175 1 52 CYS H 1 55 HIS HB2 . . 4.470 3.085 2.883 3.231 . 0 0 "[ . 1 .]" 1
176 1 52 CYS H 1 55 HIS HB3 . . 4.740 4.416 4.117 4.630 . 0 0 "[ . 1 .]" 1
177 1 51 ILE HB 1 55 HIS HB3 . . 4.030 3.158 2.971 3.328 . 0 0 "[ . 1 .]" 1
178 1 51 ILE MG 1 55 HIS HB2 . . 4.370 4.283 4.098 4.388 0.018 7 0 "[ . 1 .]" 1
179 1 51 ILE MD 1 55 HIS HB3 . . 4.000 2.823 2.652 3.020 . 0 0 "[ . 1 .]" 1
180 1 51 ILE MD 1 55 HIS HB2 . . 4.190 3.483 3.235 3.743 . 0 0 "[ . 1 .]" 1
181 1 55 HIS HB2 1 59 ILE MD . . 5.500 4.652 4.295 4.964 . 0 0 "[ . 1 .]" 1
182 1 9 LEU MD1 1 55 HIS HB2 . . 3.600 2.749 2.577 3.191 . 0 0 "[ . 1 .]" 1
183 1 9 LEU MD1 1 55 HIS HB3 . . 3.360 2.113 2.030 2.231 . 0 0 "[ . 1 .]" 1
184 1 46 VAL HA 1 46 VAL QG . . 3.220 2.153 2.115 2.298 . 0 0 "[ . 1 .]" 1
185 1 54 PHE HA 1 54 PHE QE . . 4.590 4.607 4.493 4.656 0.066 11 0 "[ . 1 .]" 1
186 1 54 PHE HB2 1 55 HIS H . . 4.340 3.570 3.433 3.743 . 0 0 "[ . 1 .]" 1
187 1 54 PHE HB3 1 55 HIS H . . 4.340 2.383 2.312 2.513 . 0 0 "[ . 1 .]" 1
188 1 53 ASP HA 1 56 LYS HB3 . . 3.230 2.363 2.032 2.806 . 0 0 "[ . 1 .]" 1
189 1 53 ASP HA 1 56 LYS HB2 . . 3.400 2.870 2.415 3.437 0.037 10 0 "[ . 1 .]" 1
190 1 53 ASP HB3 1 54 PHE H . . 4.560 3.609 2.963 4.130 . 0 0 "[ . 1 .]" 1
191 1 21 GLY H 1 52 CYS HA . . 3.290 3.122 2.663 3.418 0.128 12 0 "[ . 1 .]" 1
192 1 20 ALA HA 1 52 CYS HA . . 3.100 2.145 1.925 2.321 . 0 0 "[ . 1 .]" 1
193 1 52 CYS HB3 1 53 ASP H . . 4.100 3.882 3.615 4.091 . 0 0 "[ . 1 .]" 1
194 1 7 CYS H 1 52 CYS HB3 . . 4.320 3.367 3.240 3.433 . 0 0 "[ . 1 .]" 1
195 1 7 CYS H 1 52 CYS HB2 . . 4.970 4.968 4.719 5.028 0.058 13 0 "[ . 1 .]" 1
196 1 18 ARG HB2 1 52 CYS HB3 . . 3.930 2.356 2.228 2.576 . 0 0 "[ . 1 .]" 1
197 1 18 ARG HB2 1 52 CYS HB2 . . 4.010 2.800 2.589 2.984 . 0 0 "[ . 1 .]" 1
198 1 18 ARG HB3 1 52 CYS HB2 . . 4.170 2.391 2.163 2.779 . 0 0 "[ . 1 .]" 1
199 1 9 LEU H 1 51 ILE HB . . 5.210 4.720 4.538 4.920 . 0 0 "[ . 1 .]" 1
200 1 51 ILE HB 1 55 HIS HB2 . . 3.920 2.940 2.786 3.029 . 0 0 "[ . 1 .]" 1
201 1 9 LEU MD1 1 51 ILE HB . . 3.710 2.553 2.255 3.270 . 0 0 "[ . 1 .]" 1
202 1 51 ILE MG 1 52 CYS H . . 4.190 3.873 3.744 3.971 . 0 0 "[ . 1 .]" 1
203 1 50 TYR HA 1 51 ILE MG . . 4.240 3.586 3.498 3.709 . 0 0 "[ . 1 .]" 1
204 1 25 PHE HB3 1 51 ILE MG . . 3.760 3.622 3.346 3.792 0.032 5 0 "[ . 1 .]" 1
205 1 51 ILE MG 1 55 HIS HB3 . . 4.000 3.867 3.725 4.002 0.002 5 0 "[ . 1 .]" 1
206 1 9 LEU MD1 1 51 ILE MG . . 3.050 2.195 2.097 2.387 . 0 0 "[ . 1 .]" 1
207 1 9 LEU MD2 1 51 ILE MG . . 3.470 2.727 2.270 3.162 . 0 0 "[ . 1 .]" 1
208 1 25 PHE QD 1 42 ILE MD . . 3.590 3.002 2.605 3.223 . 0 0 "[ . 1 .]" 1
209 1 51 ILE MD 1 56 LYS H . . 4.180 3.136 3.017 3.275 . 0 0 "[ . 1 .]" 1
210 1 51 ILE MD 1 56 LYS HA . . 3.100 2.303 2.238 2.381 . 0 0 "[ . 1 .]" 1
211 1 10 ILE MD 1 15 ARG QD . . 3.900 3.408 2.593 3.947 0.047 1 0 "[ . 1 .]" 1
212 1 9 LEU MD1 1 51 ILE MD . . 3.580 2.820 2.691 3.052 . 0 0 "[ . 1 .]" 1
213 1 50 TYR HB3 1 51 ILE H . . 3.850 2.878 2.717 3.105 . 0 0 "[ . 1 .]" 1
214 1 50 TYR HB2 1 51 ILE H . . 4.610 4.109 3.998 4.265 . 0 0 "[ . 1 .]" 1
215 1 20 ALA MB 1 50 TYR HB2 . . 4.030 3.444 3.274 3.591 . 0 0 "[ . 1 .]" 1
216 1 20 ALA MB 1 50 TYR HB3 . . 3.250 2.192 2.048 2.284 . 0 0 "[ . 1 .]" 1
217 1 44 LYS HA 1 44 LYS HG3 . . 3.830 3.150 2.322 3.872 0.042 5 0 "[ . 1 .]" 1
218 1 42 ILE MG 1 44 LYS HA . . 4.220 3.691 3.339 4.044 . 0 0 "[ . 1 .]" 1
219 1 44 LYS HA 1 44 LYS HG2 . . 3.830 3.060 2.352 3.768 . 0 0 "[ . 1 .]" 1
220 1 43 ASP HA 1 44 LYS H . . 3.250 2.147 2.070 2.333 . 0 0 "[ . 1 .]" 1
221 1 10 ILE MD 1 43 ASP HA . . 3.610 2.786 2.311 3.416 . 0 0 "[ . 1 .]" 1
222 1 10 ILE MD 1 43 ASP HB3 . . 4.140 4.045 3.590 4.247 0.107 11 0 "[ . 1 .]" 1
223 1 10 ILE H 1 10 ILE HB . . 3.400 2.625 2.524 2.680 . 0 0 "[ . 1 .]" 1
224 1 10 ILE HB 1 41 ASP HB2 . . 3.900 3.253 2.127 3.949 0.049 6 0 "[ . 1 .]" 1
225 1 10 ILE HB 1 10 ILE MD . . 3.260 2.524 2.454 2.631 . 0 0 "[ . 1 .]" 1
226 1 9 LEU HA 1 10 ILE H . . 3.220 2.321 2.232 2.411 . 0 0 "[ . 1 .]" 1
227 1 41 ASP HB2 1 42 ILE H . . 3.770 3.771 3.639 3.849 0.079 5 0 "[ . 1 .]" 1
228 1 41 ASP HB3 1 42 ILE H . . 3.770 2.789 2.208 3.416 . 0 0 "[ . 1 .]" 1
229 1 10 ILE MG 1 41 ASP HB2 . . 4.550 3.541 2.787 3.985 . 0 0 "[ . 1 .]" 1
230 1 10 ILE HB 1 41 ASP HB3 . . 3.900 2.438 2.089 3.190 . 0 0 "[ . 1 .]" 1
231 1 10 ILE MG 1 41 ASP HB3 . . 4.550 3.164 2.893 3.837 . 0 0 "[ . 1 .]" 1
232 1 40 LEU HA 1 41 ASP H . . 3.150 2.143 2.090 2.222 . 0 0 "[ . 1 .]" 1
233 1 40 LEU HB3 1 41 ASP H . . 4.740 3.840 3.268 4.433 . 0 0 "[ . 1 .]" 1
234 1 40 LEU HB2 1 41 ASP H . . 4.740 4.489 4.275 4.613 . 0 0 "[ . 1 .]" 1
235 1 40 LEU HB3 1 58 PHE QD . . 5.500 5.541 5.398 5.667 0.167 13 0 "[ . 1 .]" 1
236 1 40 LEU HB2 1 58 PHE QD . . 5.500 5.330 4.543 5.634 0.134 14 0 "[ . 1 .]" 1
237 1 15 ARG H 1 15 ARG HG3 . . 4.700 4.558 4.326 4.753 0.053 12 0 "[ . 1 .]" 1
238 1 40 LEU MD1 1 58 PHE QE . . 4.560 2.658 2.331 3.166 . 0 0 "[ . 1 .]" 1
239 1 40 LEU MD2 1 58 PHE QD . . 4.460 2.902 2.363 3.505 . 0 0 "[ . 1 .]" 1
240 1 11 GLU QG 1 40 LEU MD2 . . 4.480 2.923 2.189 4.502 0.022 7 0 "[ . 1 .]" 1
241 1 9 LEU MD1 1 40 LEU MD2 . . 3.570 2.401 2.098 3.087 . 0 0 "[ . 1 .]" 1
242 1 9 LEU MD2 1 40 LEU MD2 . . 3.800 2.945 2.047 3.621 . 0 0 "[ . 1 .]" 1
243 1 10 ILE HG13 1 15 ARG QD . . 3.950 3.370 2.796 3.962 0.012 1 0 "[ . 1 .]" 1
244 1 42 ILE HA 1 42 ILE HG13 . . 4.150 3.836 3.806 3.870 . 0 0 "[ . 1 .]" 1
245 1 10 ILE H 1 10 ILE HG13 . . 4.010 3.170 3.007 3.425 . 0 0 "[ . 1 .]" 1
246 1 10 ILE H 1 10 ILE HG12 . . 4.800 4.071 3.837 4.284 . 0 0 "[ . 1 .]" 1
247 1 46 VAL HB 1 48 HIS HE2 . . 3.450 3.446 3.224 3.536 0.086 9 0 "[ . 1 .]" 1
248 1 29 VAL HA 1 29 VAL MG2 . . 3.150 2.423 2.379 2.502 . 0 0 "[ . 1 .]" 1
249 1 29 VAL MG2 1 30 GLN H . . 4.580 3.882 3.697 4.032 . 0 0 "[ . 1 .]" 1
250 1 51 ILE HA 1 55 HIS HB2 . . 4.960 4.585 4.438 4.713 . 0 0 "[ . 1 .]" 1
251 1 9 LEU MD1 1 51 ILE HA . . 4.620 3.917 3.528 4.664 0.044 8 0 "[ . 1 .]" 1
252 1 10 ILE MG 1 13 GLY HA2 . . 3.650 2.350 2.221 2.456 . 0 0 "[ . 1 .]" 1
253 1 10 ILE MG 1 13 GLY HA3 . . 4.210 3.648 3.568 3.748 . 0 0 "[ . 1 .]" 1
254 1 5 GLN HA 1 5 GLN QG . . 3.440 2.591 2.024 3.540 0.100 7 0 "[ . 1 .]" 1
255 1 5 GLN H 1 5 GLN HB2 . . 3.920 2.716 2.230 3.818 . 0 0 "[ . 1 .]" 1
256 1 5 GLN H 1 5 GLN QG . . 4.120 3.381 2.041 4.112 . 0 0 "[ . 1 .]" 1
257 1 5 GLN QG 1 50 TYR QD . . 4.290 4.141 3.661 4.382 0.092 2 0 "[ . 1 .]" 1
258 1 6 SER QB 1 7 CYS HB3 . . 4.510 4.212 4.027 4.371 . 0 0 "[ . 1 .]" 1
259 1 7 CYS HA 1 20 ALA MB . . 3.710 3.025 2.820 3.384 . 0 0 "[ . 1 .]" 1
260 1 7 CYS HA 1 52 CYS H . . 4.460 3.149 2.926 3.361 . 0 0 "[ . 1 .]" 1
261 1 7 CYS HB2 1 52 CYS H . . 3.700 2.710 2.568 2.826 . 0 0 "[ . 1 .]" 1
262 1 7 CYS HB3 1 52 CYS H . . 4.550 3.941 3.822 4.067 . 0 0 "[ . 1 .]" 1
263 1 7 CYS H 1 7 CYS HB3 . . 3.370 2.710 2.605 2.803 . 0 0 "[ . 1 .]" 1
264 1 7 CYS H 1 7 CYS HB2 . . 3.360 2.068 2.007 2.129 . 0 0 "[ . 1 .]" 1
265 1 7 CYS HB2 1 51 ILE HA . . 4.510 3.623 3.486 3.830 . 0 0 "[ . 1 .]" 1
266 1 7 CYS HB3 1 51 ILE HA . . 4.940 4.257 4.201 4.328 . 0 0 "[ . 1 .]" 1
267 1 7 CYS HB2 1 18 ARG HB2 . . 4.730 3.093 2.704 3.260 . 0 0 "[ . 1 .]" 1
268 1 8 CYS HA 1 48 HIS HE2 . . 3.740 3.154 2.438 3.630 . 0 0 "[ . 1 .]" 1
269 1 8 CYS HB2 1 48 HIS HE2 . . 3.960 2.545 2.121 3.486 . 0 0 "[ . 1 .]" 1
270 1 8 CYS HB3 1 48 HIS HE2 . . 3.960 3.336 2.150 3.965 0.005 6 0 "[ . 1 .]" 1
271 1 9 LEU HB2 1 10 ILE H . . 4.250 3.666 3.386 3.817 . 0 0 "[ . 1 .]" 1
272 1 9 LEU HB2 1 9 LEU MD1 . . 3.510 2.331 2.268 2.425 . 0 0 "[ . 1 .]" 1
273 1 9 LEU HG 1 42 ILE MD . . 4.540 3.697 3.155 4.189 . 0 0 "[ . 1 .]" 1
274 1 9 LEU H 1 9 LEU HG . . 3.830 2.519 2.276 2.796 . 0 0 "[ . 1 .]" 1
275 1 9 LEU H 1 9 LEU MD1 . . 3.940 3.588 3.403 3.900 . 0 0 "[ . 1 .]" 1
276 1 9 LEU MD1 1 25 PHE QE . . 4.780 3.529 2.947 4.294 . 0 0 "[ . 1 .]" 1
277 1 9 LEU HA 1 9 LEU MD1 . . 4.530 3.855 3.746 3.921 . 0 0 "[ . 1 .]" 1
278 1 9 LEU HB3 1 9 LEU MD1 . . 3.510 2.425 2.302 2.552 . 0 0 "[ . 1 .]" 1
279 1 9 LEU MD2 1 10 ILE H . . 3.910 3.314 3.025 3.631 . 0 0 "[ . 1 .]" 1
280 1 9 LEU HA 1 9 LEU MD2 . . 3.290 2.156 2.106 2.206 . 0 0 "[ . 1 .]" 1
281 1 9 LEU MD2 1 40 LEU MD1 . . 3.800 3.230 2.527 3.813 0.013 6 0 "[ . 1 .]" 1
282 1 9 LEU MD2 1 59 ILE MD . . 4.170 3.352 3.063 3.862 . 0 0 "[ . 1 .]" 1
283 1 9 LEU MD2 1 42 ILE MD . . 3.450 1.927 1.895 1.966 . 0 0 "[ . 1 .]" 1
284 1 10 ILE HA 1 11 GLU H . . 2.780 2.249 2.186 2.307 . 0 0 "[ . 1 .]" 1
285 1 42 ILE HA 1 42 ILE MD . . 3.540 2.118 2.069 2.180 . 0 0 "[ . 1 .]" 1
286 1 9 LEU MD2 1 42 ILE HA . . 3.750 3.496 3.278 3.621 . 0 0 "[ . 1 .]" 1
287 1 42 ILE HA 1 42 ILE HG12 . . 4.150 3.177 3.015 3.272 . 0 0 "[ . 1 .]" 1
288 1 9 LEU HA 1 10 ILE HB . . 4.670 4.348 4.208 4.481 . 0 0 "[ . 1 .]" 1
289 1 42 ILE H 1 42 ILE MG . . 3.910 3.918 3.891 3.938 0.028 14 0 "[ . 1 .]" 1
290 1 9 LEU HA 1 42 ILE MG . . 4.280 4.250 3.915 4.346 0.066 11 0 "[ . 1 .]" 1
291 1 51 ILE MD 1 59 ILE H . . 4.910 4.813 4.669 4.965 0.055 12 0 "[ . 1 .]" 1
292 1 11 GLU HA 1 11 GLU QG . . 3.330 2.085 1.985 2.195 . 0 0 "[ . 1 .]" 1
293 1 10 ILE H 1 11 GLU HB2 . . 4.700 4.645 4.455 4.742 0.042 8 0 "[ . 1 .]" 1
294 1 12 ASP HA 1 13 GLY H . . 3.190 3.206 3.104 3.357 0.167 4 0 "[ . 1 .]" 1
295 1 15 ARG HA 1 15 ARG QD . . 3.350 2.409 2.058 2.676 . 0 0 "[ . 1 .]" 1
296 1 10 ILE HG13 1 15 ARG HA . . 4.310 3.682 3.391 3.986 . 0 0 "[ . 1 .]" 1
297 1 28 ARG HB2 1 28 ARG QD . . 3.660 2.787 2.303 3.333 . 0 0 "[ . 1 .]" 1
298 1 15 ARG H 1 15 ARG HG2 . . 4.700 4.540 4.219 4.789 0.089 15 0 "[ . 1 .]" 1
299 1 10 ILE HG12 1 15 ARG QD . . 3.790 2.770 2.263 3.269 . 0 0 "[ . 1 .]" 1
300 1 15 ARG QD 1 43 ASP HB3 . . 4.400 3.539 2.359 4.429 0.029 11 0 "[ . 1 .]" 1
301 1 15 ARG QD 1 16 CYS H . . 3.930 2.838 2.401 3.277 . 0 0 "[ . 1 .]" 1
302 1 16 CYS HA 1 17 VAL H . . 2.980 2.100 2.040 2.148 . 0 0 "[ . 1 .]" 1
303 1 16 CYS HB2 1 55 HIS HE1 . . 3.950 2.308 2.139 2.438 . 0 0 "[ . 1 .]" 1
304 1 16 CYS HB3 1 55 HIS HE1 . . 3.950 3.592 3.340 3.768 . 0 0 "[ . 1 .]" 1
305 1 9 LEU HB2 1 16 CYS HB2 . . 5.170 3.398 3.021 3.704 . 0 0 "[ . 1 .]" 1
306 1 9 LEU HB2 1 16 CYS HB3 . . 5.170 3.058 2.906 3.295 . 0 0 "[ . 1 .]" 1
307 1 9 LEU HB3 1 16 CYS HB3 . . 5.170 4.461 4.289 4.704 . 0 0 "[ . 1 .]" 1
308 1 9 LEU HB3 1 16 CYS HB2 . . 5.170 4.325 3.940 4.807 . 0 0 "[ . 1 .]" 1
309 1 7 CYS HB3 1 18 ARG HB2 . . 4.450 3.987 3.548 4.300 . 0 0 "[ . 1 .]" 1
310 1 57 ASN HA 1 60 GLN H . . 4.250 3.400 3.256 3.519 . 0 0 "[ . 1 .]" 1
311 1 18 ARG HA 1 19 PRO HD2 . . 3.170 2.413 2.364 2.477 . 0 0 "[ . 1 .]" 1
312 1 18 ARG HB2 1 18 ARG HD2 . . 4.000 2.744 2.306 3.758 . 0 0 "[ . 1 .]" 1
313 1 19 PRO HB3 1 20 ALA H . . 4.350 3.915 3.788 4.039 . 0 0 "[ . 1 .]" 1
314 1 6 SER HA 1 19 PRO HA . . 3.730 2.420 2.290 2.573 . 0 0 "[ . 1 .]" 1
315 1 20 ALA HA 1 52 CYS H . . 4.840 4.133 3.733 4.439 . 0 0 "[ . 1 .]" 1
316 1 20 ALA HA 1 21 GLY HA2 . . 4.870 4.511 4.455 4.594 . 0 0 "[ . 1 .]" 1
317 1 7 CYS HA 1 20 ALA HA . . 4.620 4.393 3.959 4.653 0.033 7 0 "[ . 1 .]" 1
318 1 20 ALA HA 1 53 ASP H . . 4.790 4.021 3.638 4.490 . 0 0 "[ . 1 .]" 1
319 1 20 ALA MB 1 50 TYR QD . . 4.300 2.822 2.448 3.103 . 0 0 "[ . 1 .]" 1
320 1 20 ALA MB 1 51 ILE HA . . 4.510 3.783 3.558 4.097 . 0 0 "[ . 1 .]" 1
321 1 20 ALA MB 1 52 CYS HA . . 4.130 3.607 3.396 3.830 . 0 0 "[ . 1 .]" 1
322 1 20 ALA MB 1 52 CYS HB3 . . 4.650 4.311 4.018 4.587 . 0 0 "[ . 1 .]" 1
323 1 5 GLN QG 1 20 ALA MB . . 3.810 2.824 2.085 3.818 0.008 15 0 "[ . 1 .]" 1
324 1 23 ALA MB 1 24 SER H . . 3.720 3.076 2.792 3.313 . 0 0 "[ . 1 .]" 1
325 1 23 ALA MB 1 51 ILE H . . 4.890 3.332 3.148 3.561 . 0 0 "[ . 1 .]" 1
326 1 23 ALA MB 1 56 LYS HA . . 4.250 3.762 3.605 4.055 . 0 0 "[ . 1 .]" 1
327 1 23 ALA MB 1 56 LYS QE . . 4.000 3.650 1.805 4.039 0.039 4 0 "[ . 1 .]" 1
328 1 23 ALA MB 1 51 ILE HB . . 4.530 4.138 4.040 4.241 . 0 0 "[ . 1 .]" 1
329 1 23 ALA MB 1 56 LYS HB3 . . 4.700 3.397 3.147 3.502 . 0 0 "[ . 1 .]" 1
330 1 23 ALA MB 1 51 ILE MD . . 3.410 2.397 2.261 2.490 . 0 0 "[ . 1 .]" 1
331 1 24 SER HA 1 25 PHE HB3 . . 5.180 4.805 4.648 4.996 . 0 0 "[ . 1 .]" 1
332 1 24 SER HA 1 51 ILE HG13 . . 4.790 4.773 4.583 4.831 0.041 3 0 "[ . 1 .]" 1
333 1 24 SER HA 1 51 ILE MG . . 4.140 3.217 2.956 3.674 . 0 0 "[ . 1 .]" 1
334 1 24 SER H 1 24 SER HB2 . . 4.120 3.867 3.729 4.013 . 0 0 "[ . 1 .]" 1
335 1 24 SER H 1 24 SER HB3 . . 4.120 3.532 3.380 3.704 . 0 0 "[ . 1 .]" 1
336 1 24 SER HB3 1 50 TYR HA . . 4.440 3.358 2.948 3.857 . 0 0 "[ . 1 .]" 1
337 1 24 SER HB2 1 50 TYR HA . . 4.440 3.918 3.806 4.058 . 0 0 "[ . 1 .]" 1
338 1 24 SER HB2 1 49 LEU HB2 . . 4.420 3.413 3.112 3.765 . 0 0 "[ . 1 .]" 1
339 1 25 PHE HB2 1 49 LEU HB3 . . 4.290 3.834 3.609 4.043 . 0 0 "[ . 1 .]" 1
340 1 25 PHE HB3 1 49 LEU HB3 . . 3.790 2.598 2.376 2.844 . 0 0 "[ . 1 .]" 1
341 1 25 PHE HB3 1 49 LEU HB2 . . 4.480 4.255 4.058 4.491 0.011 2 0 "[ . 1 .]" 1
342 1 25 PHE HB2 1 49 LEU HB2 . . 5.500 5.279 5.046 5.496 . 0 0 "[ . 1 .]" 1
343 1 25 PHE HB2 1 51 ILE MG . . 3.290 2.209 2.047 2.380 . 0 0 "[ . 1 .]" 1
344 1 25 PHE HB2 1 49 LEU QD . . 5.410 4.208 3.775 4.858 . 0 0 "[ . 1 .]" 1
345 1 25 PHE HB2 1 42 ILE MD . . 4.270 4.011 3.595 4.279 0.009 8 0 "[ . 1 .]" 1
346 1 25 PHE HB2 1 51 ILE MD . . 4.780 3.905 3.433 4.241 . 0 0 "[ . 1 .]" 1
347 1 25 PHE HB3 1 42 ILE MD . . 4.250 3.939 3.510 4.268 0.018 8 0 "[ . 1 .]" 1
348 1 25 PHE HB3 1 49 LEU QD . . 3.540 2.836 2.391 3.550 0.010 12 0 "[ . 1 .]" 1
349 1 9 LEU MD2 1 25 PHE HB3 . . 4.730 4.643 4.206 4.829 0.099 2 0 "[ . 1 .]" 1
350 1 9 LEU MD2 1 25 PHE HB2 . . 4.700 3.771 3.212 4.200 . 0 0 "[ . 1 .]" 1
351 1 25 PHE QD 1 49 LEU HB3 . . 4.790 4.202 3.954 4.520 . 0 0 "[ . 1 .]" 1
352 1 54 PHE H 1 54 PHE QD . . 4.490 4.041 3.814 4.185 . 0 0 "[ . 1 .]" 1
353 1 25 PHE QE 1 30 GLN HA . . 4.950 3.783 2.824 4.140 . 0 0 "[ . 1 .]" 1
354 1 48 HIS HB2 1 50 TYR QE . . 4.290 3.807 3.416 4.213 . 0 0 "[ . 1 .]" 1
355 1 25 PHE HZ 1 30 GLN QG . . 4.520 2.897 2.325 4.542 0.022 8 0 "[ . 1 .]" 1
356 1 26 SER HA 1 49 LEU QD . . 3.720 2.975 2.691 3.343 . 0 0 "[ . 1 .]" 1
357 1 27 LYS HA 1 30 GLN H . . 4.010 3.503 3.171 3.677 . 0 0 "[ . 1 .]" 1
358 1 27 LYS HA 1 27 LYS HG3 . . 3.980 3.088 2.402 3.821 . 0 0 "[ . 1 .]" 1
359 1 28 ARG HB3 1 28 ARG QD . . 3.660 2.504 2.263 3.348 . 0 0 "[ . 1 .]" 1
360 1 29 VAL HA 1 32 SER HB2 . . 3.760 3.309 2.579 3.687 . 0 0 "[ . 1 .]" 1
361 1 29 VAL HA 1 32 SER HB3 . . 4.010 3.633 3.028 4.014 0.004 14 0 "[ . 1 .]" 1
362 1 29 VAL HA 1 29 VAL MG1 . . 3.150 2.384 2.321 2.468 . 0 0 "[ . 1 .]" 1
363 1 26 SER H 1 29 VAL HB . . 3.570 3.535 2.443 3.693 0.123 2 0 "[ . 1 .]" 1
364 1 25 PHE HA 1 29 VAL MG1 . . 3.980 3.291 2.817 3.712 . 0 0 "[ . 1 .]" 1
365 1 29 VAL H 1 29 VAL MG1 . . 4.440 3.774 3.736 3.817 . 0 0 "[ . 1 .]" 1
366 1 29 VAL MG1 1 30 GLN H . . 4.580 3.569 3.263 3.783 . 0 0 "[ . 1 .]" 1
367 1 30 GLN HA 1 30 GLN QG . . 3.420 2.464 2.294 3.351 . 0 0 "[ . 1 .]" 1
368 1 30 GLN HA 1 33 ILE H . . 4.390 3.558 3.190 3.785 . 0 0 "[ . 1 .]" 1
369 1 29 VAL H 1 30 GLN QG . . 4.830 4.250 3.996 4.443 . 0 0 "[ . 1 .]" 1
370 1 31 LYS HA 1 31 LYS QD . . 3.940 3.350 2.155 4.072 0.132 8 0 "[ . 1 .]" 1
371 1 27 LYS HA 1 27 LYS QD . . 3.800 3.060 2.174 3.976 0.176 7 0 "[ . 1 .]" 1
372 1 33 ILE HB 1 34 SER H . . 4.000 2.492 2.355 2.715 . 0 0 "[ . 1 .]" 1
373 1 30 GLN HA 1 33 ILE HB . . 4.000 2.977 2.604 3.431 . 0 0 "[ . 1 .]" 1
374 1 30 GLN QG 1 33 ILE HB . . 5.090 4.750 4.101 5.160 0.070 8 0 "[ . 1 .]" 1
375 1 33 ILE MG 1 38 LEU HB2 . . 3.420 2.076 1.982 2.234 . 0 0 "[ . 1 .]" 1
376 1 33 ILE MG 1 38 LEU HA . . 5.070 4.534 4.104 4.814 . 0 0 "[ . 1 .]" 1
377 1 33 ILE MG 1 40 LEU H . . 4.290 3.484 3.121 3.710 . 0 0 "[ . 1 .]" 1
378 1 25 PHE QE 1 33 ILE MG . . 4.590 4.316 3.991 4.570 . 0 0 "[ . 1 .]" 1
379 1 33 ILE MG 1 34 SER H . . 4.440 3.400 3.216 3.585 . 0 0 "[ . 1 .]" 1
380 1 30 GLN HA 1 33 ILE MD . . 3.610 2.760 2.072 3.625 0.015 7 0 "[ . 1 .]" 1
381 1 30 GLN QG 1 33 ILE MD . . 4.590 3.854 3.176 4.670 0.080 8 0 "[ . 1 .]" 1
382 1 33 ILE HA 1 33 ILE MD . . 3.990 3.855 3.700 3.938 . 0 0 "[ . 1 .]" 1
383 1 33 ILE H 1 33 ILE MD . . 4.180 3.510 3.230 3.818 . 0 0 "[ . 1 .]" 1
384 1 25 PHE QE 1 33 ILE MD . . 3.260 2.044 1.967 2.098 . 0 0 "[ . 1 .]" 1
385 1 33 ILE HA 1 33 ILE HG13 . . 4.220 3.014 2.814 3.301 . 0 0 "[ . 1 .]" 1
386 1 33 ILE HA 1 33 ILE HG12 . . 4.220 2.569 2.412 2.725 . 0 0 "[ . 1 .]" 1
387 1 35 GLN H 1 35 GLN HB2 . . 4.170 2.403 2.243 3.567 . 0 0 "[ . 1 .]" 1
388 1 35 GLN HB2 1 36 LYS H . . 4.400 4.034 2.756 4.397 . 0 0 "[ . 1 .]" 1
389 1 35 GLN HB3 1 36 LYS H . . 4.400 3.692 3.022 4.408 0.008 2 0 "[ . 1 .]" 1
390 1 60 GLN HA 1 60 GLN HG2 . . 3.890 2.677 2.351 3.434 . 0 0 "[ . 1 .]" 1
391 1 59 ILE MG 1 60 GLN HA . . 3.990 3.859 3.542 4.069 0.079 4 0 "[ . 1 .]" 1
392 1 38 LEU HA 1 38 LEU QD . . 2.870 2.164 2.023 2.597 . 0 0 "[ . 1 .]" 1
393 1 38 LEU H 1 38 LEU HB2 . . 3.990 2.236 2.009 2.391 . 0 0 "[ . 1 .]" 1
394 1 38 LEU HA 1 40 LEU H . . 4.640 4.406 4.243 4.703 0.063 4 0 "[ . 1 .]" 1
395 1 38 LEU HB3 1 40 LEU H . . 4.900 3.159 2.567 3.545 . 0 0 "[ . 1 .]" 1
396 1 38 LEU H 1 38 LEU HG . . 4.360 2.903 2.311 4.211 . 0 0 "[ . 1 .]" 1
397 1 65 LYS HA 1 65 LYS QG . . 3.800 2.840 2.255 3.618 . 0 0 "[ . 1 .]" 1
398 1 40 LEU MD2 1 58 PHE QE . . 4.560 2.930 2.481 3.686 . 0 0 "[ . 1 .]" 1
399 1 9 LEU MD2 1 42 ILE HG13 . . 4.870 4.305 4.149 4.469 . 0 0 "[ . 1 .]" 1
400 1 25 PHE QD 1 42 ILE MG . . 4.310 3.981 3.531 4.315 0.005 13 0 "[ . 1 .]" 1
401 1 42 ILE HA 1 43 ASP HB3 . . 4.920 4.388 4.115 4.624 . 0 0 "[ . 1 .]" 1
402 1 15 ARG QD 1 43 ASP HB2 . . 4.400 2.815 2.155 3.607 . 0 0 "[ . 1 .]" 1
403 1 51 ILE HA 1 52 CYS HA . . 5.010 4.417 4.357 4.458 . 0 0 "[ . 1 .]" 1
404 1 9 LEU MD2 1 51 ILE HB . . 4.990 4.397 4.006 4.785 . 0 0 "[ . 1 .]" 1
405 1 51 ILE HG13 1 56 LYS H . . 4.690 3.507 3.387 3.611 . 0 0 "[ . 1 .]" 1
406 1 25 PHE HA 1 51 ILE MG . . 4.120 3.444 3.187 3.778 . 0 0 "[ . 1 .]" 1
407 1 9 LEU HG 1 51 ILE MG . . 3.230 2.260 2.175 2.378 . 0 0 "[ . 1 .]" 1
408 1 8 CYS H 1 51 ILE MG . . 4.090 3.020 2.729 3.205 . 0 0 "[ . 1 .]" 1
409 1 10 ILE H 1 10 ILE MD . . 5.110 4.335 4.188 4.454 . 0 0 "[ . 1 .]" 1
410 1 10 ILE MD 1 11 GLU H . . 5.480 5.097 4.980 5.236 . 0 0 "[ . 1 .]" 1
411 1 7 CYS H 1 52 CYS HA . . 5.110 4.756 4.554 5.035 . 0 0 "[ . 1 .]" 1
412 1 7 CYS HB3 1 52 CYS HB3 . . 3.790 3.815 3.756 3.875 0.085 1 0 "[ . 1 .]" 1
413 1 20 ALA HA 1 52 CYS HB3 . . 4.260 3.653 3.325 3.904 . 0 0 "[ . 1 .]" 1
414 1 20 ALA HA 1 52 CYS HB2 . . 4.330 4.083 3.882 4.334 0.004 2 0 "[ . 1 .]" 1
415 1 53 ASP HA 1 56 LYS QE . . 4.520 3.404 2.476 4.546 0.026 10 0 "[ . 1 .]" 1
416 1 55 HIS HA 1 59 ILE H . . 4.350 3.971 3.768 4.167 . 0 0 "[ . 1 .]" 1
417 1 55 HIS HA 1 58 PHE QD . . 4.380 3.817 3.578 4.124 . 0 0 "[ . 1 .]" 1
418 1 9 LEU MD1 1 55 HIS HA . . 4.630 4.035 3.964 4.094 . 0 0 "[ . 1 .]" 1
419 1 56 LYS HB3 1 57 ASN HB2 . . 5.500 4.200 3.907 4.438 . 0 0 "[ . 1 .]" 1
420 1 57 ASN HB2 1 60 GLN QB . . 5.500 4.786 4.489 5.252 . 0 0 "[ . 1 .]" 1
421 1 38 LEU QD 1 58 PHE HB2 . . 5.500 5.435 5.189 5.566 0.066 9 0 "[ . 1 .]" 1
422 1 59 ILE HA 1 61 SER QB . . 5.090 4.897 4.470 5.124 0.034 12 0 "[ . 1 .]" 1
423 1 33 ILE HA 1 59 ILE MD . . 5.500 5.534 5.307 5.607 0.107 14 0 "[ . 1 .]" 1
424 1 32 SER HB3 1 59 ILE MG . . 3.540 2.599 2.121 2.866 . 0 0 "[ . 1 .]" 1
425 1 62 VAL HA 1 62 VAL MG1 . . 3.280 2.384 2.253 2.522 . 0 0 "[ . 1 .]" 1
426 1 59 ILE HA 1 62 VAL HB . . 5.500 4.798 3.576 5.437 . 0 0 "[ . 1 .]" 1
427 1 36 LYS QE 1 62 VAL MG2 . . 4.500 3.569 1.925 4.521 0.021 10 0 "[ . 1 .]" 1
428 1 62 VAL H 1 62 VAL MG2 . . 4.100 2.233 1.921 2.619 . 0 0 "[ . 1 .]" 1
429 1 62 VAL MG2 1 63 ARG H . . 4.430 3.179 2.486 4.219 . 0 0 "[ . 1 .]" 1
430 1 62 VAL MG1 1 63 ARG H . . 4.430 4.100 3.609 4.307 . 0 0 "[ . 1 .]" 1
431 1 63 ARG HA 1 63 ARG QD . . 3.840 3.051 2.094 3.951 0.111 2 0 "[ . 1 .]" 1
432 1 63 ARG HB2 1 63 ARG QD . . 3.570 3.154 2.267 3.620 0.050 11 0 "[ . 1 .]" 1
433 1 63 ARG HB3 1 63 ARG QD . . 3.570 2.670 2.053 3.568 . 0 0 "[ . 1 .]" 1
434 1 38 LEU QD 1 59 ILE HA . . 3.900 3.504 2.943 3.983 0.083 7 0 "[ . 1 .]" 1
435 1 38 LEU HB3 1 38 LEU QD . . 3.140 2.133 2.073 2.340 . 0 0 "[ . 1 .]" 1
436 1 29 VAL MG1 1 32 SER HB2 . . 5.500 4.208 3.818 4.439 . 0 0 "[ . 1 .]" 1
437 1 16 CYS HA 1 17 VAL MG1 . . 3.990 3.982 3.740 4.059 0.069 8 0 "[ . 1 .]" 1
438 1 33 ILE MG 1 34 SER HA . . 4.280 3.608 3.452 3.881 . 0 0 "[ . 1 .]" 1
439 1 34 SER H 1 34 SER QB . . 3.500 2.238 2.156 2.612 . 0 0 "[ . 1 .]" 1
440 1 34 SER QB 1 35 GLN H . . 4.390 2.370 2.274 2.465 . 0 0 "[ . 1 .]" 1
441 1 33 ILE HA 1 38 LEU HG . . 4.560 4.042 3.601 4.689 0.129 5 0 "[ . 1 .]" 1
442 1 51 ILE HG13 1 51 ILE MG . . 3.520 3.235 3.222 3.261 . 0 0 "[ . 1 .]" 1
443 1 7 CYS HA 1 51 ILE MG . . 4.470 3.885 3.725 4.016 . 0 0 "[ . 1 .]" 1
444 1 33 ILE MG 1 38 LEU H . . 4.220 2.948 2.708 3.203 . 0 0 "[ . 1 .]" 1
445 1 33 ILE H 1 33 ILE MG . . 4.090 3.783 3.757 3.836 . 0 0 "[ . 1 .]" 1
446 1 24 SER HA 1 50 TYR QE . . 4.930 4.982 4.930 5.047 0.117 12 0 "[ . 1 .]" 1
447 1 40 LEU HG 1 55 HIS HD2 . . 5.160 5.104 4.960 5.200 0.040 7 0 "[ . 1 .]" 1
448 1 25 PHE HZ 1 30 GLN HA . . 4.710 3.183 2.359 3.487 . 0 0 "[ . 1 .]" 1
449 1 50 TYR QD 1 51 ILE H . . 4.760 3.039 2.839 3.193 . 0 0 "[ . 1 .]" 1
450 1 55 HIS HD2 1 58 PHE QD . . 4.210 2.475 2.265 2.701 . 0 0 "[ . 1 .]" 1
451 1 50 TYR HA 1 51 ILE HG12 . . 4.220 4.144 4.002 4.250 0.030 9 0 "[ . 1 .]" 1
452 1 49 LEU HB2 1 49 LEU QD . . 3.240 2.254 2.154 2.337 . 0 0 "[ . 1 .]" 1
453 1 24 SER HB3 1 49 LEU HB2 . . 4.420 4.516 4.481 4.556 0.136 7 0 "[ . 1 .]" 1
454 1 25 PHE HB3 1 49 LEU HG . . 5.440 4.643 3.729 5.211 . 0 0 "[ . 1 .]" 1
455 1 48 HIS HB2 1 49 LEU HG . . 5.500 5.223 4.908 5.554 0.054 8 0 "[ . 1 .]" 1
456 1 19 PRO HB2 1 20 ALA H . . 4.350 3.369 3.148 3.545 . 0 0 "[ . 1 .]" 1
457 1 16 CYS HA 1 17 VAL MG2 . . 3.990 3.503 3.201 3.720 . 0 0 "[ . 1 .]" 1
458 1 9 LEU MD2 1 42 ILE MG . . 4.330 3.884 3.515 4.142 . 0 0 "[ . 1 .]" 1
459 1 24 SER HB2 1 50 TYR QE . . 5.270 5.065 4.737 5.280 0.010 12 0 "[ . 1 .]" 1
460 1 40 LEU HG 1 58 PHE QE . . 5.500 3.506 2.551 5.519 0.019 4 0 "[ . 1 .]" 1
461 1 38 LEU QD 1 58 PHE HZ . . 4.300 2.489 2.221 3.668 . 0 0 "[ . 1 .]" 1
462 1 64 ASN HB2 1 65 LYS HA . . 5.050 4.822 4.352 5.198 0.148 15 0 "[ . 1 .]" 1
463 1 64 ASN HB3 1 65 LYS HA . . 5.050 4.558 4.092 4.964 . 0 0 "[ . 1 .]" 1
464 1 3 TYR HB3 1 4 GLY H . . 5.140 3.715 2.632 4.667 . 0 0 "[ . 1 .]" 1
465 1 3 TYR HA 1 3 TYR QD . . 3.600 2.730 2.308 3.712 0.112 12 0 "[ . 1 .]" 1
466 1 5 GLN HA 1 6 SER H . . 3.050 2.246 2.071 2.521 . 0 0 "[ . 1 .]" 1
467 1 5 GLN HB3 1 6 SER H . . 4.740 4.070 2.766 4.413 . 0 0 "[ . 1 .]" 1
468 1 6 SER H 1 6 SER QB . . 3.520 3.082 2.803 3.219 . 0 0 "[ . 1 .]" 1
469 1 7 CYS HA 1 48 HIS HE1 . . 5.500 5.144 4.857 5.475 . 0 0 "[ . 1 .]" 1
470 1 9 LEU H 1 9 LEU HB2 . . 4.080 2.400 2.279 2.575 . 0 0 "[ . 1 .]" 1
471 1 9 LEU H 1 9 LEU HB3 . . 4.080 3.597 3.563 3.648 . 0 0 "[ . 1 .]" 1
472 1 9 LEU MD2 1 25 PHE QE . . 4.480 2.679 2.407 3.496 . 0 0 "[ . 1 .]" 1
473 1 9 LEU MD2 1 25 PHE HZ . . 5.120 3.666 3.075 4.178 . 0 0 "[ . 1 .]" 1
474 1 10 ILE HA 1 10 ILE MD . . 4.230 3.838 3.781 3.891 . 0 0 "[ . 1 .]" 1
475 1 10 ILE MD 1 13 GLY HA2 . . 4.840 4.082 3.987 4.180 . 0 0 "[ . 1 .]" 1
476 1 10 ILE MD 1 15 ARG HA . . 4.570 3.695 3.386 3.892 . 0 0 "[ . 1 .]" 1
477 1 10 ILE HA 1 10 ILE HG13 . . 3.830 3.123 2.960 3.274 . 0 0 "[ . 1 .]" 1
478 1 10 ILE HA 1 10 ILE HG12 . . 4.030 2.470 2.390 2.550 . 0 0 "[ . 1 .]" 1
479 1 11 GLU HB3 1 55 HIS HE1 . . 5.500 4.079 3.832 4.631 . 0 0 "[ . 1 .]" 1
480 1 11 GLU HA 1 12 ASP H . . 3.200 2.001 1.921 2.088 . 0 0 "[ . 1 .]" 1
481 1 15 ARG H 1 15 ARG HB2 . . 3.570 2.611 2.242 3.014 . 0 0 "[ . 1 .]" 1
482 1 15 ARG H 1 15 ARG HB3 . . 3.570 2.610 2.344 2.834 . 0 0 "[ . 1 .]" 1
483 1 15 ARG HA 1 16 CYS H . . 3.100 2.162 2.112 2.227 . 0 0 "[ . 1 .]" 1
484 1 16 CYS H 1 16 CYS HB2 . . 3.580 2.176 2.057 2.302 . 0 0 "[ . 1 .]" 1
485 1 16 CYS H 1 16 CYS HB3 . . 3.580 2.698 2.591 2.908 . 0 0 "[ . 1 .]" 1
486 1 18 ARG H 1 18 ARG HB3 . . 4.140 3.558 3.506 3.596 . 0 0 "[ . 1 .]" 1
487 1 18 ARG HA 1 19 PRO HD3 . . 3.170 2.468 2.403 2.549 . 0 0 "[ . 1 .]" 1
488 1 6 SER QB 1 20 ALA H . . 3.820 3.847 3.748 3.922 0.102 8 0 "[ . 1 .]" 1
489 1 20 ALA H 1 20 ALA MB . . 3.040 2.292 2.247 2.372 . 0 0 "[ . 1 .]" 1
490 1 20 ALA MB 1 48 HIS HE1 . . 4.960 4.324 3.965 4.644 . 0 0 "[ . 1 .]" 1
491 1 22 ASN H 1 22 ASN HB2 . . 4.170 2.601 2.337 3.591 . 0 0 "[ . 1 .]" 1
492 1 22 ASN H 1 22 ASN HB3 . . 4.170 3.320 2.390 3.621 . 0 0 "[ . 1 .]" 1
493 1 23 ALA H 1 23 ALA MB . . 3.110 2.541 2.205 2.777 . 0 0 "[ . 1 .]" 1
494 1 24 SER HA 1 50 TYR HA . . 3.410 2.323 2.066 2.572 . 0 0 "[ . 1 .]" 1
495 1 25 PHE HA 1 25 PHE QD . . 3.940 2.566 2.191 2.832 . 0 0 "[ . 1 .]" 1
496 1 9 LEU MD2 1 25 PHE QD . . 3.810 2.824 2.352 3.347 . 0 0 "[ . 1 .]" 1
497 1 25 PHE QD 1 51 ILE MG . . 3.790 2.437 2.217 3.021 . 0 0 "[ . 1 .]" 1
498 1 26 SER H 1 26 SER HB2 . . 4.000 3.013 2.349 3.733 . 0 0 "[ . 1 .]" 1
499 1 26 SER H 1 26 SER HB3 . . 4.000 3.274 2.612 4.026 0.026 9 0 "[ . 1 .]" 1
500 1 27 LYS HA 1 27 LYS HG2 . . 3.980 2.969 2.180 3.819 . 0 0 "[ . 1 .]" 1
501 1 28 ARG HA 1 28 ARG HG2 . . 3.950 3.382 2.270 3.800 . 0 0 "[ . 1 .]" 1
502 1 28 ARG HA 1 28 ARG HG3 . . 3.950 3.316 2.413 3.933 . 0 0 "[ . 1 .]" 1
503 1 28 ARG HB2 1 29 VAL H . . 4.250 4.016 3.811 4.199 . 0 0 "[ . 1 .]" 1
504 1 28 ARG HB3 1 29 VAL H . . 4.250 3.505 2.772 4.284 0.034 9 0 "[ . 1 .]" 1
505 1 30 GLN H 1 30 GLN HB2 . . 3.660 2.569 2.399 3.527 . 0 0 "[ . 1 .]" 1
506 1 30 GLN H 1 30 GLN HB3 . . 3.660 3.511 2.212 3.651 . 0 0 "[ . 1 .]" 1
507 1 30 GLN H 1 30 GLN QG . . 3.830 2.258 2.061 2.532 . 0 0 "[ . 1 .]" 1
508 1 30 GLN HB2 1 31 LYS H . . 4.130 2.770 2.350 4.175 0.045 8 0 "[ . 1 .]" 1
509 1 31 LYS H 1 31 LYS HB2 . . 3.590 2.496 2.197 3.602 0.012 7 0 "[ . 1 .]" 1
510 1 31 LYS H 1 31 LYS HB3 . . 3.590 3.085 2.335 3.636 0.046 2 0 "[ . 1 .]" 1
511 1 32 SER H 1 32 SER HB2 . . 3.540 2.339 2.224 2.451 . 0 0 "[ . 1 .]" 1
512 1 33 ILE H 1 33 ILE HB . . 3.530 2.464 2.354 2.575 . 0 0 "[ . 1 .]" 1
513 1 33 ILE H 1 33 ILE HG12 . . 3.960 3.469 3.180 3.811 . 0 0 "[ . 1 .]" 1
514 1 33 ILE H 1 33 ILE HG13 . . 3.960 2.199 1.953 2.515 . 0 0 "[ . 1 .]" 1
515 1 33 ILE HA 1 33 ILE MG . . 3.350 2.467 2.367 2.583 . 0 0 "[ . 1 .]" 1
516 1 33 ILE HB 1 33 ILE MD . . 3.210 2.387 2.267 2.545 . 0 0 "[ . 1 .]" 1
517 1 35 GLN HA 1 35 GLN HG2 . . 3.950 3.101 2.343 3.826 . 0 0 "[ . 1 .]" 1
518 1 35 GLN HA 1 35 GLN HG3 . . 3.950 2.946 2.266 3.869 . 0 0 "[ . 1 .]" 1
519 1 36 LYS H 1 36 LYS HB2 . . 3.830 2.541 2.338 2.749 . 0 0 "[ . 1 .]" 1
520 1 36 LYS HA 1 36 LYS QD . . 4.000 2.956 2.133 4.109 0.109 13 0 "[ . 1 .]" 1
521 1 65 LYS HA 1 65 LYS QD . . 3.900 2.983 2.113 3.924 0.024 15 0 "[ . 1 .]" 1
522 1 37 LYS H 1 37 LYS HA . . 2.850 2.259 2.225 2.297 . 0 0 "[ . 1 .]" 1
523 1 38 LEU HA 1 38 LEU HG . . 4.130 2.985 2.207 3.714 . 0 0 "[ . 1 .]" 1
524 1 39 LYS HA 1 40 LEU H . . 3.290 2.774 2.457 3.054 . 0 0 "[ . 1 .]" 1
525 1 40 LEU HA 1 40 LEU MD2 . . 4.590 2.567 2.055 3.889 . 0 0 "[ . 1 .]" 1
526 1 40 LEU HA 1 40 LEU HG . . 4.180 2.962 2.741 3.068 . 0 0 "[ . 1 .]" 1
527 1 42 ILE H 1 42 ILE HG12 . . 4.280 2.918 2.783 3.034 . 0 0 "[ . 1 .]" 1
528 1 42 ILE H 1 42 ILE HG13 . . 4.280 4.204 4.131 4.308 0.028 5 0 "[ . 1 .]" 1
529 1 42 ILE HA 1 42 ILE MG . . 3.210 2.400 2.335 2.464 . 0 0 "[ . 1 .]" 1
530 1 10 ILE HA 1 10 ILE MG . . 3.660 2.524 2.452 2.605 . 0 0 "[ . 1 .]" 1
531 1 43 ASP H 1 43 ASP HB2 . . 3.770 2.637 2.395 2.784 . 0 0 "[ . 1 .]" 1
532 1 43 ASP H 1 43 ASP HB3 . . 3.770 2.370 2.161 2.552 . 0 0 "[ . 1 .]" 1
533 1 44 LYS H 1 44 LYS HB2 . . 4.020 2.404 2.199 2.839 . 0 0 "[ . 1 .]" 1
534 1 44 LYS H 1 44 LYS HB3 . . 4.020 3.625 3.496 3.856 . 0 0 "[ . 1 .]" 1
535 1 44 LYS H 1 44 LYS HG2 . . 4.250 3.397 2.331 4.327 0.077 14 0 "[ . 1 .]" 1
536 1 44 LYS H 1 44 LYS HG3 . . 4.250 3.584 2.456 4.198 . 0 0 "[ . 1 .]" 1
537 1 45 SER H 1 45 SER HB2 . . 3.810 2.553 2.300 3.238 . 0 0 "[ . 1 .]" 1
538 1 48 HIS HA 1 48 HIS HD2 . . 4.070 4.033 3.976 4.091 0.021 1 0 "[ . 1 .]" 1
539 1 48 HIS HB2 1 50 TYR QD . . 4.610 2.614 2.256 2.914 . 0 0 "[ . 1 .]" 1
540 1 48 HIS HB3 1 48 HIS HD2 . . 3.890 3.634 3.533 3.710 . 0 0 "[ . 1 .]" 1
541 1 48 HIS HE1 1 50 TYR HB3 . . 4.390 4.309 4.087 4.413 0.023 11 0 "[ . 1 .]" 1
542 1 48 HIS HE1 1 50 TYR HB2 . . 4.150 3.298 3.119 3.430 . 0 0 "[ . 1 .]" 1
543 1 48 HIS HB2 1 49 LEU H . . 3.750 2.567 2.156 2.827 . 0 0 "[ . 1 .]" 1
544 1 48 HIS HB3 1 49 LEU H . . 4.160 3.917 3.632 4.054 . 0 0 "[ . 1 .]" 1
545 1 49 LEU H 1 49 LEU HG . . 4.120 2.948 2.472 3.603 . 0 0 "[ . 1 .]" 1
546 1 49 LEU HA 1 49 LEU QD . . 3.600 2.519 2.172 3.206 . 0 0 "[ . 1 .]" 1
547 1 50 TYR HA 1 50 TYR QE . . 4.300 4.267 4.148 4.331 0.031 8 0 "[ . 1 .]" 1
548 1 50 TYR HA 1 50 TYR QD . . 3.720 2.408 2.278 2.553 . 0 0 "[ . 1 .]" 1
549 1 7 CYS HA 1 51 ILE HA . . 3.500 2.074 1.980 2.181 . 0 0 "[ . 1 .]" 1
550 1 51 ILE HA 1 51 ILE MG . . 3.200 2.398 2.332 2.431 . 0 0 "[ . 1 .]" 1
551 1 51 ILE HB 1 51 ILE MD . . 3.260 2.438 2.392 2.472 . 0 0 "[ . 1 .]" 1
552 1 51 ILE HA 1 52 CYS H . . 3.290 2.335 2.252 2.417 . 0 0 "[ . 1 .]" 1
553 1 51 ILE HB 1 52 CYS H . . 3.450 2.579 2.390 2.742 . 0 0 "[ . 1 .]" 1
554 1 52 CYS H 1 52 CYS HB3 . . 3.960 2.554 2.424 2.644 . 0 0 "[ . 1 .]" 1
555 1 52 CYS HA 1 53 ASP H . . 3.070 2.359 2.234 2.468 . 0 0 "[ . 1 .]" 1
556 1 53 ASP H 1 53 ASP HB2 . . 3.600 2.842 2.086 3.587 . 0 0 "[ . 1 .]" 1
557 1 54 PHE HA 1 54 PHE QD . . 3.720 2.877 2.449 3.132 . 0 0 "[ . 1 .]" 1
558 1 54 PHE QD 1 55 HIS H . . 4.370 3.813 3.661 4.084 . 0 0 "[ . 1 .]" 1
559 1 55 HIS H 1 55 HIS HB2 . . 3.610 2.235 2.179 2.289 . 0 0 "[ . 1 .]" 1
560 1 55 HIS H 1 55 HIS HB3 . . 3.890 3.509 3.462 3.553 . 0 0 "[ . 1 .]" 1
561 1 55 HIS HA 1 55 HIS HD2 . . 3.210 2.310 2.190 2.496 . 0 0 "[ . 1 .]" 1
562 1 11 GLU HB2 1 55 HIS HE1 . . 4.790 3.290 3.040 3.711 . 0 0 "[ . 1 .]" 1
563 1 56 LYS HA 1 56 LYS HG3 . . 3.920 2.775 2.461 3.015 . 0 0 "[ . 1 .]" 1
564 1 57 ASN H 1 57 ASN HB2 . . 3.280 2.535 2.409 2.616 . 0 0 "[ . 1 .]" 1
565 1 57 ASN H 1 57 ASN HB3 . . 3.280 2.663 2.431 2.786 . 0 0 "[ . 1 .]" 1
566 1 58 PHE HA 1 58 PHE QD . . 3.820 2.334 2.212 2.550 . 0 0 "[ . 1 .]" 1
567 1 58 PHE HB2 1 59 ILE H . . 3.970 3.840 3.769 3.936 . 0 0 "[ . 1 .]" 1
568 1 59 ILE H 1 59 ILE HB . . 3.270 2.572 2.446 2.736 . 0 0 "[ . 1 .]" 1
569 1 59 ILE HA 1 59 ILE MD . . 4.050 3.938 3.860 4.002 . 0 0 "[ . 1 .]" 1
570 1 59 ILE HA 1 59 ILE MG . . 3.500 2.332 2.248 2.490 . 0 0 "[ . 1 .]" 1
571 1 60 GLN H 1 60 GLN HG2 . . 4.470 3.280 2.394 4.013 . 0 0 "[ . 1 .]" 1
572 1 60 GLN H 1 60 GLN HG3 . . 4.470 3.172 2.490 4.133 . 0 0 "[ . 1 .]" 1
573 1 62 VAL HA 1 62 VAL MG2 . . 3.280 2.996 2.388 3.275 . 0 0 "[ . 1 .]" 1
574 1 63 ARG H 1 63 ARG HB2 . . 4.060 2.493 2.249 2.873 . 0 0 "[ . 1 .]" 1
575 1 42 ILE MG 1 44 LYS QD . . 5.060 3.505 2.264 4.667 . 0 0 "[ . 1 .]" 1
576 1 10 ILE MG 1 41 ASP HA . . 5.210 5.258 5.222 5.287 0.077 1 0 "[ . 1 .]" 1
577 1 10 ILE MG 1 11 GLU HA . . 4.920 3.446 3.276 3.700 . 0 0 "[ . 1 .]" 1
578 1 3 TYR HB2 1 4 GLY H . . 5.140 4.115 3.503 4.688 . 0 0 "[ . 1 .]" 1
579 1 5 GLN HA 1 50 TYR QE . . 5.500 5.474 5.226 5.548 0.048 9 0 "[ . 1 .]" 1
580 1 5 GLN QG 1 50 TYR QE . . 4.840 4.192 3.575 4.785 . 0 0 "[ . 1 .]" 1
581 1 58 PHE HA 1 61 SER H . . 4.550 3.554 3.257 3.964 . 0 0 "[ . 1 .]" 1
582 1 6 SER HA 1 7 CYS HB2 . . 4.700 4.249 4.167 4.376 . 0 0 "[ . 1 .]" 1
583 1 6 SER QB 1 7 CYS HB2 . . 4.620 4.234 4.066 4.393 . 0 0 "[ . 1 .]" 1
584 1 7 CYS HB2 1 52 CYS HA . . 4.720 4.037 3.860 4.185 . 0 0 "[ . 1 .]" 1
585 1 48 HIS HB2 1 49 LEU HA . . 4.950 4.933 4.756 5.000 0.050 10 0 "[ . 1 .]" 1
586 1 7 CYS HB2 1 20 ALA MB . . 4.920 4.141 3.922 4.418 . 0 0 "[ . 1 .]" 1
587 1 7 CYS HB3 1 20 ALA MB . . 5.380 5.154 4.985 5.411 0.031 4 0 "[ . 1 .]" 1
588 1 9 LEU HA 1 42 ILE MD . . 4.130 2.691 2.478 2.848 . 0 0 "[ . 1 .]" 1
589 1 9 LEU HB3 1 10 ILE HA . . 5.160 4.450 4.347 4.675 . 0 0 "[ . 1 .]" 1
590 1 9 LEU MD1 1 10 ILE H . . 4.920 4.471 4.199 4.727 . 0 0 "[ . 1 .]" 1
591 1 10 ILE HA 1 16 CYS H . . 3.880 2.571 2.362 2.741 . 0 0 "[ . 1 .]" 1
592 1 10 ILE HA 1 11 GLU HB3 . . 5.050 5.018 4.755 5.102 0.052 3 0 "[ . 1 .]" 1
593 1 10 ILE HA 1 15 ARG QD . . 4.400 3.853 3.467 4.221 . 0 0 "[ . 1 .]" 1
594 1 10 ILE HB 1 40 LEU HA . . 5.450 4.663 4.395 4.869 . 0 0 "[ . 1 .]" 1
595 1 33 ILE H 1 59 ILE MG . . 4.670 3.795 3.359 4.278 . 0 0 "[ . 1 .]" 1
596 1 10 ILE MD 1 13 GLY HA3 . . 5.410 5.485 5.441 5.538 0.128 7 0 "[ . 1 .]" 1
597 1 24 SER HA 1 51 ILE MD . . 4.840 4.214 3.972 4.405 . 0 0 "[ . 1 .]" 1
598 1 25 PHE QD 1 51 ILE MD . . 4.380 3.014 2.595 3.315 . 0 0 "[ . 1 .]" 1
599 1 10 ILE MD 1 43 ASP HB2 . . 4.140 2.599 2.204 2.898 . 0 0 "[ . 1 .]" 1
600 1 41 ASP HA 1 42 ILE MD . . 4.770 4.046 3.803 4.327 . 0 0 "[ . 1 .]" 1
601 1 10 ILE HA 1 11 GLU HB2 . . 4.740 4.374 4.229 4.438 . 0 0 "[ . 1 .]" 1
602 1 10 ILE H 1 11 GLU QG . . 5.500 5.551 5.471 5.605 0.105 7 0 "[ . 1 .]" 1
603 1 11 GLU QG 1 40 LEU MD1 . . 4.480 3.893 2.377 4.529 0.049 3 0 "[ . 1 .]" 1
604 1 12 ASP HB3 1 13 GLY H . . 4.850 3.814 2.733 4.338 . 0 0 "[ . 1 .]" 1
605 1 14 GLU H 1 14 GLU HG2 . . 4.740 4.397 2.553 4.644 . 0 0 "[ . 1 .]" 1
606 1 14 GLU H 1 14 GLU HG3 . . 4.740 4.419 3.777 4.615 . 0 0 "[ . 1 .]" 1
607 1 10 ILE HG12 1 15 ARG HA . . 3.630 2.176 2.038 2.422 . 0 0 "[ . 1 .]" 1
608 1 15 ARG HB3 1 16 CYS H . . 4.870 4.449 4.275 4.549 . 0 0 "[ . 1 .]" 1
609 1 15 ARG QD 1 17 VAL MG2 . . 5.500 5.261 4.603 5.641 0.141 12 0 "[ . 1 .]" 1
610 1 10 ILE H 1 15 ARG QD . . 5.500 5.204 4.900 5.517 0.017 7 0 "[ . 1 .]" 1
611 1 6 SER QB 1 17 VAL HB . . 4.680 4.167 3.674 4.498 . 0 0 "[ . 1 .]" 1
612 1 15 ARG QD 1 17 VAL MG1 . . 5.500 3.656 2.843 4.328 . 0 0 "[ . 1 .]" 1
613 1 6 SER QB 1 17 VAL MG1 . . 5.100 4.122 3.748 4.581 . 0 0 "[ . 1 .]" 1
614 1 6 SER QB 1 17 VAL MG2 . . 5.100 4.997 4.629 5.151 0.051 3 0 "[ . 1 .]" 1
615 1 18 ARG HB2 1 18 ARG HD3 . . 4.000 2.986 2.480 3.680 . 0 0 "[ . 1 .]" 1
616 1 18 ARG HB3 1 18 ARG HD2 . . 3.700 3.146 2.529 3.743 0.043 6 0 "[ . 1 .]" 1
617 1 18 ARG HB3 1 18 ARG HD3 . . 3.700 2.572 2.229 3.626 . 0 0 "[ . 1 .]" 1
618 1 18 ARG H 1 18 ARG HD3 . . 5.370 4.729 4.163 4.990 . 0 0 "[ . 1 .]" 1
619 1 18 ARG H 1 18 ARG HD2 . . 5.370 4.203 3.729 4.918 . 0 0 "[ . 1 .]" 1
620 1 24 SER HA 1 25 PHE HB2 . . 4.790 4.065 3.910 4.238 . 0 0 "[ . 1 .]" 1
621 1 24 SER HB3 1 50 TYR QD . . 4.770 3.502 2.767 3.899 . 0 0 "[ . 1 .]" 1
622 1 25 PHE HA 1 29 VAL HB . . 3.910 3.236 2.611 3.761 . 0 0 "[ . 1 .]" 1
623 1 25 PHE QE 1 30 GLN HB3 . . 4.880 4.430 2.927 4.776 . 0 0 "[ . 1 .]" 1
624 1 27 LYS HA 1 29 VAL H . . 4.540 4.054 3.916 4.238 . 0 0 "[ . 1 .]" 1
625 1 28 ARG HA 1 29 VAL HA . . 4.910 4.827 4.739 4.898 . 0 0 "[ . 1 .]" 1
626 1 28 ARG HA 1 28 ARG QD . . 4.470 3.904 2.131 4.512 0.042 4 0 "[ . 1 .]" 1
627 1 29 VAL MG2 1 32 SER HB2 . . 5.500 4.990 4.487 5.255 . 0 0 "[ . 1 .]" 1
628 1 30 GLN HA 1 33 ILE MG . . 4.750 4.304 3.852 4.726 . 0 0 "[ . 1 .]" 1
629 1 30 GLN HB3 1 31 LYS H . . 4.130 3.573 3.151 4.016 . 0 0 "[ . 1 .]" 1
630 1 25 PHE QE 1 30 GLN QG . . 4.270 2.330 2.078 3.906 . 0 0 "[ . 1 .]" 1
631 1 27 LYS HA 1 30 GLN QG . . 4.500 2.964 2.428 3.408 . 0 0 "[ . 1 .]" 1
632 1 32 SER HA 1 59 ILE MG . . 4.880 4.879 4.452 4.983 0.103 9 0 "[ . 1 .]" 1
633 1 33 ILE MG 1 59 ILE HA . . 5.500 5.529 5.451 5.563 0.063 5 0 "[ . 1 .]" 1
634 1 32 SER HB3 1 33 ILE MG . . 5.370 5.361 5.178 5.466 0.096 14 0 "[ . 1 .]" 1
635 1 9 LEU MD2 1 33 ILE MD . . 3.920 3.287 2.637 3.752 . 0 0 "[ . 1 .]" 1
636 1 9 LEU MD1 1 33 ILE MD . . 4.110 3.718 3.103 4.126 0.016 9 0 "[ . 1 .]" 1
637 1 35 GLN H 1 35 GLN HG2 . . 5.060 4.085 2.202 4.628 . 0 0 "[ . 1 .]" 1
638 1 35 GLN H 1 35 GLN HG3 . . 5.060 4.002 2.368 4.609 . 0 0 "[ . 1 .]" 1
639 1 36 LYS HB2 1 36 LYS QE . . 4.610 3.887 2.597 4.546 . 0 0 "[ . 1 .]" 1
640 1 36 LYS HB3 1 36 LYS QE . . 4.610 3.603 2.005 4.542 . 0 0 "[ . 1 .]" 1
641 1 38 LEU QD 1 58 PHE QE . . 4.290 2.274 2.046 2.523 . 0 0 "[ . 1 .]" 1
642 1 38 LEU QD 1 58 PHE QD . . 4.510 3.216 3.004 3.486 . 0 0 "[ . 1 .]" 1
643 1 40 LEU HA 1 40 LEU MD1 . . 4.590 3.372 2.018 3.873 . 0 0 "[ . 1 .]" 1
644 1 33 ILE HA 1 38 LEU QD . . 4.150 2.768 2.064 3.185 . 0 0 "[ . 1 .]" 1
645 1 33 ILE HB 1 38 LEU QD . . 5.260 4.673 4.162 5.295 0.035 11 0 "[ . 1 .]" 1
646 1 11 GLU HB3 1 40 LEU HA . . 5.400 5.341 5.135 5.451 0.051 7 0 "[ . 1 .]" 1
647 1 9 LEU MD1 1 40 LEU MD1 . . 3.570 2.684 2.222 3.409 . 0 0 "[ . 1 .]" 1
648 1 9 LEU MD2 1 42 ILE HG12 . . 4.870 3.834 3.361 4.088 . 0 0 "[ . 1 .]" 1
649 1 42 ILE HA 1 43 ASP HB2 . . 4.920 4.594 4.302 4.801 . 0 0 "[ . 1 .]" 1
650 1 48 HIS HB3 1 50 TYR QE . . 5.500 5.093 4.724 5.525 0.025 1 0 "[ . 1 .]" 1
651 1 24 SER HA 1 50 TYR QD . . 4.690 3.641 3.328 3.819 . 0 0 "[ . 1 .]" 1
652 1 48 HIS HE1 1 50 TYR QD . . 4.860 4.042 3.701 4.355 . 0 0 "[ . 1 .]" 1
653 1 9 LEU HG 1 51 ILE HA . . 4.730 3.894 3.470 4.432 . 0 0 "[ . 1 .]" 1
654 1 24 SER HA 1 51 ILE HG12 . . 4.800 3.101 2.879 3.216 . 0 0 "[ . 1 .]" 1
655 1 18 ARG HB2 1 52 CYS HA . . 5.160 4.643 4.452 4.914 . 0 0 "[ . 1 .]" 1
656 1 53 ASP HB2 1 56 LYS HB3 . . 5.290 4.613 4.125 5.059 . 0 0 "[ . 1 .]" 1
657 1 53 ASP HB3 1 56 LYS HB3 . . 5.290 4.678 3.994 5.263 . 0 0 "[ . 1 .]" 1
658 1 51 ILE MD 1 55 HIS HA . . 5.100 4.624 4.429 4.784 . 0 0 "[ . 1 .]" 1
659 1 51 ILE MG 1 56 LYS HA . . 5.080 5.100 4.979 5.163 0.083 10 0 "[ . 1 .]" 1
660 1 54 PHE QD 1 58 PHE HB2 . . 5.170 4.351 3.403 5.047 . 0 0 "[ . 1 .]" 1
661 1 58 PHE QD 1 59 ILE H . . 4.810 3.809 3.348 4.036 . 0 0 "[ . 1 .]" 1
662 1 29 VAL HA 1 59 ILE MG . . 4.370 3.711 3.311 4.126 . 0 0 "[ . 1 .]" 1
663 1 33 ILE HA 1 59 ILE MG . . 4.050 3.898 3.677 4.060 0.010 3 0 "[ . 1 .]" 1
664 1 60 GLN QB 1 61 SER QB . . 4.540 4.280 3.986 4.625 0.085 15 0 "[ . 1 .]" 1
665 1 59 ILE H 1 60 GLN QB . . 4.790 4.697 4.522 4.866 0.076 12 0 "[ . 1 .]" 1
666 1 59 ILE MG 1 60 GLN QB . . 5.210 4.960 4.759 5.163 . 0 0 "[ . 1 .]" 1
667 1 60 GLN QB 1 61 SER HA . . 4.520 4.075 3.960 4.236 . 0 0 "[ . 1 .]" 1
668 1 36 LYS QE 1 62 VAL MG1 . . 4.500 3.240 1.930 4.520 0.020 2 0 "[ . 1 .]" 1
669 1 62 VAL H 1 62 VAL MG1 . . 4.100 2.705 1.940 3.833 . 0 0 "[ . 1 .]" 1
670 1 64 ASN HB2 1 65 LYS QB . . 5.450 5.038 4.076 5.528 0.078 1 0 "[ . 1 .]" 1
671 1 64 ASN HB2 1 65 LYS QD . . 5.420 4.810 2.680 5.456 0.036 15 0 "[ . 1 .]" 1
672 1 64 ASN HB3 1 65 LYS QD . . 5.420 4.435 3.315 5.371 . 0 0 "[ . 1 .]" 1
673 1 64 ASN HB3 1 65 LYS QB . . 5.450 4.921 4.268 5.577 0.127 9 0 "[ . 1 .]" 1
674 1 51 ILE HB 1 55 HIS H . . 5.290 4.778 4.664 4.874 . 0 0 "[ . 1 .]" 1
675 1 7 CYS HA 1 51 ILE HB . . 5.050 4.308 4.206 4.435 . 0 0 "[ . 1 .]" 1
676 1 51 ILE HB 1 56 LYS H . . 5.010 4.272 4.138 4.404 . 0 0 "[ . 1 .]" 1
677 1 11 GLU HB2 1 12 ASP H . . 5.150 4.341 4.274 4.449 . 0 0 "[ . 1 .]" 1
678 1 11 GLU HB3 1 12 ASP H . . 5.220 4.103 4.009 4.230 . 0 0 "[ . 1 .]" 1
679 1 5 GLN HA 1 20 ALA H . . 5.320 4.448 3.980 4.888 . 0 0 "[ . 1 .]" 1
680 1 6 SER HA 1 20 ALA MB . . 3.800 2.783 2.618 2.965 . 0 0 "[ . 1 .]" 1
681 1 7 CYS HB2 1 20 ALA HA . . 4.940 4.534 4.082 4.918 . 0 0 "[ . 1 .]" 1
682 1 7 CYS HB3 1 16 CYS HA . . 4.620 4.442 4.227 4.588 . 0 0 "[ . 1 .]" 1
683 1 7 CYS HB2 1 18 ARG HA . . 5.170 5.101 5.013 5.190 0.020 8 0 "[ . 1 .]" 1
684 1 7 CYS HB2 1 52 CYS HB2 . . 3.990 3.885 3.788 3.950 . 0 0 "[ . 1 .]" 1
685 1 9 LEU HB2 1 10 ILE HA . . 5.160 4.773 4.552 4.973 . 0 0 "[ . 1 .]" 1
686 1 9 LEU MD2 1 41 ASP HA . . 4.950 4.738 4.405 4.989 0.039 5 0 "[ . 1 .]" 1
687 1 11 GLU HA 1 13 GLY H . . 4.830 3.496 3.360 3.905 . 0 0 "[ . 1 .]" 1
688 1 36 LYS QE 1 36 LYS HG3 . . 3.870 2.842 2.160 3.584 . 0 0 "[ . 1 .]" 1
689 1 36 LYS QE 1 36 LYS HG2 . . 3.870 2.715 2.344 3.460 . 0 0 "[ . 1 .]" 1
690 1 36 LYS H 1 36 LYS HG2 . . 5.080 4.048 3.065 4.850 . 0 0 "[ . 1 .]" 1
691 1 36 LYS HG2 1 37 LYS H . . 5.500 5.135 4.595 5.553 0.053 6 0 "[ . 1 .]" 1
692 1 36 LYS H 1 36 LYS HG3 . . 5.080 4.209 2.782 4.666 . 0 0 "[ . 1 .]" 1
693 1 18 ARG HD3 1 54 PHE H . . 5.100 3.841 2.901 5.144 0.044 11 0 "[ . 1 .]" 1
694 1 20 ALA HA 1 21 GLY HA3 . . 4.870 4.368 4.320 4.495 . 0 0 "[ . 1 .]" 1
695 1 23 ALA MB 1 55 HIS HB3 . . 5.500 5.628 5.590 5.683 0.183 7 0 "[ . 1 .]" 1
696 1 24 SER HB3 1 50 TYR QE . . 5.270 3.627 3.209 4.012 . 0 0 "[ . 1 .]" 1
697 1 25 PHE HB3 1 49 LEU HA . . 4.940 2.780 2.415 3.160 . 0 0 "[ . 1 .]" 1
698 1 51 ILE HG13 1 53 ASP HA . . 4.770 4.548 4.071 4.870 0.100 9 0 "[ . 1 .]" 1
699 1 25 PHE QE 1 30 GLN HB2 . . 4.880 4.761 2.520 4.969 0.089 12 0 "[ . 1 .]" 1
700 1 31 LYS HB2 1 32 SER HA . . 5.500 5.091 4.337 5.638 0.138 4 0 "[ . 1 .]" 1
701 1 31 LYS HB3 1 32 SER HA . . 5.500 4.392 4.168 5.661 0.161 7 0 "[ . 1 .]" 1
702 1 32 SER HB3 1 33 ILE MD . . 4.840 4.487 4.260 4.729 . 0 0 "[ . 1 .]" 1
703 1 34 SER QB 1 36 LYS H . . 4.290 4.367 4.323 4.409 0.119 13 0 "[ . 1 .]" 1
704 1 33 ILE H 1 34 SER QB . . 4.380 4.290 4.032 4.414 0.034 11 0 "[ . 1 .]" 1
705 1 25 PHE HA 1 29 VAL MG2 . . 3.980 3.115 2.640 3.789 . 0 0 "[ . 1 .]" 1
706 1 56 LYS H 1 56 LYS HG2 . . 5.300 4.514 4.388 4.569 . 0 0 "[ . 1 .]" 1
707 1 58 PHE QD 1 61 SER QB . . 4.980 3.753 3.178 4.371 . 0 0 "[ . 1 .]" 1
708 1 58 PHE HB3 1 59 ILE MG . . 5.500 5.439 5.360 5.512 0.012 12 0 "[ . 1 .]" 1
709 1 54 PHE HA 1 58 PHE H . . 5.330 4.441 4.226 4.796 . 0 0 "[ . 1 .]" 1
710 1 18 ARG HD2 1 54 PHE H . . 5.100 4.371 3.558 5.209 0.109 6 0 "[ . 1 .]" 1
711 1 40 LEU MD1 1 55 HIS HD2 . . 4.030 3.158 2.854 3.474 . 0 0 "[ . 1 .]" 1
712 1 55 HIS HD2 1 58 PHE HB2 . . 4.270 3.536 3.251 3.848 . 0 0 "[ . 1 .]" 1
713 1 40 LEU MD2 1 55 HIS HD2 . . 4.030 2.883 2.636 3.126 . 0 0 "[ . 1 .]" 1
714 1 3 TYR H 1 3 TYR QB . . 3.560 2.513 2.221 3.379 . 0 0 "[ . 1 .]" 1
715 1 4 GLY QA 1 5 GLN HA . . 4.630 4.126 3.997 4.485 . 0 0 "[ . 1 .]" 1
716 1 4 GLY QA 1 5 GLN QB . . 4.410 4.259 3.953 4.515 0.105 8 0 "[ . 1 .]" 1
717 1 5 GLN H 1 5 GLN QB . . 3.240 2.492 2.161 3.043 . 0 0 "[ . 1 .]" 1
718 1 5 GLN QB 1 6 SER H . . 3.990 3.594 2.567 4.005 0.015 12 0 "[ . 1 .]" 1
719 1 5 GLN QB 1 6 SER QB . . 5.340 5.112 4.798 5.433 0.093 12 0 "[ . 1 .]" 1
720 1 5 GLN QB 1 20 ALA MB . . 3.560 2.789 2.100 3.663 0.103 2 0 "[ . 1 .]" 1
721 1 6 SER HA 1 19 PRO QB . . 5.340 4.239 4.124 4.373 . 0 0 "[ . 1 .]" 1
722 1 6 SER QB 1 17 VAL QG . . 4.230 3.931 3.656 4.279 0.049 7 0 "[ . 1 .]" 1
723 1 8 CYS H 1 8 CYS QB . . 3.550 2.752 2.604 3.024 . 0 0 "[ . 1 .]" 1
724 1 8 CYS QB 1 9 LEU H . . 4.210 3.667 3.388 3.993 . 0 0 "[ . 1 .]" 1
725 1 8 CYS QB 1 42 ILE MG . . 4.180 3.360 3.045 3.701 . 0 0 "[ . 1 .]" 1
726 1 8 CYS QB 1 42 ILE MD . . 4.610 3.985 3.691 4.402 . 0 0 "[ . 1 .]" 1
727 1 8 CYS QB 1 48 HIS HE1 . . 4.290 4.224 3.808 4.385 0.095 5 0 "[ . 1 .]" 1
728 1 8 CYS QB 1 48 HIS HE2 . . 3.440 2.226 2.108 2.498 . 0 0 "[ . 1 .]" 1
729 1 8 CYS QB 1 49 LEU HA . . 4.490 3.993 3.433 4.444 . 0 0 "[ . 1 .]" 1
730 1 8 CYS QB 1 51 ILE MG . . 4.730 3.787 3.154 4.579 . 0 0 "[ . 1 .]" 1
731 1 9 LEU H 1 9 LEU QB . . 3.320 2.366 2.254 2.525 . 0 0 "[ . 1 .]" 1
732 1 9 LEU H 1 16 CYS QB . . 4.050 3.050 2.772 3.437 . 0 0 "[ . 1 .]" 1
733 1 9 LEU HA 1 40 LEU QD . . 4.800 4.277 3.865 4.653 . 0 0 "[ . 1 .]" 1
734 1 9 LEU QB 1 10 ILE H . . 3.580 2.443 2.251 2.621 . 0 0 "[ . 1 .]" 1
735 1 9 LEU QB 1 16 CYS QB . . 3.700 2.776 2.613 2.948 . 0 0 "[ . 1 .]" 1
736 1 9 LEU MD1 1 40 LEU QB . . 4.570 3.724 2.901 4.609 0.039 7 0 "[ . 1 .]" 1
737 1 9 LEU MD1 1 40 LEU QD . . 3.100 2.213 1.999 2.580 . 0 0 "[ . 1 .]" 1
738 1 9 LEU MD2 1 40 LEU QB . . 3.690 3.019 2.139 3.795 0.105 1 0 "[ . 1 .]" 1
739 1 9 LEU MD2 1 42 ILE QG . . 4.130 3.579 3.224 3.758 . 0 0 "[ . 1 .]" 1
740 1 10 ILE H 1 40 LEU QD . . 3.860 3.440 2.896 3.804 . 0 0 "[ . 1 .]" 1
741 1 10 ILE HA 1 16 CYS QB . . 4.440 3.543 3.379 3.769 . 0 0 "[ . 1 .]" 1
742 1 10 ILE HB 1 41 ASP QB . . 3.280 2.235 2.065 2.501 . 0 0 "[ . 1 .]" 1
743 1 10 ILE MG 1 41 ASP QB . . 4.000 2.850 2.720 3.009 . 0 0 "[ . 1 .]" 1
744 1 10 ILE HG12 1 15 ARG QB . . 3.980 3.214 2.908 3.572 . 0 0 "[ . 1 .]" 1
745 1 10 ILE HG12 1 43 ASP QB . . 4.600 3.570 3.174 4.158 . 0 0 "[ . 1 .]" 1
746 1 10 ILE HG13 1 43 ASP QB . . 3.710 3.028 2.694 3.343 . 0 0 "[ . 1 .]" 1
747 1 10 ILE MD 1 15 ARG QG . . 4.740 3.262 2.406 4.360 . 0 0 "[ . 1 .]" 1
748 1 10 ILE MD 1 41 ASP QB . . 4.070 2.892 2.606 3.316 . 0 0 "[ . 1 .]" 1
749 1 10 ILE MD 1 43 ASP QB . . 3.430 2.570 2.185 2.852 . 0 0 "[ . 1 .]" 1
750 1 11 GLU HA 1 40 LEU QD . . 3.560 3.002 2.399 3.286 . 0 0 "[ . 1 .]" 1
751 1 11 GLU HB2 1 40 LEU QD . . 3.160 2.324 2.125 2.594 . 0 0 "[ . 1 .]" 1
752 1 11 GLU HB3 1 40 LEU QD . . 4.000 3.687 3.457 3.888 . 0 0 "[ . 1 .]" 1
753 1 11 GLU QG 1 12 ASP QB . . 3.740 3.323 3.103 3.760 0.020 8 0 "[ . 1 .]" 1
754 1 11 GLU QG 1 40 LEU QD . . 3.190 2.392 2.182 2.735 . 0 0 "[ . 1 .]" 1
755 1 12 ASP H 1 12 ASP QB . . 3.620 3.050 2.902 3.262 . 0 0 "[ . 1 .]" 1
756 1 12 ASP H 1 14 GLU QB . . 5.340 5.446 5.396 5.507 0.167 1 0 "[ . 1 .]" 1
757 1 12 ASP H 1 39 LYS QB . . 4.040 2.787 2.304 3.629 . 0 0 "[ . 1 .]" 1
758 1 12 ASP QB 1 14 GLU QB . . 4.300 4.128 3.610 4.422 0.122 3 0 "[ . 1 .]" 1
759 1 12 ASP QB 1 39 LYS QB . . 4.960 4.036 3.359 5.012 0.052 12 0 "[ . 1 .]" 1
760 1 12 ASP QB 1 39 LYS QD . . 4.140 3.609 2.584 4.207 0.067 7 0 "[ . 1 .]" 1
761 1 14 GLU H 1 14 GLU QB . . 3.130 2.267 2.186 2.368 . 0 0 "[ . 1 .]" 1
762 1 14 GLU H 1 14 GLU QG . . 4.170 3.903 2.515 4.039 . 0 0 "[ . 1 .]" 1
763 1 14 GLU HA 1 14 GLU QG . . 3.720 2.648 2.192 3.111 . 0 0 "[ . 1 .]" 1
764 1 15 ARG H 1 15 ARG QG . . 4.120 4.040 3.894 4.132 0.012 12 0 "[ . 1 .]" 1
765 1 15 ARG HA 1 15 ARG QG . . 3.630 2.848 2.520 3.213 . 0 0 "[ . 1 .]" 1
766 1 15 ARG HA 1 16 CYS QB . . 4.830 3.954 3.854 4.045 . 0 0 "[ . 1 .]" 1
767 1 15 ARG QB 1 15 ARG QD . . 3.410 2.657 2.431 2.997 . 0 0 "[ . 1 .]" 1
768 1 15 ARG QB 1 16 CYS H . . 4.120 3.997 3.950 4.054 . 0 0 "[ . 1 .]" 1
769 1 15 ARG QD 1 17 VAL QG . . 4.310 3.584 2.818 4.189 . 0 0 "[ . 1 .]" 1
770 1 15 ARG QD 1 43 ASP QB . . 3.670 2.700 2.029 3.408 . 0 0 "[ . 1 .]" 1
771 1 16 CYS QB 1 55 HIS HE1 . . 3.200 2.282 2.115 2.409 . 0 0 "[ . 1 .]" 1
772 1 17 VAL H 1 17 VAL QG . . 3.180 2.061 1.819 2.206 . 0 0 "[ . 1 .]" 1
773 1 17 VAL HA 1 17 VAL QG . . 2.940 2.231 2.158 2.277 . 0 0 "[ . 1 .]" 1
774 1 17 VAL QG 1 18 ARG H . . 4.580 3.257 3.027 3.419 . 0 0 "[ . 1 .]" 1
775 1 18 ARG H 1 18 ARG QG . . 3.320 2.488 2.068 2.938 . 0 0 "[ . 1 .]" 1
776 1 18 ARG H 1 18 ARG QD . . 4.550 3.900 3.592 4.161 . 0 0 "[ . 1 .]" 1
777 1 18 ARG H 1 19 PRO QD . . 4.790 4.484 4.462 4.509 . 0 0 "[ . 1 .]" 1
778 1 18 ARG HA 1 18 ARG QG . . 3.260 2.367 2.295 2.516 . 0 0 "[ . 1 .]" 1
779 1 18 ARG HA 1 19 PRO QD . . 2.670 2.172 2.143 2.199 . 0 0 "[ . 1 .]" 1
780 1 18 ARG HB2 1 18 ARG QD . . 3.480 2.442 2.266 2.546 . 0 0 "[ . 1 .]" 1
781 1 18 ARG HB3 1 18 ARG QD . . 3.230 2.403 2.175 2.793 . 0 0 "[ . 1 .]" 1
782 1 18 ARG HB3 1 19 PRO QD . . 3.300 2.321 2.232 2.413 . 0 0 "[ . 1 .]" 1
783 1 18 ARG QG 1 19 PRO QD . . 3.650 3.000 2.490 3.461 . 0 0 "[ . 1 .]" 1
784 1 18 ARG QD 1 54 PHE H . . 4.490 3.533 2.816 4.482 . 0 0 "[ . 1 .]" 1
785 1 18 ARG QD 1 54 PHE QD . . 4.820 3.250 2.813 3.564 . 0 0 "[ . 1 .]" 1
786 1 19 PRO QB 1 20 ALA H . . 3.810 3.182 3.013 3.329 . 0 0 "[ . 1 .]" 1
787 1 20 ALA MB 1 21 GLY QA . . 4.250 3.888 3.607 4.117 . 0 0 "[ . 1 .]" 1
788 1 21 GLY QA 1 22 ASN H . . 3.070 2.175 2.106 2.257 . 0 0 "[ . 1 .]" 1
789 1 21 GLY QA 1 23 ALA H . . 4.400 3.651 3.248 4.080 . 0 0 "[ . 1 .]" 1
790 1 22 ASN H 1 22 ASN QB . . 3.600 2.446 2.187 2.813 . 0 0 "[ . 1 .]" 1
791 1 23 ALA HA 1 56 LYS QD . . 4.470 3.562 2.685 4.558 0.088 2 0 "[ . 1 .]" 1
792 1 24 SER QB 1 49 LEU HB2 . . 3.820 3.313 3.058 3.590 . 0 0 "[ . 1 .]" 1
793 1 24 SER QB 1 49 LEU HB3 . . 3.950 3.461 3.196 3.685 . 0 0 "[ . 1 .]" 1
794 1 24 SER QB 1 49 LEU QD . . 4.870 4.037 3.829 4.218 . 0 0 "[ . 1 .]" 1
795 1 24 SER QB 1 51 ILE MG . . 5.190 4.586 4.304 4.972 . 0 0 "[ . 1 .]" 1
796 1 25 PHE HA 1 29 VAL QG . . 3.300 2.825 2.558 3.155 . 0 0 "[ . 1 .]" 1
797 1 25 PHE HB2 1 29 VAL QG . . 5.040 4.483 4.115 4.952 . 0 0 "[ . 1 .]" 1
798 1 25 PHE HB3 1 29 VAL QG . . 5.440 4.960 4.710 5.269 . 0 0 "[ . 1 .]" 1
799 1 25 PHE QD 1 29 VAL QG . . 3.370 2.983 2.245 3.348 . 0 0 "[ . 1 .]" 1
800 1 25 PHE QD 1 42 ILE QG . . 4.110 3.889 3.569 4.172 0.062 5 0 "[ . 1 .]" 1
801 1 25 PHE QE 1 29 VAL QG . . 3.560 2.937 2.343 3.243 . 0 0 "[ . 1 .]" 1
802 1 25 PHE QE 1 30 GLN QB . . 4.250 4.062 2.380 4.278 0.028 11 0 "[ . 1 .]" 1
803 1 25 PHE QE 1 42 ILE QG . . 4.370 2.887 2.370 3.245 . 0 0 "[ . 1 .]" 1
804 1 25 PHE HZ 1 29 VAL QG . . 4.410 4.149 3.880 4.459 0.049 8 0 "[ . 1 .]" 1
805 1 25 PHE HZ 1 30 GLN QB . . 5.000 4.318 2.482 5.013 0.013 13 0 "[ . 1 .]" 1
806 1 25 PHE HZ 1 33 ILE QG . . 5.330 4.396 3.662 4.742 . 0 0 "[ . 1 .]" 1
807 1 26 SER H 1 26 SER QB . . 3.350 2.604 2.292 3.050 . 0 0 "[ . 1 .]" 1
808 1 26 SER H 1 29 VAL QG . . 3.780 2.712 2.264 3.039 . 0 0 "[ . 1 .]" 1
809 1 26 SER QB 1 27 LYS H . . 4.430 2.802 2.485 3.036 . 0 0 "[ . 1 .]" 1
810 1 26 SER QB 1 27 LYS QB . . 4.030 4.045 3.834 4.115 0.085 14 0 "[ . 1 .]" 1
811 1 26 SER QB 1 29 VAL H . . 4.550 3.605 2.659 4.310 . 0 0 "[ . 1 .]" 1
812 1 26 SER QB 1 29 VAL QG . . 4.050 2.957 2.154 3.831 . 0 0 "[ . 1 .]" 1
813 1 26 SER QB 1 49 LEU QD . . 4.390 4.324 3.807 4.433 0.043 1 0 "[ . 1 .]" 1
814 1 27 LYS HA 1 27 LYS QG . . 3.440 2.512 2.054 3.023 . 0 0 "[ . 1 .]" 1
815 1 27 LYS HA 1 30 GLN QB . . 3.510 3.209 2.237 3.692 0.182 8 0 "[ . 1 .]" 1
816 1 27 LYS QB 1 28 ARG H . . 4.220 2.889 2.629 3.471 . 0 0 "[ . 1 .]" 1
817 1 28 ARG HA 1 28 ARG QG . . 3.460 2.896 2.240 3.401 . 0 0 "[ . 1 .]" 1
818 1 28 ARG HA 1 29 VAL QG . . 5.440 4.717 4.613 4.797 . 0 0 "[ . 1 .]" 1
819 1 28 ARG QB 1 28 ARG QD . . 3.180 2.250 2.123 2.344 . 0 0 "[ . 1 .]" 1
820 1 28 ARG QB 1 29 VAL QG . . 4.870 3.565 2.909 4.088 . 0 0 "[ . 1 .]" 1
821 1 28 ARG QG 1 29 VAL HA . . 5.080 4.006 3.439 5.138 0.058 2 0 "[ . 1 .]" 1
822 1 28 ARG QD 1 29 VAL QG . . 5.440 4.054 2.561 5.418 . 0 0 "[ . 1 .]" 1
823 1 29 VAL H 1 29 VAL QG . . 3.220 2.158 2.031 2.339 . 0 0 "[ . 1 .]" 1
824 1 29 VAL H 1 30 GLN QB . . 4.730 4.478 4.115 4.731 0.001 5 0 "[ . 1 .]" 1
825 1 29 VAL QG 1 30 GLN H . . 3.860 3.297 3.088 3.446 . 0 0 "[ . 1 .]" 1
826 1 29 VAL QG 1 30 GLN QG . . 4.970 4.068 3.835 4.663 . 0 0 "[ . 1 .]" 1
827 1 29 VAL QG 1 32 SER HB2 . . 4.140 3.995 3.619 4.177 0.037 4 0 "[ . 1 .]" 1
828 1 29 VAL QG 1 32 SER HB3 . . 5.280 3.554 3.057 4.209 . 0 0 "[ . 1 .]" 1
829 1 29 VAL QG 1 33 ILE H . . 4.590 4.090 3.857 4.334 . 0 0 "[ . 1 .]" 1
830 1 30 GLN HA 1 33 ILE QG . . 4.190 3.655 3.264 4.200 0.010 13 0 "[ . 1 .]" 1
831 1 30 GLN QB 1 31 LYS H . . 3.600 2.665 2.289 3.644 0.044 8 0 "[ . 1 .]" 1
832 1 31 LYS QB 1 32 SER H . . 3.860 2.695 2.341 3.703 . 0 0 "[ . 1 .]" 1
833 1 31 LYS QB 1 32 SER HA . . 4.810 4.082 3.852 4.618 . 0 0 "[ . 1 .]" 1
834 1 31 LYS QG 1 34 SER QB . . 5.340 4.140 3.452 5.333 . 0 0 "[ . 1 .]" 1
835 1 33 ILE H 1 33 ILE QG . . 3.410 2.175 1.936 2.482 . 0 0 "[ . 1 .]" 1
836 1 33 ILE HA 1 33 ILE QG . . 3.700 2.427 2.319 2.542 . 0 0 "[ . 1 .]" 1
837 1 33 ILE MG 1 36 LYS QB . . 4.410 3.857 3.424 4.479 0.069 5 0 "[ . 1 .]" 1
838 1 33 ILE MG 1 40 LEU QB . . 3.830 2.343 2.170 2.650 . 0 0 "[ . 1 .]" 1
839 1 33 ILE MD 1 40 LEU QB . . 3.670 2.780 2.533 3.322 . 0 0 "[ . 1 .]" 1
840 1 33 ILE MD 1 59 ILE QG . . 4.730 2.699 2.327 3.248 . 0 0 "[ . 1 .]" 1
841 1 35 GLN H 1 35 GLN QG . . 4.320 3.503 2.184 4.107 . 0 0 "[ . 1 .]" 1
842 1 35 GLN HA 1 35 GLN QG . . 3.440 2.567 2.240 3.373 . 0 0 "[ . 1 .]" 1
843 1 35 GLN QB 1 36 LYS H . . 3.860 3.341 2.685 3.898 0.038 6 0 "[ . 1 .]" 1
844 1 36 LYS H 1 36 LYS QB . . 3.340 2.444 2.289 2.678 . 0 0 "[ . 1 .]" 1
845 1 36 LYS H 1 36 LYS QG . . 4.260 3.576 2.736 4.216 . 0 0 "[ . 1 .]" 1
846 1 36 LYS HA 1 36 LYS QG . . 2.940 2.574 2.220 2.898 . 0 0 "[ . 1 .]" 1
847 1 36 LYS QB 1 36 LYS QE . . 4.020 3.243 1.941 3.849 . 0 0 "[ . 1 .]" 1
848 1 36 LYS QB 1 37 LYS H . . 4.290 3.201 2.935 3.593 . 0 0 "[ . 1 .]" 1
849 1 36 LYS QB 1 38 LEU HB2 . . 3.850 3.814 3.429 3.930 0.080 14 0 "[ . 1 .]" 1
850 1 36 LYS QB 1 38 LEU QD . . 3.700 2.681 1.952 3.037 . 0 0 "[ . 1 .]" 1
851 1 36 LYS QE 1 36 LYS QG . . 3.330 2.398 2.082 2.925 . 0 0 "[ . 1 .]" 1
852 1 36 LYS QG 1 37 LYS H . . 4.820 4.568 4.325 4.879 0.059 14 0 "[ . 1 .]" 1
853 1 36 LYS QE 1 62 VAL QG . . 3.860 2.746 1.914 3.887 0.027 1 0 "[ . 1 .]" 1
854 1 37 LYS H 1 37 LYS QB . . 3.640 2.995 2.494 3.452 . 0 0 "[ . 1 .]" 1
855 1 37 LYS HA 1 37 LYS QG . . 3.100 2.519 2.237 2.885 . 0 0 "[ . 1 .]" 1
856 1 39 LYS HA 1 39 LYS QG . . 3.430 2.592 2.324 3.405 . 0 0 "[ . 1 .]" 1
857 1 39 LYS QB 1 39 LYS QE . . 4.560 3.103 2.046 3.694 . 0 0 "[ . 1 .]" 1
858 1 40 LEU H 1 40 LEU QB . . 3.510 2.440 2.347 2.588 . 0 0 "[ . 1 .]" 1
859 1 40 LEU H 1 40 LEU QD . . 4.730 3.627 3.328 3.949 . 0 0 "[ . 1 .]" 1
860 1 40 LEU HA 1 40 LEU QD . . 3.120 2.094 2.011 2.167 . 0 0 "[ . 1 .]" 1
861 1 40 LEU QB 1 40 LEU QD . . 2.720 1.916 1.887 1.955 . 0 0 "[ . 1 .]" 1
862 1 40 LEU QB 1 41 ASP H . . 3.950 3.620 3.170 4.018 0.068 1 0 "[ . 1 .]" 1
863 1 40 LEU QB 1 58 PHE QE . . 5.150 4.265 2.850 4.939 . 0 0 "[ . 1 .]" 1
864 1 40 LEU QD 1 41 ASP H . . 4.580 3.493 3.228 3.849 . 0 0 "[ . 1 .]" 1
865 1 40 LEU QD 1 55 HIS HA . . 4.930 4.217 4.053 4.385 . 0 0 "[ . 1 .]" 1
866 1 40 LEU QD 1 55 HIS HB2 . . 5.440 4.728 4.459 4.913 . 0 0 "[ . 1 .]" 1
867 1 40 LEU QD 1 55 HIS HB3 . . 4.430 3.766 3.468 3.970 . 0 0 "[ . 1 .]" 1
868 1 40 LEU QD 1 55 HIS HD2 . . 3.470 2.645 2.543 2.832 . 0 0 "[ . 1 .]" 1
869 1 40 LEU QD 1 55 HIS HE1 . . 5.130 3.571 3.315 3.777 . 0 0 "[ . 1 .]" 1
870 1 40 LEU QD 1 58 PHE HB3 . . 4.460 3.792 3.578 4.121 . 0 0 "[ . 1 .]" 1
871 1 40 LEU QD 1 58 PHE QD . . 3.520 2.165 2.009 2.630 . 0 0 "[ . 1 .]" 1
872 1 40 LEU QD 1 58 PHE QE . . 3.840 2.418 2.216 2.755 . 0 0 "[ . 1 .]" 1
873 1 40 LEU QD 1 59 ILE QG . . 3.880 2.554 2.114 3.138 . 0 0 "[ . 1 .]" 1
874 1 41 ASP QB 1 42 ILE MD . . 5.340 4.954 4.701 5.193 . 0 0 "[ . 1 .]" 1
875 1 42 ILE H 1 42 ILE QG . . 3.580 2.866 2.742 2.967 . 0 0 "[ . 1 .]" 1
876 1 42 ILE HA 1 42 ILE QG . . 3.570 3.032 2.907 3.103 . 0 0 "[ . 1 .]" 1
877 1 42 ILE HA 1 43 ASP QB . . 4.330 3.988 3.834 4.157 . 0 0 "[ . 1 .]" 1
878 1 42 ILE MG 1 43 ASP QB . . 4.730 3.890 3.542 4.135 . 0 0 "[ . 1 .]" 1
879 1 42 ILE MG 1 44 LYS QG . . 4.020 3.591 2.856 4.083 0.063 9 0 "[ . 1 .]" 1
880 1 44 LYS H 1 44 LYS QB . . 3.470 2.371 2.178 2.770 . 0 0 "[ . 1 .]" 1
881 1 44 LYS H 1 44 LYS QG . . 3.710 2.895 2.304 3.794 0.084 14 0 "[ . 1 .]" 1
882 1 44 LYS HA 1 44 LYS QG . . 3.270 2.606 2.284 3.239 . 0 0 "[ . 1 .]" 1
883 1 51 ILE MD 1 59 ILE QG . . 4.370 4.091 3.857 4.344 . 0 0 "[ . 1 .]" 1
884 1 52 CYS HA 1 53 ASP QB . . 4.770 4.310 4.136 4.495 . 0 0 "[ . 1 .]" 1
885 1 52 CYS HB2 1 54 PHE QB . . 4.680 3.601 3.374 4.029 . 0 0 "[ . 1 .]" 1
886 1 53 ASP H 1 53 ASP QB . . 3.040 2.292 2.066 2.521 . 0 0 "[ . 1 .]" 1
887 1 53 ASP HA 1 56 LYS QG . . 4.630 4.201 3.837 4.687 0.057 9 0 "[ . 1 .]" 1
888 1 53 ASP HA 1 56 LYS QD . . 3.890 3.179 2.249 3.951 0.061 7 0 "[ . 1 .]" 1
889 1 53 ASP QB 1 54 PHE H . . 3.920 3.217 2.877 3.520 . 0 0 "[ . 1 .]" 1
890 1 53 ASP QB 1 56 LYS HB3 . . 4.440 4.079 3.820 4.404 . 0 0 "[ . 1 .]" 1
891 1 54 PHE HA 1 57 ASN QB . . 4.170 3.381 3.105 3.564 . 0 0 "[ . 1 .]" 1
892 1 54 PHE QB 1 55 HIS H . . 3.620 2.349 2.283 2.477 . 0 0 "[ . 1 .]" 1
893 1 54 PHE QD 1 57 ASN QB . . 5.050 4.905 4.585 5.073 0.023 13 0 "[ . 1 .]" 1
894 1 55 HIS HA 1 59 ILE QG . . 4.440 4.086 3.808 4.268 . 0 0 "[ . 1 .]" 1
895 1 56 LYS H 1 56 LYS QG . . 4.590 4.010 3.961 4.043 . 0 0 "[ . 1 .]" 1
896 1 56 LYS HA 1 56 LYS QG . . 3.380 2.540 2.341 2.803 . 0 0 "[ . 1 .]" 1
897 1 56 LYS HA 1 56 LYS QD . . 4.540 4.201 3.976 4.343 . 0 0 "[ . 1 .]" 1
898 1 56 LYS HA 1 59 ILE QG . . 4.670 4.353 4.020 4.635 . 0 0 "[ . 1 .]" 1
899 1 56 LYS HB3 1 57 ASN QB . . 4.640 3.998 3.776 4.203 . 0 0 "[ . 1 .]" 1
900 1 56 LYS QG 1 57 ASN H . . 4.420 3.679 3.276 3.946 . 0 0 "[ . 1 .]" 1
901 1 56 LYS QG 1 57 ASN HA . . 4.150 3.778 3.415 4.077 . 0 0 "[ . 1 .]" 1
902 1 56 LYS QG 1 60 GLN QG . . 4.290 3.222 2.494 3.837 . 0 0 "[ . 1 .]" 1
903 1 57 ASN HA 1 60 GLN QG . . 4.550 3.629 2.975 3.949 . 0 0 "[ . 1 .]" 1
904 1 58 PHE H 1 59 ILE QG . . 4.500 4.514 4.402 4.542 0.042 13 0 "[ . 1 .]" 1
905 1 58 PHE HB2 1 59 ILE QG . . 4.810 4.621 4.507 4.726 . 0 0 "[ . 1 .]" 1
906 1 58 PHE HB3 1 59 ILE QG . . 4.310 2.985 2.852 3.090 . 0 0 "[ . 1 .]" 1
907 1 58 PHE QD 1 59 ILE QG . . 3.830 3.038 2.557 3.269 . 0 0 "[ . 1 .]" 1
908 1 58 PHE QD 1 62 VAL QG . . 4.960 4.032 3.034 4.968 0.008 7 0 "[ . 1 .]" 1
909 1 59 ILE H 1 59 ILE QG . . 2.980 2.072 1.987 2.136 . 0 0 "[ . 1 .]" 1
910 1 59 ILE HA 1 59 ILE QG . . 3.230 2.515 2.398 2.627 . 0 0 "[ . 1 .]" 1
911 1 59 ILE HA 1 62 VAL QG . . 3.630 2.591 1.974 3.747 0.117 13 0 "[ . 1 .]" 1
912 1 59 ILE MG 1 60 GLN QG . . 4.510 3.934 3.598 4.482 . 0 0 "[ . 1 .]" 1
913 1 60 GLN H 1 60 GLN QG . . 3.760 2.607 2.355 2.871 . 0 0 "[ . 1 .]" 1
914 1 60 GLN HA 1 60 GLN QG . . 3.350 2.552 2.265 3.173 . 0 0 "[ . 1 .]" 1
915 1 61 SER HA 1 62 VAL QG . . 4.940 4.578 4.387 4.736 . 0 0 "[ . 1 .]" 1
916 1 62 VAL H 1 62 VAL QG . . 3.170 1.980 1.868 2.308 . 0 0 "[ . 1 .]" 1
917 1 62 VAL QG 1 63 ARG HA . . 4.080 3.728 3.269 4.181 0.101 11 0 "[ . 1 .]" 1
918 1 63 ARG HA 1 63 ARG QG . . 3.130 2.641 2.354 3.098 . 0 0 "[ . 1 .]" 1
919 1 63 ARG QB 1 63 ARG QD . . 3.100 2.419 2.012 2.936 . 0 0 "[ . 1 .]" 1
920 1 64 ASN QB 1 65 LYS HA . . 4.410 4.156 3.749 4.492 0.082 5 0 "[ . 1 .]" 1
921 1 64 ASN QB 1 65 LYS QB . . 4.610 4.369 3.765 4.611 0.001 8 0 "[ . 1 .]" 1
922 1 64 ASN QB 1 65 LYS QD . . 4.570 4.033 2.581 4.589 0.019 2 0 "[ . 1 .]" 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 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 7 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 55 HIS 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 CYS SG 1 16 CYS SG . . 3.750 3.733 3.720 3.741 . 0 0 "[ . 1 .]" 2
2 1 7 CYS SG 1 52 CYS SG . . 3.750 3.729 3.724 3.733 . 0 0 "[ . 1 .]" 2
3 1 16 CYS SG 1 52 CYS SG . . 3.750 3.733 3.727 3.739 . 0 0 "[ . 1 .]" 2
4 1 7 CYS SG 1 55 HIS ND1 . . 3.750 3.720 3.711 3.728 . 0 0 "[ . 1 .]" 2
5 1 16 CYS SG 1 55 HIS ND1 . . 3.750 3.139 3.089 3.189 . 0 0 "[ . 1 .]" 2
6 1 52 CYS SG 1 55 HIS ND1 . . 3.750 3.712 3.707 3.720 . 0 0 "[ . 1 .]" 2
stop_
save_