NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578502 |
2mrc   |
25068 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mrc
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 1046
_Distance_constraint_stats_list.Viol_count 297
_Distance_constraint_stats_list.Viol_total 76.715
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0258
_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 14 PRO 0.000 0.000 . 0 "[ . 1]"
1 15 LEU 0.215 0.110 9 0 "[ . 1]"
1 16 ALA 0.074 0.062 9 0 "[ . 1]"
1 17 PRO 0.063 0.035 4 0 "[ . 1]"
1 18 LYS 0.005 0.005 7 0 "[ . 1]"
1 19 ARG 0.029 0.016 9 0 "[ . 1]"
1 20 ALA 0.040 0.016 9 0 "[ . 1]"
1 21 LEU 0.143 0.056 10 0 "[ . 1]"
1 22 SER 0.075 0.030 4 0 "[ . 1]"
1 23 ALA 0.064 0.030 4 0 "[ . 1]"
1 24 TYR 0.000 0.000 . 0 "[ . 1]"
1 25 MET 0.482 0.109 10 0 "[ . 1]"
1 26 PHE 0.018 0.010 9 0 "[ . 1]"
1 27 TYR 0.003 0.003 8 0 "[ . 1]"
1 28 VAL 0.050 0.018 4 0 "[ . 1]"
1 29 LYS 0.016 0.007 9 0 "[ . 1]"
1 30 ASP 0.003 0.003 8 0 "[ . 1]"
1 31 LYS 0.016 0.007 9 0 "[ . 1]"
1 32 ARG 0.284 0.126 1 0 "[ . 1]"
1 33 LEU 0.160 0.054 8 0 "[ . 1]"
1 34 GLU 0.053 0.022 5 0 "[ . 1]"
1 35 ILE 0.002 0.001 9 0 "[ . 1]"
1 36 ILE 0.114 0.054 8 0 "[ . 1]"
1 37 LYS 0.017 0.015 9 0 "[ . 1]"
1 38 GLU 0.042 0.015 9 0 "[ . 1]"
1 39 LYS 0.029 0.009 9 0 "[ . 1]"
1 40 PRO 0.000 0.000 . 0 "[ . 1]"
1 41 GLU 0.000 0.000 6 0 "[ . 1]"
1 42 LEU 0.017 0.006 8 0 "[ . 1]"
1 43 ALA 0.059 0.015 7 0 "[ . 1]"
1 44 LYS 0.000 0.000 . 0 "[ . 1]"
1 45 ASP 0.012 0.006 8 0 "[ . 1]"
1 46 VAL 0.000 0.000 . 0 "[ . 1]"
1 47 ALA 0.000 0.000 . 0 "[ . 1]"
1 48 GLN 0.115 0.017 2 0 "[ . 1]"
1 49 VAL 0.024 0.010 7 0 "[ . 1]"
1 50 GLY 1.228 0.133 3 0 "[ . 1]"
1 51 LYS 0.270 0.027 1 0 "[ . 1]"
1 52 LEU 0.252 0.027 1 0 "[ . 1]"
1 53 ILE 1.583 0.135 4 0 "[ . 1]"
1 54 GLY 0.101 0.078 4 0 "[ . 1]"
1 55 GLU 0.050 0.030 2 0 "[ . 1]"
1 56 ALA 0.064 0.030 2 0 "[ . 1]"
1 57 TRP 1.248 0.096 4 0 "[ . 1]"
1 58 GLY 0.741 0.096 4 0 "[ . 1]"
1 59 GLN 0.000 0.000 . 0 "[ . 1]"
1 60 LEU 0.589 0.082 7 0 "[ . 1]"
1 61 SER 0.115 0.040 4 0 "[ . 1]"
1 63 ALA 0.000 0.000 . 0 "[ . 1]"
1 64 GLN 0.109 0.040 4 0 "[ . 1]"
1 65 LYS 0.187 0.070 9 0 "[ . 1]"
1 66 ALA 0.310 0.109 9 0 "[ . 1]"
1 67 PRO 0.000 0.000 . 0 "[ . 1]"
1 68 TYR 0.090 0.068 6 0 "[ . 1]"
1 69 GLU 0.384 0.109 9 0 "[ . 1]"
1 70 LYS 0.012 0.012 6 0 "[ . 1]"
1 71 LYS 0.319 0.204 6 0 "[ . 1]"
1 72 ALA 0.000 0.000 . 0 "[ . 1]"
1 73 GLN 0.042 0.021 10 0 "[ . 1]"
1 74 LEU 0.064 0.021 10 0 "[ . 1]"
1 75 ASP 0.043 0.043 10 0 "[ . 1]"
1 76 LYS 0.000 0.000 . 0 "[ . 1]"
1 77 VAL 0.034 0.012 7 0 "[ . 1]"
1 78 ARG 0.055 0.043 10 0 "[ . 1]"
1 79 TYR 0.000 0.000 . 0 "[ . 1]"
1 80 SER 0.000 0.000 . 0 "[ . 1]"
1 81 LYS 0.000 0.000 . 0 "[ . 1]"
1 82 GLU 0.000 0.000 . 0 "[ . 1]"
1 83 ILE 1.053 0.062 8 0 "[ . 1]"
1 84 GLU 0.000 0.000 . 0 "[ . 1]"
1 85 GLU 0.020 0.020 8 0 "[ . 1]"
1 86 TYR 0.991 0.048 2 0 "[ . 1]"
1 87 ARG 0.139 0.027 8 0 "[ . 1]"
1 88 LYS 0.000 0.000 . 0 "[ . 1]"
1 89 LYS 0.004 0.004 8 0 "[ . 1]"
1 90 ASN 0.740 0.062 8 0 "[ . 1]"
1 91 GLN 0.192 0.148 10 0 "[ . 1]"
1 92 GLU 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 15 LEU HA 1 16 ALA H . . 3.210 2.984 2.903 3.272 0.062 9 0 "[ . 1]" 1
2 1 15 LEU HB3 1 16 ALA H . . 4.480 4.242 4.048 4.448 . 0 0 "[ . 1]" 1
3 1 15 LEU HB2 1 16 ALA H . . 4.480 4.208 4.009 4.466 . 0 0 "[ . 1]" 1
4 1 16 ALA H 1 16 ALA MB . . 3.040 2.221 2.071 2.414 . 0 0 "[ . 1]" 1
5 1 17 PRO HB3 1 18 LYS H . . 4.120 3.364 3.209 3.893 . 0 0 "[ . 1]" 1
6 1 18 LYS H 1 18 LYS HB2 . . 3.740 2.707 2.467 2.900 . 0 0 "[ . 1]" 1
7 1 18 LYS H 1 18 LYS HB3 . . 3.740 2.519 2.436 2.634 . 0 0 "[ . 1]" 1
8 1 17 PRO HB2 1 18 LYS H . . 3.420 2.396 2.076 3.372 . 0 0 "[ . 1]" 1
9 1 18 LYS HA 1 19 ARG H . . 3.030 2.233 2.150 2.314 . 0 0 "[ . 1]" 1
10 1 18 LYS HB2 1 19 ARG H . . 4.360 4.078 3.946 4.336 . 0 0 "[ . 1]" 1
11 1 19 ARG H 1 19 ARG HG3 . . 3.050 2.478 2.234 2.656 . 0 0 "[ . 1]" 1
12 1 19 ARG HA 1 20 ALA H . . 3.130 2.378 2.174 2.529 . 0 0 "[ . 1]" 1
13 1 20 ALA H 1 20 ALA MB . . 3.120 2.381 2.037 2.556 . 0 0 "[ . 1]" 1
14 1 21 LEU H 1 21 LEU HG . . 3.940 2.895 2.100 3.944 0.004 4 0 "[ . 1]" 1
15 1 20 ALA MB 1 21 LEU H . . 3.310 2.549 2.374 3.152 . 0 0 "[ . 1]" 1
16 1 21 LEU H 1 21 LEU HB2 . . 4.070 2.345 2.156 2.599 . 0 0 "[ . 1]" 1
17 1 21 LEU HA 1 22 SER H . . 3.140 2.387 2.335 2.400 . 0 0 "[ . 1]" 1
18 1 64 GLN H 1 64 GLN HB2 . . 3.990 2.479 2.216 2.657 . 0 0 "[ . 1]" 1
19 1 22 SER H 1 25 MET HB2 . . 4.260 2.855 2.377 4.144 . 0 0 "[ . 1]" 1
20 1 21 LEU HG 1 22 SER H . . 4.860 4.448 3.757 4.788 . 0 0 "[ . 1]" 1
21 1 63 ALA MB 1 64 GLN H . . 3.760 2.526 2.260 2.718 . 0 0 "[ . 1]" 1
22 1 21 LEU HB3 1 22 SER H . . 4.240 2.474 2.435 2.593 . 0 0 "[ . 1]" 1
23 1 21 LEU HB2 1 22 SER H . . 3.910 3.761 3.522 3.909 . 0 0 "[ . 1]" 1
24 1 21 LEU MD2 1 22 SER H . . 4.730 3.218 2.358 4.132 . 0 0 "[ . 1]" 1
25 1 23 ALA H 1 72 ALA MB . . 3.990 3.406 3.053 3.915 . 0 0 "[ . 1]" 1
26 1 23 ALA H 1 23 ALA MB . . 3.360 2.116 2.038 2.241 . 0 0 "[ . 1]" 1
27 1 23 ALA H 1 24 TYR H . . 3.880 2.698 2.520 2.831 . 0 0 "[ . 1]" 1
28 1 24 TYR H 1 25 MET H . . 3.850 2.693 2.342 2.981 . 0 0 "[ . 1]" 1
29 1 24 TYR H 1 24 TYR HB2 . . 3.640 2.340 2.131 2.702 . 0 0 "[ . 1]" 1
30 1 24 TYR H 1 24 TYR HB3 . . 3.640 3.097 2.380 3.506 . 0 0 "[ . 1]" 1
31 1 23 ALA MB 1 24 TYR H . . 3.570 2.767 2.650 2.943 . 0 0 "[ . 1]" 1
32 1 25 MET H 1 25 MET HB3 . . 3.840 3.285 2.315 3.598 . 0 0 "[ . 1]" 1
33 1 25 MET H 1 25 MET HB2 . . 3.840 2.415 2.087 2.841 . 0 0 "[ . 1]" 1
34 1 25 MET H 1 25 MET HG2 . . 4.280 3.390 1.986 4.350 0.070 9 0 "[ . 1]" 1
35 1 25 MET H 1 25 MET HG3 . . 4.280 3.793 2.927 4.389 0.109 10 0 "[ . 1]" 1
36 1 25 MET H 1 26 PHE H . . 3.850 2.672 2.425 2.841 . 0 0 "[ . 1]" 1
37 1 25 MET HB3 1 26 PHE H . . 4.030 3.247 2.591 3.912 . 0 0 "[ . 1]" 1
38 1 26 PHE H 1 27 TYR H . . 3.940 2.840 2.669 2.929 . 0 0 "[ . 1]" 1
39 1 27 TYR H 1 28 VAL H . . 3.890 2.745 2.623 2.997 . 0 0 "[ . 1]" 1
40 1 27 TYR H 1 30 ASP H . . 4.830 4.726 4.576 4.833 0.003 8 0 "[ . 1]" 1
41 1 27 TYR H 1 27 TYR HB2 . . 3.790 2.298 2.065 2.512 . 0 0 "[ . 1]" 1
42 1 27 TYR H 1 27 TYR HB3 . . 3.790 2.890 2.544 3.453 . 0 0 "[ . 1]" 1
43 1 29 LYS H 1 29 LYS HG3 . . 4.610 3.190 2.524 3.611 . 0 0 "[ . 1]" 1
44 1 28 VAL MG2 1 29 LYS H . . 4.050 3.367 2.046 3.737 . 0 0 "[ . 1]" 1
45 1 30 ASP H 1 31 LYS H . . 3.390 2.823 2.754 2.923 . 0 0 "[ . 1]" 1
46 1 31 LYS H 1 32 ARG H . . 3.780 2.864 2.706 2.954 . 0 0 "[ . 1]" 1
47 1 31 LYS H 1 31 LYS HB3 . . 3.790 3.059 2.718 3.560 . 0 0 "[ . 1]" 1
48 1 31 LYS H 1 31 LYS HB2 . . 3.790 2.212 2.062 2.344 . 0 0 "[ . 1]" 1
49 1 32 ARG H 1 35 ILE H . . 5.080 4.758 4.642 4.863 . 0 0 "[ . 1]" 1
50 1 28 VAL HA 1 32 ARG H . . 4.220 3.805 3.488 4.184 . 0 0 "[ . 1]" 1
51 1 32 ARG H 1 49 VAL HB . . 5.500 5.465 5.283 5.510 0.010 7 0 "[ . 1]" 1
52 1 31 LYS HB3 1 32 ARG H . . 4.180 2.558 2.204 3.310 . 0 0 "[ . 1]" 1
53 1 33 LEU H 1 34 GLU H . . 3.310 2.863 2.794 2.959 . 0 0 "[ . 1]" 1
54 1 33 LEU H 1 33 LEU HB3 . . 3.650 3.552 3.506 3.585 . 0 0 "[ . 1]" 1
55 1 33 LEU H 1 33 LEU HG . . 3.460 2.670 2.284 3.473 0.013 5 0 "[ . 1]" 1
56 1 33 LEU H 1 33 LEU HB2 . . 3.650 2.324 2.203 2.479 . 0 0 "[ . 1]" 1
57 1 34 GLU H 1 34 GLU HG3 . . 4.110 3.167 2.242 3.968 . 0 0 "[ . 1]" 1
58 1 33 LEU HB3 1 34 GLU H . . 3.780 3.319 3.002 3.716 . 0 0 "[ . 1]" 1
59 1 33 LEU HB2 1 34 GLU H . . 3.780 2.646 2.359 2.789 . 0 0 "[ . 1]" 1
60 1 34 GLU H 1 35 ILE H . . 3.550 2.741 2.605 2.931 . 0 0 "[ . 1]" 1
61 1 35 ILE H 1 35 ILE HB . . 3.340 2.555 2.515 2.593 . 0 0 "[ . 1]" 1
62 1 35 ILE H 1 35 ILE HG13 . . 3.790 2.088 1.973 2.206 . 0 0 "[ . 1]" 1
63 1 35 ILE H 1 36 ILE H . . 3.790 2.678 2.550 2.759 . 0 0 "[ . 1]" 1
64 1 36 ILE H 1 37 LYS H . . 3.600 2.424 2.351 2.513 . 0 0 "[ . 1]" 1
65 1 33 LEU HA 1 36 ILE H . . 4.280 3.578 3.445 3.689 . 0 0 "[ . 1]" 1
66 1 34 GLU HA 1 36 ILE H . . 4.890 4.150 3.991 4.395 . 0 0 "[ . 1]" 1
67 1 35 ILE HB 1 36 ILE H . . 3.700 2.839 2.682 3.006 . 0 0 "[ . 1]" 1
68 1 36 ILE H 1 36 ILE HB . . 3.830 2.463 2.336 2.511 . 0 0 "[ . 1]" 1
69 1 36 ILE H 1 36 ILE HG12 . . 4.060 3.761 3.622 4.037 . 0 0 "[ . 1]" 1
70 1 36 ILE H 1 36 ILE HG13 . . 4.060 2.483 2.267 3.560 . 0 0 "[ . 1]" 1
71 1 37 LYS H 1 39 LYS H . . 4.130 3.718 3.554 3.878 . 0 0 "[ . 1]" 1
72 1 37 LYS H 1 38 GLU HG2 . . 4.390 4.225 3.992 4.405 0.015 9 0 "[ . 1]" 1
73 1 38 GLU H 1 38 GLU HB3 . . 3.120 2.614 2.495 2.793 . 0 0 "[ . 1]" 1
74 1 35 ILE HA 1 38 GLU H . . 4.130 3.826 3.753 3.915 . 0 0 "[ . 1]" 1
75 1 39 LYS H 1 40 PRO HD3 . . 4.190 3.164 3.121 3.315 . 0 0 "[ . 1]" 1
76 1 38 GLU HB3 1 39 LYS H . . 4.050 3.956 3.901 4.008 . 0 0 "[ . 1]" 1
77 1 35 ILE MG 1 39 LYS H . . 4.010 3.872 3.739 4.006 . 0 0 "[ . 1]" 1
78 1 38 GLU H 1 39 LYS H . . 3.230 2.294 2.204 2.419 . 0 0 "[ . 1]" 1
79 1 41 GLU H 1 42 LEU H . . 3.420 2.558 2.423 2.672 . 0 0 "[ . 1]" 1
80 1 39 LYS HA 1 41 GLU H . . 3.650 3.139 3.107 3.190 . 0 0 "[ . 1]" 1
81 1 40 PRO HD2 1 41 GLU H . . 3.960 2.796 2.715 2.842 . 0 0 "[ . 1]" 1
82 1 40 PRO HD3 1 41 GLU H . . 4.340 3.922 3.879 3.946 . 0 0 "[ . 1]" 1
83 1 40 PRO HB2 1 41 GLU H . . 3.920 3.736 3.615 3.799 . 0 0 "[ . 1]" 1
84 1 40 PRO HG2 1 41 GLU H . . 3.220 2.944 2.753 3.045 . 0 0 "[ . 1]" 1
85 1 42 LEU H 1 42 LEU HG . . 3.410 2.640 2.361 2.951 . 0 0 "[ . 1]" 1
86 1 43 ALA H 1 43 ALA MB . . 2.870 2.200 2.156 2.235 . 0 0 "[ . 1]" 1
87 1 41 GLU HA 1 43 ALA H . . 4.190 3.738 3.657 3.829 . 0 0 "[ . 1]" 1
88 1 42 LEU H 1 43 ALA H . . 3.230 2.470 2.453 2.494 . 0 0 "[ . 1]" 1
89 1 41 GLU H 1 43 ALA H . . 4.350 3.749 3.637 3.844 . 0 0 "[ . 1]" 1
90 1 44 LYS HA 1 45 ASP H . . 3.560 2.913 2.910 2.931 . 0 0 "[ . 1]" 1
91 1 45 ASP H 1 45 ASP HB3 . . 3.870 3.466 2.852 3.759 . 0 0 "[ . 1]" 1
92 1 45 ASP H 1 45 ASP HB2 . . 3.870 2.604 2.496 2.804 . 0 0 "[ . 1]" 1
93 1 43 ALA MB 1 45 ASP H . . 4.610 4.342 4.285 4.398 . 0 0 "[ . 1]" 1
94 1 42 LEU MD2 1 45 ASP H . . 5.110 4.916 4.650 5.058 . 0 0 "[ . 1]" 1
95 1 45 ASP HA 1 47 ALA H . . 3.740 3.590 3.443 3.631 . 0 0 "[ . 1]" 1
96 1 46 VAL HB 1 47 ALA H . . 3.760 2.551 2.525 2.684 . 0 0 "[ . 1]" 1
97 1 47 ALA H 1 47 ALA MB . . 3.150 2.110 2.032 2.235 . 0 0 "[ . 1]" 1
98 1 46 VAL MG1 1 47 ALA H . . 4.880 3.468 3.403 3.512 . 0 0 "[ . 1]" 1
99 1 46 VAL H 1 47 ALA H . . 3.640 2.854 2.813 2.866 . 0 0 "[ . 1]" 1
100 1 47 ALA MB 1 48 GLN H . . 3.290 2.591 2.384 2.698 . 0 0 "[ . 1]" 1
101 1 48 GLN H 1 49 VAL MG2 . . 4.090 3.634 3.595 3.823 . 0 0 "[ . 1]" 1
102 1 48 GLN H 1 49 VAL MG1 . . 4.910 4.677 4.596 4.762 . 0 0 "[ . 1]" 1
103 1 48 GLN H 1 48 GLN HB2 . . 3.230 2.453 2.308 2.570 . 0 0 "[ . 1]" 1
104 1 48 GLN H 1 48 GLN HB3 . . 3.310 2.599 2.478 2.761 . 0 0 "[ . 1]" 1
105 1 45 ASP HA 1 48 GLN H . . 4.110 3.848 3.734 4.004 . 0 0 "[ . 1]" 1
106 1 48 GLN H 1 49 VAL H . . 3.740 2.937 2.921 2.985 . 0 0 "[ . 1]" 1
107 1 47 ALA H 1 48 GLN H . . 3.710 2.712 2.697 2.776 . 0 0 "[ . 1]" 1
108 1 48 GLN HB2 1 48 GLN HE21 . . 4.310 3.973 3.748 4.233 . 0 0 "[ . 1]" 1
109 1 48 GLN HE21 1 52 LEU HG . . 4.220 2.127 1.981 2.317 . 0 0 "[ . 1]" 1
110 1 48 GLN HE21 1 52 LEU MD1 . . 4.320 3.167 2.975 3.397 . 0 0 "[ . 1]" 1
111 1 48 GLN HE21 1 52 LEU MD2 . . 4.460 2.596 2.452 2.756 . 0 0 "[ . 1]" 1
112 1 48 GLN HE22 1 52 LEU MD2 . . 3.650 2.879 2.734 3.147 . 0 0 "[ . 1]" 1
113 1 48 GLN HE22 1 48 GLN HG3 . . 3.700 3.486 3.447 3.518 . 0 0 "[ . 1]" 1
114 1 48 GLN HB2 1 48 GLN HE22 . . 4.690 4.479 4.311 4.638 . 0 0 "[ . 1]" 1
115 1 48 GLN HE22 1 52 LEU HG . . 3.750 3.551 3.387 3.748 . 0 0 "[ . 1]" 1
116 1 49 VAL H 1 49 VAL MG2 . . 3.210 1.923 1.898 2.037 . 0 0 "[ . 1]" 1
117 1 48 GLN HB2 1 49 VAL H . . 3.990 3.571 3.479 3.648 . 0 0 "[ . 1]" 1
118 1 48 GLN HB3 1 49 VAL H . . 3.760 2.104 2.078 2.151 . 0 0 "[ . 1]" 1
119 1 48 GLN HA 1 50 GLY H . . 4.600 4.585 4.336 4.617 0.017 2 0 "[ . 1]" 1
120 1 49 VAL HB 1 50 GLY H . . 3.730 3.451 3.415 3.724 . 0 0 "[ . 1]" 1
121 1 50 GLY H 1 51 LYS H . . 3.550 2.885 2.777 2.924 . 0 0 "[ . 1]" 1
122 1 52 LEU H 1 52 LEU HG . . 3.130 2.364 2.336 2.385 . 0 0 "[ . 1]" 1
123 1 52 LEU H 1 52 LEU HB2 . . 3.700 2.448 2.439 2.458 . 0 0 "[ . 1]" 1
124 1 52 LEU H 1 52 LEU MD2 . . 3.340 3.137 3.109 3.160 . 0 0 "[ . 1]" 1
125 1 51 LYS H 1 52 LEU H . . 3.610 2.712 2.611 2.733 . 0 0 "[ . 1]" 1
126 1 68 TYR H 1 69 GLU H . . 3.410 2.812 2.751 2.895 . 0 0 "[ . 1]" 1
127 1 67 PRO HB2 1 69 GLU H . . 5.500 5.370 5.285 5.458 . 0 0 "[ . 1]" 1
128 1 69 GLU H 1 71 LYS HB2 . . 5.500 5.229 5.154 5.394 . 0 0 "[ . 1]" 1
129 1 69 GLU H 1 69 GLU HB2 . . 3.600 2.368 2.321 2.473 . 0 0 "[ . 1]" 1
130 1 69 GLU H 1 69 GLU HB3 . . 3.780 3.576 3.565 3.589 . 0 0 "[ . 1]" 1
131 1 69 GLU H 1 70 LYS H . . 3.690 2.655 2.620 2.743 . 0 0 "[ . 1]" 1
132 1 52 LEU H 1 53 ILE H . . 3.660 2.714 2.673 2.924 . 0 0 "[ . 1]" 1
133 1 53 ILE H 1 53 ILE HG13 . . 4.020 3.618 3.582 3.827 . 0 0 "[ . 1]" 1
134 1 53 ILE H 1 53 ILE HB . . 3.420 2.643 2.289 2.690 . 0 0 "[ . 1]" 1
135 1 53 ILE H 1 53 ILE MG . . 3.970 3.750 3.679 3.762 . 0 0 "[ . 1]" 1
136 1 53 ILE H 1 53 ILE MD . . 3.620 2.379 2.067 2.453 . 0 0 "[ . 1]" 1
137 1 53 ILE H 1 53 ILE HG12 . . 4.020 2.272 2.081 3.860 . 0 0 "[ . 1]" 1
138 1 53 ILE H 1 54 GLY H . . 3.850 2.788 2.664 2.839 . 0 0 "[ . 1]" 1
139 1 53 ILE HB 1 54 GLY H . . 3.750 2.360 2.226 2.539 . 0 0 "[ . 1]" 1
140 1 53 ILE MG 1 54 GLY H . . 3.980 3.404 2.670 3.640 . 0 0 "[ . 1]" 1
141 1 53 ILE MD 1 54 GLY H . . 4.480 4.286 4.052 4.314 . 0 0 "[ . 1]" 1
142 1 55 GLU H 1 55 GLU HG3 . . 4.000 3.299 2.631 3.877 . 0 0 "[ . 1]" 1
143 1 55 GLU H 1 55 GLU HB3 . . 3.700 3.373 2.602 3.584 . 0 0 "[ . 1]" 1
144 1 52 LEU MD2 1 55 GLU H . . 5.500 5.208 5.152 5.392 . 0 0 "[ . 1]" 1
145 1 56 ALA H 1 57 TRP H . . 3.570 2.769 2.653 2.903 . 0 0 "[ . 1]" 1
146 1 55 GLU H 1 56 ALA H . . 3.830 2.776 2.710 2.841 . 0 0 "[ . 1]" 1
147 1 55 GLU HB3 1 56 ALA H . . 3.940 3.388 3.110 3.898 . 0 0 "[ . 1]" 1
148 1 56 ALA H 1 56 ALA MB . . 3.110 2.202 2.036 2.238 . 0 0 "[ . 1]" 1
149 1 55 GLU HG2 1 56 ALA H . . 4.940 4.078 1.952 4.916 . 0 0 "[ . 1]" 1
150 1 59 GLN H 1 59 GLN HG3 . . 4.010 3.656 3.486 3.803 . 0 0 "[ . 1]" 1
151 1 59 GLN H 1 59 GLN HB2 . . 3.910 3.676 3.589 3.778 . 0 0 "[ . 1]" 1
152 1 59 GLN H 1 59 GLN HB3 . . 3.400 2.637 2.420 2.861 . 0 0 "[ . 1]" 1
153 1 58 GLY H 1 59 GLN H . . 3.670 2.790 2.704 2.864 . 0 0 "[ . 1]" 1
154 1 56 ALA HA 1 59 GLN HE21 . . 4.470 2.764 1.989 4.075 . 0 0 "[ . 1]" 1
155 1 56 ALA HA 1 59 GLN HE22 . . 4.470 3.384 3.061 4.047 . 0 0 "[ . 1]" 1
156 1 60 LEU H 1 60 LEU HB3 . . 3.910 3.001 2.697 3.241 . 0 0 "[ . 1]" 1
157 1 60 LEU H 1 60 LEU MD1 . . 4.340 3.799 3.263 4.326 . 0 0 "[ . 1]" 1
158 1 57 TRP H 1 60 LEU H . . 4.990 4.624 4.350 4.895 . 0 0 "[ . 1]" 1
159 1 60 LEU H 1 61 SER H . . 5.390 4.611 4.566 4.645 . 0 0 "[ . 1]" 1
160 1 59 GLN H 1 60 LEU H . . 3.330 2.381 2.153 2.518 . 0 0 "[ . 1]" 1
161 1 64 GLN H 1 65 LYS H . . 3.700 2.303 2.297 2.309 . 0 0 "[ . 1]" 1
162 1 65 LYS H 1 65 LYS HB3 . . 3.800 3.537 3.493 3.593 . 0 0 "[ . 1]" 1
163 1 63 ALA MB 1 65 LYS H . . 5.060 4.298 4.153 4.418 . 0 0 "[ . 1]" 1
164 1 65 LYS H 1 65 LYS HG3 . . 4.270 3.267 2.762 3.824 . 0 0 "[ . 1]" 1
165 1 65 LYS H 1 65 LYS HG2 . . 4.270 3.120 2.323 4.074 . 0 0 "[ . 1]" 1
166 1 66 ALA H 1 66 ALA MB . . 2.970 2.054 2.027 2.092 . 0 0 "[ . 1]" 1
167 1 65 LYS H 1 66 ALA H . . 3.500 2.567 2.557 2.572 . 0 0 "[ . 1]" 1
168 1 68 TYR H 1 68 TYR HB2 . . 4.070 2.479 2.235 2.708 . 0 0 "[ . 1]" 1
169 1 67 PRO HB2 1 68 TYR H . . 4.020 3.044 2.924 3.169 . 0 0 "[ . 1]" 1
170 1 70 LYS H 1 71 LYS H . . 3.540 2.887 2.840 3.000 . 0 0 "[ . 1]" 1
171 1 69 GLU HB2 1 70 LYS H . . 3.750 2.458 2.389 2.505 . 0 0 "[ . 1]" 1
172 1 69 GLU HB3 1 70 LYS H . . 3.660 3.347 3.272 3.425 . 0 0 "[ . 1]" 1
173 1 71 LYS H 1 71 LYS HB3 . . 4.130 3.538 3.452 3.590 . 0 0 "[ . 1]" 1
174 1 71 LYS H 1 71 LYS HB2 . . 3.480 2.309 2.139 2.548 . 0 0 "[ . 1]" 1
175 1 71 LYS H 1 71 LYS HG3 . . 4.180 3.625 2.494 4.131 . 0 0 "[ . 1]" 1
176 1 71 LYS H 1 73 GLN HB3 . . 5.440 5.284 5.129 5.413 . 0 0 "[ . 1]" 1
177 1 72 ALA H 1 73 GLN H . . 3.460 2.794 2.747 2.822 . 0 0 "[ . 1]" 1
178 1 71 LYS H 1 72 ALA H . . 3.340 2.734 2.655 2.864 . 0 0 "[ . 1]" 1
179 1 71 LYS HB2 1 72 ALA H . . 3.770 2.549 2.355 2.710 . 0 0 "[ . 1]" 1
180 1 73 GLN H 1 73 GLN HB3 . . 3.060 2.528 2.388 2.631 . 0 0 "[ . 1]" 1
181 1 72 ALA MB 1 73 GLN H . . 3.360 2.547 2.480 2.638 . 0 0 "[ . 1]" 1
182 1 73 GLN H 1 74 LEU H . . 3.610 2.812 2.727 2.889 . 0 0 "[ . 1]" 1
183 1 73 GLN HB3 1 74 LEU H . . 3.500 2.195 2.089 2.383 . 0 0 "[ . 1]" 1
184 1 74 LEU H 1 74 LEU HB2 . . 3.270 2.356 2.145 2.559 . 0 0 "[ . 1]" 1
185 1 74 LEU H 1 74 LEU HB3 . . 3.590 3.547 3.467 3.587 . 0 0 "[ . 1]" 1
186 1 74 LEU H 1 74 LEU MD2 . . 4.080 3.714 3.249 4.076 . 0 0 "[ . 1]" 1
187 1 74 LEU MD1 1 75 ASP H . . 5.500 4.314 4.043 4.579 . 0 0 "[ . 1]" 1
188 1 74 LEU MD2 1 75 ASP H . . 5.500 4.689 4.506 4.912 . 0 0 "[ . 1]" 1
189 1 74 LEU HB3 1 75 ASP H . . 4.070 3.392 2.961 3.742 . 0 0 "[ . 1]" 1
190 1 74 LEU HB2 1 75 ASP H . . 3.760 2.669 2.499 2.871 . 0 0 "[ . 1]" 1
191 1 72 ALA HA 1 75 ASP H . . 4.110 3.878 3.804 3.972 . 0 0 "[ . 1]" 1
192 1 74 LEU H 1 75 ASP H . . 3.720 2.826 2.767 2.886 . 0 0 "[ . 1]" 1
193 1 75 ASP H 1 76 LYS H . . 3.600 2.620 2.563 2.734 . 0 0 "[ . 1]" 1
194 1 76 LYS H 1 77 VAL H . . 3.490 2.750 2.679 2.839 . 0 0 "[ . 1]" 1
195 1 77 VAL H 1 77 VAL HB . . 3.410 2.558 2.503 2.629 . 0 0 "[ . 1]" 1
196 1 77 VAL H 1 77 VAL MG2 . . 3.880 2.804 2.048 3.769 . 0 0 "[ . 1]" 1
197 1 74 LEU HA 1 77 VAL H . . 3.720 3.704 3.562 3.732 0.012 7 0 "[ . 1]" 1
198 1 78 ARG HB3 1 79 TYR H . . 4.170 3.032 2.287 3.829 . 0 0 "[ . 1]" 1
199 1 79 TYR H 1 81 LYS H . . 4.550 4.410 4.161 4.519 . 0 0 "[ . 1]" 1
200 1 80 SER H 1 83 ILE MG . . 4.530 4.268 4.244 4.305 . 0 0 "[ . 1]" 1
201 1 80 SER H 1 82 GLU HB2 . . 5.500 4.813 4.760 4.931 . 0 0 "[ . 1]" 1
202 1 79 TYR H 1 80 SER H . . 3.760 2.700 2.641 2.752 . 0 0 "[ . 1]" 1
203 1 80 SER H 1 81 LYS H . . 3.600 2.895 2.850 2.951 . 0 0 "[ . 1]" 1
204 1 81 LYS H 1 84 GLU H . . 4.890 4.621 4.601 4.626 . 0 0 "[ . 1]" 1
205 1 81 LYS H 1 82 GLU H . . 3.400 2.741 2.719 2.746 . 0 0 "[ . 1]" 1
206 1 82 GLU H 1 82 GLU HB2 . . 3.420 2.254 2.212 2.375 . 0 0 "[ . 1]" 1
207 1 82 GLU H 1 82 GLU HB3 . . 4.080 3.529 3.510 3.574 . 0 0 "[ . 1]" 1
208 1 82 GLU H 1 82 GLU HG3 . . 4.140 3.327 2.762 3.779 . 0 0 "[ . 1]" 1
209 1 82 GLU H 1 82 GLU HG2 . . 4.140 3.190 2.451 4.050 . 0 0 "[ . 1]" 1
210 1 82 GLU H 1 83 ILE H . . 3.600 3.043 3.024 3.051 . 0 0 "[ . 1]" 1
211 1 83 ILE H 1 83 ILE HB . . 3.390 2.419 2.410 2.423 . 0 0 "[ . 1]" 1
212 1 83 ILE H 1 83 ILE MG . . 3.590 2.253 2.246 2.268 . 0 0 "[ . 1]" 1
213 1 83 ILE H 1 84 GLU H . . 3.500 2.661 2.652 2.670 . 0 0 "[ . 1]" 1
214 1 82 GLU H 1 84 GLU H . . 4.000 3.872 3.863 3.880 . 0 0 "[ . 1]" 1
215 1 84 GLU H 1 85 GLU H . . 3.560 2.881 2.870 2.884 . 0 0 "[ . 1]" 1
216 1 83 ILE HB 1 84 GLU H . . 4.100 3.948 3.945 3.952 . 0 0 "[ . 1]" 1
217 1 83 ILE HG13 1 84 GLU H . . 4.420 4.231 4.222 4.244 . 0 0 "[ . 1]" 1
218 1 83 ILE MG 1 84 GLU H . . 3.580 2.261 2.254 2.272 . 0 0 "[ . 1]" 1
219 1 80 SER HA 1 84 GLU H . . 4.610 4.129 4.066 4.146 . 0 0 "[ . 1]" 1
220 1 85 GLU H 1 86 TYR H . . 3.510 2.658 2.639 2.702 . 0 0 "[ . 1]" 1
221 1 85 GLU H 1 86 TYR HB2 . . 4.510 4.503 4.485 4.530 0.020 8 0 "[ . 1]" 1
222 1 85 GLU H 1 85 GLU HG3 . . 3.770 3.010 2.342 3.483 . 0 0 "[ . 1]" 1
223 1 84 GLU HB2 1 85 GLU H . . 3.220 2.705 2.637 2.730 . 0 0 "[ . 1]" 1
224 1 87 ARG H 1 87 ARG HB2 . . 3.090 2.395 2.244 2.562 . 0 0 "[ . 1]" 1
225 1 86 TYR HB3 1 87 ARG H . . 3.700 2.963 2.923 2.997 . 0 0 "[ . 1]" 1
226 1 87 ARG HB2 1 88 LYS H . . 4.140 3.672 2.703 3.876 . 0 0 "[ . 1]" 1
227 1 87 ARG H 1 88 LYS H . . 3.560 2.742 2.724 2.758 . 0 0 "[ . 1]" 1
228 1 90 ASN H 1 90 ASN HB2 . . 3.950 2.306 2.283 2.312 . 0 0 "[ . 1]" 1
229 1 89 LYS H 1 90 ASN H . . 4.220 2.733 2.708 2.745 . 0 0 "[ . 1]" 1
230 1 90 ASN HB2 1 90 ASN HD22 . . 4.060 3.492 3.490 3.496 . 0 0 "[ . 1]" 1
231 1 92 GLU H 1 92 GLU HB3 . . 4.150 3.127 2.495 3.795 . 0 0 "[ . 1]" 1
232 1 92 GLU H 1 92 GLU HB2 . . 4.150 2.574 2.337 3.589 . 0 0 "[ . 1]" 1
233 1 91 GLN HA 1 92 GLU H . . 3.120 2.354 2.139 2.908 . 0 0 "[ . 1]" 1
234 1 15 LEU H 1 16 ALA H . . 3.530 2.638 2.383 2.816 . 0 0 "[ . 1]" 1
235 1 22 SER H 1 25 MET HB3 . . 4.260 3.734 2.664 4.254 . 0 0 "[ . 1]" 1
236 1 28 VAL H 1 28 VAL HB . . 3.750 2.778 2.521 3.612 . 0 0 "[ . 1]" 1
237 1 27 TYR HB3 1 28 VAL H . . 4.290 2.624 2.107 3.327 . 0 0 "[ . 1]" 1
238 1 27 TYR HB2 1 28 VAL H . . 4.290 3.494 2.994 3.902 . 0 0 "[ . 1]" 1
239 1 28 VAL H 1 29 LYS H . . 3.830 2.847 2.681 3.021 . 0 0 "[ . 1]" 1
240 1 28 VAL H 1 28 VAL MG1 . . 3.860 3.463 2.230 3.767 . 0 0 "[ . 1]" 1
241 1 28 VAL H 1 28 VAL MG2 . . 3.860 2.157 1.925 2.312 . 0 0 "[ . 1]" 1
242 1 25 MET HA 1 28 VAL H . . 3.830 3.499 3.255 3.831 0.001 3 0 "[ . 1]" 1
243 1 31 LYS HB2 1 32 ARG H . . 4.180 3.256 2.490 3.625 . 0 0 "[ . 1]" 1
244 1 32 ARG H 1 32 ARG HB2 . . 4.080 2.307 2.097 2.751 . 0 0 "[ . 1]" 1
245 1 32 ARG H 1 33 LEU H . . 3.770 2.899 2.784 3.061 . 0 0 "[ . 1]" 1
246 1 30 ASP H 1 32 ARG H . . 4.520 4.263 4.042 4.506 . 0 0 "[ . 1]" 1
247 1 32 ARG H 1 49 VAL MG1 . . 5.080 4.985 4.805 5.085 0.005 8 0 "[ . 1]" 1
248 1 33 LEU MD2 1 34 GLU H . . 4.910 4.697 4.526 4.863 . 0 0 "[ . 1]" 1
249 1 36 ILE MG 1 37 LYS H . . 3.830 3.527 3.184 3.738 . 0 0 "[ . 1]" 1
250 1 41 GLU HG3 1 42 LEU H . . 4.630 4.299 4.158 4.379 . 0 0 "[ . 1]" 1
251 1 35 ILE MG 1 43 ALA H . . 4.990 4.752 4.618 4.901 . 0 0 "[ . 1]" 1
252 1 36 ILE MG 1 43 ALA H . . 5.360 4.282 4.036 4.580 . 0 0 "[ . 1]" 1
253 1 43 ALA MB 1 44 LYS H . . 3.930 2.823 2.632 2.901 . 0 0 "[ . 1]" 1
254 1 45 ASP H 1 49 VAL MG2 . . 5.220 4.287 4.007 4.359 . 0 0 "[ . 1]" 1
255 1 45 ASP HA 1 46 VAL H . . 2.880 2.384 2.314 2.462 . 0 0 "[ . 1]" 1
256 1 46 VAL H 1 47 ALA MB . . 4.630 4.443 4.410 4.511 . 0 0 "[ . 1]" 1
257 1 78 ARG H 1 78 ARG HB2 . . 3.970 2.491 2.202 3.552 . 0 0 "[ . 1]" 1
258 1 46 VAL H 1 46 VAL HB . . 3.230 2.633 2.610 2.672 . 0 0 "[ . 1]" 1
259 1 77 VAL HB 1 78 ARG H . . 3.980 2.998 2.192 3.980 0.000 6 0 "[ . 1]" 1
260 1 78 ARG H 1 79 TYR H . . 3.980 2.780 2.675 2.951 . 0 0 "[ . 1]" 1
261 1 77 VAL H 1 78 ARG H . . 3.670 2.665 2.557 2.756 . 0 0 "[ . 1]" 1
262 1 78 ARG H 1 78 ARG HB3 . . 3.970 3.091 2.302 3.563 . 0 0 "[ . 1]" 1
263 1 77 VAL MG1 1 78 ARG H . . 4.150 2.787 2.088 3.368 . 0 0 "[ . 1]" 1
264 1 52 LEU H 1 52 LEU HB3 . . 3.700 3.582 3.580 3.583 . 0 0 "[ . 1]" 1
265 1 52 LEU H 1 53 ILE MD . . 4.670 4.202 4.085 4.231 . 0 0 "[ . 1]" 1
266 1 52 LEU MD2 1 56 ALA H . . 5.500 4.935 4.693 5.157 . 0 0 "[ . 1]" 1
267 1 53 ILE MG 1 56 ALA H . . 5.500 4.985 4.837 5.189 . 0 0 "[ . 1]" 1
268 1 60 LEU HA 1 61 SER H . . 3.190 2.301 2.172 2.533 . 0 0 "[ . 1]" 1
269 1 61 SER H 1 64 GLN HB2 . . 4.290 4.007 3.489 4.303 0.013 7 0 "[ . 1]" 1
270 1 60 LEU MD1 1 61 SER H . . 4.240 2.949 1.860 4.261 0.021 5 0 "[ . 1]" 1
271 1 57 TRP H 1 58 GLY H . . 3.940 2.769 2.728 2.881 . 0 0 "[ . 1]" 1
272 1 57 TRP H 1 57 TRP HB3 . . 3.820 2.217 2.161 2.324 . 0 0 "[ . 1]" 1
273 1 57 TRP H 1 57 TRP HB2 . . 3.820 2.930 2.755 3.004 . 0 0 "[ . 1]" 1
274 1 56 ALA MB 1 57 TRP H . . 3.590 2.606 2.321 2.728 . 0 0 "[ . 1]" 1
275 1 53 ILE MG 1 57 TRP H . . 4.220 4.066 3.722 4.219 . 0 0 "[ . 1]" 1
276 1 53 ILE MD 1 57 TRP H . . 5.500 5.441 5.358 5.580 0.080 4 0 "[ . 1]" 1
277 1 60 LEU MD2 1 61 SER H . . 4.240 3.361 2.012 4.212 . 0 0 "[ . 1]" 1
278 1 57 TRP HB3 1 58 GLY H . . 4.270 2.490 2.415 2.636 . 0 0 "[ . 1]" 1
279 1 57 TRP HB2 1 58 GLY H . . 4.270 3.853 3.806 3.953 . 0 0 "[ . 1]" 1
280 1 58 GLY H 1 60 LEU H . . 4.250 4.024 3.939 4.092 . 0 0 "[ . 1]" 1
281 1 60 LEU H 1 60 LEU HB2 . . 3.910 2.151 2.065 2.328 . 0 0 "[ . 1]" 1
282 1 67 PRO HB3 1 68 TYR H . . 4.430 3.973 3.904 4.045 . 0 0 "[ . 1]" 1
283 1 23 ALA MB 1 68 TYR H . . 5.160 4.753 4.080 5.165 0.005 5 0 "[ . 1]" 1
284 1 23 ALA MB 1 69 GLU H . . 5.060 4.980 4.785 5.069 0.009 3 0 "[ . 1]" 1
285 1 65 LYS HB3 1 69 GLU H . . 5.290 4.428 4.264 4.516 . 0 0 "[ . 1]" 1
286 1 42 LEU H 1 42 LEU MD1 . . 4.140 3.610 3.304 3.893 . 0 0 "[ . 1]" 1
287 1 86 TYR H 1 86 TYR HB3 . . 3.450 3.492 3.480 3.498 0.048 2 0 "[ . 1]" 1
288 1 70 LYS HA 1 72 ALA H . . 4.920 4.804 4.740 4.867 . 0 0 "[ . 1]" 1
289 1 71 LYS HB3 1 72 ALA H . . 4.190 3.251 2.984 3.452 . 0 0 "[ . 1]" 1
290 1 69 GLU HA 1 72 ALA H . . 4.120 3.639 3.538 3.812 . 0 0 "[ . 1]" 1
291 1 40 PRO HA 1 42 LEU H . . 4.360 4.200 4.044 4.355 . 0 0 "[ . 1]" 1
292 1 82 GLU HB3 1 83 ILE H . . 4.100 2.776 2.722 2.955 . 0 0 "[ . 1]" 1
293 1 83 ILE H 1 84 GLU HB2 . . 5.350 4.497 4.486 4.525 . 0 0 "[ . 1]" 1
294 1 82 GLU HB2 1 83 ILE H . . 4.400 2.395 2.253 2.443 . 0 0 "[ . 1]" 1
295 1 89 LYS H 1 89 LYS HB3 . . 3.200 2.905 2.833 2.921 . 0 0 "[ . 1]" 1
296 1 18 LYS H 1 19 ARG H . . 4.680 4.553 4.420 4.622 . 0 0 "[ . 1]" 1
297 1 19 ARG H 1 20 ALA H . . 4.490 4.347 4.218 4.492 0.002 4 0 "[ . 1]" 1
298 1 20 ALA H 1 21 LEU H . . 4.540 4.497 4.461 4.547 0.007 9 0 "[ . 1]" 1
299 1 21 LEU H 1 22 SER H . . 4.970 4.616 4.548 4.641 . 0 0 "[ . 1]" 1
300 1 22 SER H 1 23 ALA H . . 5.310 4.538 4.414 4.629 . 0 0 "[ . 1]" 1
301 1 22 SER HA 1 24 TYR H . . 4.540 4.304 3.955 4.539 . 0 0 "[ . 1]" 1
302 1 21 LEU HB2 1 26 PHE H . . 5.470 4.873 3.691 5.470 0.000 4 0 "[ . 1]" 1
303 1 35 ILE MG 1 49 VAL H . . 5.500 4.985 4.676 5.244 . 0 0 "[ . 1]" 1
304 1 21 LEU HB3 1 26 PHE H . . 4.720 3.931 3.592 4.260 . 0 0 "[ . 1]" 1
305 1 23 ALA HA 1 26 PHE H . . 4.000 3.581 3.316 3.806 . 0 0 "[ . 1]" 1
306 1 26 PHE H 1 29 LYS H . . 5.040 4.874 4.688 4.995 . 0 0 "[ . 1]" 1
307 1 24 TYR HA 1 27 TYR H . . 4.270 3.754 3.467 4.075 . 0 0 "[ . 1]" 1
308 1 28 VAL H 1 53 ILE MG . . 4.530 4.398 4.092 4.548 0.018 4 0 "[ . 1]" 1
309 1 29 LYS H 1 30 ASP HA . . 5.500 5.329 5.273 5.412 . 0 0 "[ . 1]" 1
310 1 29 LYS H 1 31 LYS H . . 4.650 4.539 4.216 4.657 0.007 9 0 "[ . 1]" 1
311 1 27 TYR HA 1 31 LYS H . . 4.510 3.763 3.435 4.153 . 0 0 "[ . 1]" 1
312 1 33 LEU H 1 33 LEU MD2 . . 4.130 3.871 3.702 4.170 0.040 5 0 "[ . 1]" 1
313 1 30 ASP HA 1 33 LEU H . . 4.280 3.890 3.685 4.189 . 0 0 "[ . 1]" 1
314 1 33 LEU MD1 1 34 GLU H . . 4.910 4.347 4.167 4.482 . 0 0 "[ . 1]" 1
315 1 34 GLU H 1 35 ILE HG13 . . 4.820 4.440 4.306 4.698 . 0 0 "[ . 1]" 1
316 1 34 GLU H 1 36 ILE H . . 4.640 3.975 3.806 4.094 . 0 0 "[ . 1]" 1
317 1 42 LEU H 1 43 ALA MB . . 4.140 4.084 4.047 4.140 0.000 4 0 "[ . 1]" 1
318 1 39 LYS HA 1 42 LEU H . . 4.550 4.369 4.217 4.508 . 0 0 "[ . 1]" 1
319 1 40 PRO HB2 1 43 ALA H . . 5.490 4.937 4.779 5.088 . 0 0 "[ . 1]" 1
320 1 41 GLU HG3 1 43 ALA H . . 5.500 5.237 5.125 5.305 . 0 0 "[ . 1]" 1
321 1 41 GLU HG2 1 43 ALA H . . 5.500 5.343 5.255 5.446 . 0 0 "[ . 1]" 1
322 1 48 GLN HE22 1 52 LEU H . . 4.890 4.679 4.462 4.884 . 0 0 "[ . 1]" 1
323 1 48 GLN HG3 1 49 VAL H . . 4.090 3.338 3.103 3.628 . 0 0 "[ . 1]" 1
324 1 47 ALA MB 1 49 VAL H . . 5.500 4.908 4.808 4.948 . 0 0 "[ . 1]" 1
325 1 51 LYS H 1 52 LEU MD2 . . 5.030 5.055 5.052 5.057 0.027 1 0 "[ . 1]" 1
326 1 51 LYS H 1 51 LYS HG3 . . 4.630 3.947 3.572 4.392 . 0 0 "[ . 1]" 1
327 1 55 GLU H 1 56 ALA MB . . 4.570 4.377 4.317 4.419 . 0 0 "[ . 1]" 1
328 1 58 GLY H 1 59 GLN HB3 . . 5.400 5.114 4.952 5.220 . 0 0 "[ . 1]" 1
329 1 56 ALA MB 1 58 GLY H . . 5.200 4.851 4.579 4.991 . 0 0 "[ . 1]" 1
330 1 58 GLY H 1 59 GLN HA . . 5.500 5.384 5.315 5.434 . 0 0 "[ . 1]" 1
331 1 44 LYS H 1 45 ASP H . . 4.500 2.839 2.779 2.875 . 0 0 "[ . 1]" 1
332 1 69 GLU H 1 69 GLU HG2 . . 3.950 2.704 2.485 3.482 . 0 0 "[ . 1]" 1
333 1 55 GLU HG3 1 56 ALA H . . 4.940 4.230 2.567 4.793 . 0 0 "[ . 1]" 1
334 1 57 TRP H 1 59 GLN H . . 4.700 3.911 3.715 4.140 . 0 0 "[ . 1]" 1
335 1 57 TRP HE1 1 58 GLY H . . 5.500 5.574 5.510 5.596 0.096 4 0 "[ . 1]" 1
336 1 59 GLN HB3 1 59 GLN HE22 . . 4.990 4.297 3.376 4.599 . 0 0 "[ . 1]" 1
337 1 61 SER H 1 64 GLN H . . 4.580 4.458 4.287 4.620 0.040 4 0 "[ . 1]" 1
338 1 64 GLN HB2 1 65 LYS H . . 4.390 2.930 2.810 3.088 . 0 0 "[ . 1]" 1
339 1 72 ALA H 1 74 LEU H . . 5.030 4.636 4.479 4.792 . 0 0 "[ . 1]" 1
340 1 74 LEU H 1 76 LYS H . . 5.280 4.217 4.032 4.370 . 0 0 "[ . 1]" 1
341 1 75 ASP H 1 77 VAL H . . 4.790 4.279 4.001 4.526 . 0 0 "[ . 1]" 1
342 1 75 ASP HA 1 77 VAL H . . 4.970 4.546 4.310 4.766 . 0 0 "[ . 1]" 1
343 1 78 ARG HB2 1 79 TYR H . . 4.170 3.118 2.523 4.044 . 0 0 "[ . 1]" 1
344 1 75 ASP HA 1 79 TYR H . . 4.360 3.682 3.511 3.892 . 0 0 "[ . 1]" 1
345 1 86 TYR H 1 86 TYR HB2 . . 3.530 2.183 2.167 2.191 . 0 0 "[ . 1]" 1
346 1 87 ARG H 1 90 ASN HD21 . . 4.240 3.511 3.484 3.526 . 0 0 "[ . 1]" 1
347 1 88 LYS H 1 90 ASN HB2 . . 4.850 4.543 4.471 4.563 . 0 0 "[ . 1]" 1
348 1 89 LYS HB3 1 90 ASN H . . 4.850 4.582 4.554 4.586 . 0 0 "[ . 1]" 1
349 1 55 GLU HB2 1 56 ALA H . . 3.940 2.688 2.395 3.562 . 0 0 "[ . 1]" 1
350 1 16 ALA HA 1 17 PRO HD3 . . 3.300 2.345 2.344 2.345 . 0 0 "[ . 1]" 1
351 1 14 PRO HA 1 16 ALA H . . 4.380 3.980 3.466 4.368 . 0 0 "[ . 1]" 1
352 1 59 GLN HA 1 59 GLN HG2 . . 4.000 3.695 3.625 3.796 . 0 0 "[ . 1]" 1
353 1 41 GLU HG3 1 42 LEU MD2 . . 4.440 4.348 4.150 4.435 . 0 0 "[ . 1]" 1
354 1 42 LEU MD2 1 45 ASP HB2 . . 3.940 3.188 2.526 3.467 . 0 0 "[ . 1]" 1
355 1 42 LEU MD2 1 45 ASP HB3 . . 3.940 3.495 3.235 3.687 . 0 0 "[ . 1]" 1
356 1 42 LEU H 1 42 LEU MD2 . . 4.260 3.758 3.561 3.846 . 0 0 "[ . 1]" 1
357 1 16 ALA HA 1 17 PRO HD2 . . 3.300 2.504 2.503 2.504 . 0 0 "[ . 1]" 1
358 1 16 ALA HA 1 90 ASN HD21 . . 4.470 4.134 3.522 4.448 . 0 0 "[ . 1]" 1
359 1 16 ALA MB 1 90 ASN HD21 . . 5.360 4.703 3.772 5.260 . 0 0 "[ . 1]" 1
360 1 16 ALA MB 1 17 PRO HD2 . . 3.540 2.041 1.966 2.095 . 0 0 "[ . 1]" 1
361 1 16 ALA MB 1 17 PRO HD3 . . 3.540 3.161 3.152 3.168 . 0 0 "[ . 1]" 1
362 1 16 ALA HA 1 17 PRO HG3 . . 4.700 4.537 4.536 4.538 . 0 0 "[ . 1]" 1
363 1 16 ALA HA 1 17 PRO HG2 . . 4.700 4.598 4.597 4.599 . 0 0 "[ . 1]" 1
364 1 16 ALA HA 1 83 ILE MD . . 4.680 3.232 2.999 3.596 . 0 0 "[ . 1]" 1
365 1 16 ALA MB 1 17 PRO HB3 . . 5.260 4.951 4.933 4.975 . 0 0 "[ . 1]" 1
366 1 16 ALA HA 1 17 PRO HB3 . . 4.930 4.868 4.867 4.869 . 0 0 "[ . 1]" 1
367 1 15 LEU HA 1 16 ALA MB . . 4.860 4.677 4.634 4.854 . 0 0 "[ . 1]" 1
368 1 15 LEU H 1 16 ALA MB . . 4.910 3.945 3.454 4.340 . 0 0 "[ . 1]" 1
369 1 16 ALA HA 1 17 PRO HA . . 4.570 4.388 4.387 4.388 . 0 0 "[ . 1]" 1
370 1 16 ALA MB 1 83 ILE HA . . 5.020 4.876 4.461 5.025 0.005 8 0 "[ . 1]" 1
371 1 16 ALA MB 1 17 PRO HA . . 4.930 4.355 4.351 4.360 . 0 0 "[ . 1]" 1
372 1 17 PRO HA 1 18 LYS HB2 . . 5.110 4.504 4.339 4.651 . 0 0 "[ . 1]" 1
373 1 17 PRO HA 1 18 LYS HB3 . . 5.110 4.911 4.698 5.115 0.005 7 0 "[ . 1]" 1
374 1 17 PRO HA 1 18 LYS H . . 3.020 2.506 2.172 2.636 . 0 0 "[ . 1]" 1
375 1 17 PRO HD3 1 83 ILE MD . . 4.580 2.705 2.333 3.058 . 0 0 "[ . 1]" 1
376 1 17 PRO HB3 1 90 ASN HD22 . . 5.500 5.404 5.012 5.484 . 0 0 "[ . 1]" 1
377 1 16 ALA MB 1 17 PRO HB2 . . 4.960 4.930 4.911 4.965 0.005 9 0 "[ . 1]" 1
378 1 17 PRO HB2 1 83 ILE MD . . 5.020 4.755 4.331 4.977 . 0 0 "[ . 1]" 1
379 1 21 LEU HA 1 21 LEU HG . . 3.910 2.734 2.335 3.013 . 0 0 "[ . 1]" 1
380 1 17 PRO HG2 1 83 ILE HA . . 4.150 3.753 3.328 4.085 . 0 0 "[ . 1]" 1
381 1 42 LEU HA 1 42 LEU HG . . 3.690 2.969 2.904 3.094 . 0 0 "[ . 1]" 1
382 1 42 LEU HA 1 42 LEU MD2 . . 2.890 2.204 1.973 2.515 . 0 0 "[ . 1]" 1
383 1 19 ARG HA 1 19 ARG HG3 . . 3.800 3.614 3.598 3.629 . 0 0 "[ . 1]" 1
384 1 19 ARG HA 1 20 ALA MB . . 4.060 3.899 3.770 4.071 0.011 9 0 "[ . 1]" 1
385 1 18 LYS HA 1 19 ARG HA . . 5.050 4.458 4.366 4.520 . 0 0 "[ . 1]" 1
386 1 19 ARG HA 1 20 ALA HA . . 5.420 4.404 4.297 4.446 . 0 0 "[ . 1]" 1
387 1 32 ARG HD2 1 49 VAL MG1 . . 4.730 3.469 1.999 4.324 . 0 0 "[ . 1]" 1
388 1 35 ILE HG12 1 35 ILE MG . . 3.240 2.151 2.101 2.241 . 0 0 "[ . 1]" 1
389 1 32 ARG HB3 1 33 LEU H . . 4.450 2.557 2.038 3.272 . 0 0 "[ . 1]" 1
390 1 20 ALA HA 1 21 LEU H . . 3.220 2.368 2.153 2.405 . 0 0 "[ . 1]" 1
391 1 20 ALA HA 1 21 LEU HB2 . . 4.930 4.655 4.440 4.842 . 0 0 "[ . 1]" 1
392 1 20 ALA HA 1 21 LEU HG . . 5.110 4.399 3.791 5.114 0.004 4 0 "[ . 1]" 1
393 1 21 LEU HA 1 21 LEU MD2 . . 4.400 2.613 1.963 3.676 . 0 0 "[ . 1]" 1
394 1 21 LEU HB2 1 25 MET HB3 . . 4.970 4.302 3.283 4.903 . 0 0 "[ . 1]" 1
395 1 21 LEU HB2 1 25 MET HB2 . . 4.970 4.390 3.695 4.913 . 0 0 "[ . 1]" 1
396 1 21 LEU MD1 1 25 MET HG3 . . 5.090 4.364 3.144 5.104 0.014 10 0 "[ . 1]" 1
397 1 28 VAL HA 1 28 VAL MG1 . . 3.530 2.338 2.263 2.402 . 0 0 "[ . 1]" 1
398 1 21 LEU HA 1 21 LEU MD1 . . 4.400 3.640 2.950 3.936 . 0 0 "[ . 1]" 1
399 1 21 LEU MD1 1 22 SER H . . 4.730 4.497 4.293 4.760 0.030 10 0 "[ . 1]" 1
400 1 22 SER HA 1 23 ALA H . . 3.270 2.463 2.244 2.647 . 0 0 "[ . 1]" 1
401 1 22 SER HA 1 23 ALA MB . . 4.240 4.162 4.015 4.270 0.030 4 0 "[ . 1]" 1
402 1 28 VAL HA 1 28 VAL MG2 . . 3.530 2.513 2.292 3.201 . 0 0 "[ . 1]" 1
403 1 23 ALA MB 1 25 MET H . . 4.860 4.718 4.459 4.864 0.004 5 0 "[ . 1]" 1
404 1 23 ALA MB 1 24 TYR HA . . 4.800 3.792 3.679 3.887 . 0 0 "[ . 1]" 1
405 1 25 MET HA 1 28 VAL MG1 . . 4.050 3.967 3.788 4.056 0.006 10 0 "[ . 1]" 1
406 1 25 MET HA 1 25 MET HG3 . . 4.040 3.044 2.291 3.820 . 0 0 "[ . 1]" 1
407 1 25 MET HA 1 25 MET HG2 . . 4.040 3.195 2.161 3.749 . 0 0 "[ . 1]" 1
408 1 21 LEU MD2 1 25 MET HG3 . . 5.090 2.854 2.074 3.725 . 0 0 "[ . 1]" 1
409 1 21 LEU MD1 1 25 MET HG2 . . 5.090 4.321 1.987 5.099 0.009 4 0 "[ . 1]" 1
410 1 21 LEU MD2 1 25 MET HG2 . . 5.090 2.928 1.901 4.282 . 0 0 "[ . 1]" 1
411 1 73 GLN HA 1 73 GLN HG2 . . 3.650 2.755 2.331 3.664 0.014 6 0 "[ . 1]" 1
412 1 59 GLN HA 1 59 GLN HG3 . . 4.000 3.775 3.675 3.857 . 0 0 "[ . 1]" 1
413 1 73 GLN H 1 73 GLN HG2 . . 4.850 4.456 4.373 4.609 . 0 0 "[ . 1]" 1
414 1 26 PHE HA 1 29 LYS H . . 4.310 3.846 3.623 4.078 . 0 0 "[ . 1]" 1
415 1 27 TYR HA 1 30 ASP H . . 4.110 3.677 3.542 3.932 . 0 0 "[ . 1]" 1
416 1 28 VAL HB 1 29 LYS H . . 4.030 2.516 2.161 3.738 . 0 0 "[ . 1]" 1
417 1 25 MET HA 1 28 VAL MG2 . . 4.050 2.377 2.035 2.888 . 0 0 "[ . 1]" 1
418 1 28 VAL MG1 1 29 LYS H . . 4.050 3.288 3.003 3.974 . 0 0 "[ . 1]" 1
419 1 29 LYS HA 1 29 LYS HG3 . . 3.830 3.497 2.647 3.801 . 0 0 "[ . 1]" 1
420 1 29 LYS HA 1 29 LYS HG2 . . 3.830 3.339 2.226 3.800 . 0 0 "[ . 1]" 1
421 1 29 LYS H 1 29 LYS HG2 . . 4.610 2.648 1.950 3.970 . 0 0 "[ . 1]" 1
422 1 35 ILE H 1 35 ILE HG12 . . 3.960 3.579 3.432 3.698 . 0 0 "[ . 1]" 1
423 1 31 LYS HA 1 34 GLU H . . 4.320 3.730 3.673 3.810 . 0 0 "[ . 1]" 1
424 1 30 ASP HB2 1 31 LYS HA . . 5.140 4.636 4.356 4.798 . 0 0 "[ . 1]" 1
425 1 30 ASP HB3 1 31 LYS HA . . 5.140 3.976 3.870 4.231 . 0 0 "[ . 1]" 1
426 1 32 ARG HA 1 32 ARG HG2 . . 3.650 2.787 2.254 3.654 0.004 10 0 "[ . 1]" 1
427 1 32 ARG HA 1 32 ARG HG3 . . 3.650 2.708 2.220 3.603 . 0 0 "[ . 1]" 1
428 1 32 ARG HA 1 49 VAL MG1 . . 3.100 2.921 2.790 3.049 . 0 0 "[ . 1]" 1
429 1 32 ARG HA 1 35 ILE MD . . 4.020 2.205 1.980 2.597 . 0 0 "[ . 1]" 1
430 1 32 ARG HA 1 36 ILE MD . . 4.390 3.682 3.149 4.294 . 0 0 "[ . 1]" 1
431 1 32 ARG HA 1 32 ARG HD2 . . 5.500 4.293 2.780 4.703 . 0 0 "[ . 1]" 1
432 1 32 ARG HA 1 32 ARG HD3 . . 5.500 4.309 3.814 4.577 . 0 0 "[ . 1]" 1
433 1 32 ARG HD3 1 49 VAL MG1 . . 4.730 4.065 2.245 4.732 0.002 8 0 "[ . 1]" 1
434 1 71 LYS HA 1 74 LEU HB2 . . 3.590 2.843 2.678 3.129 . 0 0 "[ . 1]" 1
435 1 71 LYS HA 1 73 GLN H . . 5.020 4.377 4.266 4.503 . 0 0 "[ . 1]" 1
436 1 71 LYS HA 1 75 ASP H . . 5.180 3.737 3.592 3.898 . 0 0 "[ . 1]" 1
437 1 71 LYS HA 1 74 LEU H . . 4.140 3.739 3.628 3.868 . 0 0 "[ . 1]" 1
438 1 32 ARG HA 1 36 ILE H . . 4.800 4.193 4.030 4.335 . 0 0 "[ . 1]" 1
439 1 71 LYS HA 1 73 GLN HB3 . . 5.500 5.256 5.133 5.333 . 0 0 "[ . 1]" 1
440 1 32 ARG HA 1 49 VAL HB . . 4.720 4.116 3.560 4.439 . 0 0 "[ . 1]" 1
441 1 70 LYS HA 1 71 LYS HA . . 4.970 4.764 4.742 4.797 . 0 0 "[ . 1]" 1
442 1 71 LYS H 1 71 LYS HG2 . . 4.180 3.262 2.326 4.104 . 0 0 "[ . 1]" 1
443 1 71 LYS HB3 1 73 GLN H . . 5.500 5.369 5.230 5.498 . 0 0 "[ . 1]" 1
444 1 71 LYS HB3 1 75 ASP H . . 5.500 4.808 4.713 4.913 . 0 0 "[ . 1]" 1
445 1 32 ARG H 1 32 ARG HB3 . . 4.080 3.039 2.319 3.555 . 0 0 "[ . 1]" 1
446 1 32 ARG HB2 1 33 LEU H . . 4.450 3.172 2.552 3.847 . 0 0 "[ . 1]" 1
447 1 33 LEU HA 1 33 LEU MD1 . . 4.110 3.778 3.123 3.896 . 0 0 "[ . 1]" 1
448 1 33 LEU HA 1 33 LEU MD2 . . 4.110 2.406 2.001 3.503 . 0 0 "[ . 1]" 1
449 1 87 ARG HA 1 90 ASN HD21 . . 4.150 1.923 1.919 1.924 . 0 0 "[ . 1]" 1
450 1 33 LEU HG 1 34 GLU H . . 4.920 4.669 4.506 4.942 0.022 5 0 "[ . 1]" 1
451 1 74 LEU H 1 74 LEU HG . . 3.910 2.929 2.169 3.915 0.005 4 0 "[ . 1]" 1
452 1 74 LEU HG 1 75 ASP H . . 5.310 4.679 4.391 5.048 . 0 0 "[ . 1]" 1
453 1 33 LEU HA 1 33 LEU HG . . 3.990 2.656 2.246 2.783 . 0 0 "[ . 1]" 1
454 1 73 GLN HB3 1 74 LEU HG . . 5.450 4.086 3.166 5.431 . 0 0 "[ . 1]" 1
455 1 33 LEU H 1 33 LEU MD1 . . 4.130 3.292 2.203 3.587 . 0 0 "[ . 1]" 1
456 1 49 VAL MG2 1 50 GLY HA3 . . 4.550 3.446 3.433 3.530 . 0 0 "[ . 1]" 1
457 1 34 GLU HA 1 34 GLU HG2 . . 3.820 2.617 2.493 2.814 . 0 0 "[ . 1]" 1
458 1 34 GLU HA 1 34 GLU HG3 . . 3.820 3.226 2.594 3.676 . 0 0 "[ . 1]" 1
459 1 41 GLU HG2 1 42 LEU MD2 . . 4.440 3.236 2.774 3.521 . 0 0 "[ . 1]" 1
460 1 77 VAL HA 1 77 VAL MG2 . . 3.320 2.366 2.314 2.406 . 0 0 "[ . 1]" 1
461 1 35 ILE HA 1 35 ILE HG12 . . 3.710 2.780 2.692 2.862 . 0 0 "[ . 1]" 1
462 1 36 ILE HB 1 37 LYS H . . 4.170 2.802 2.456 2.999 . 0 0 "[ . 1]" 1
463 1 33 LEU HA 1 36 ILE HB . . 4.090 2.793 2.596 3.010 . 0 0 "[ . 1]" 1
464 1 83 ILE HG13 1 83 ILE MG . . 3.020 2.544 2.512 2.553 . 0 0 "[ . 1]" 1
465 1 83 ILE MG 1 84 GLU HB2 . . 3.710 3.622 3.605 3.671 . 0 0 "[ . 1]" 1
466 1 36 ILE HA 1 36 ILE MG . . 3.090 2.365 2.309 2.482 . 0 0 "[ . 1]" 1
467 1 80 SER HA 1 83 ILE MG . . 3.280 2.371 2.327 2.399 . 0 0 "[ . 1]" 1
468 1 35 ILE HB 1 35 ILE MD . . 3.340 2.286 2.220 2.359 . 0 0 "[ . 1]" 1
469 1 35 ILE HA 1 35 ILE MD . . 3.940 3.879 3.871 3.884 . 0 0 "[ . 1]" 1
470 1 35 ILE H 1 35 ILE MD . . 3.940 3.137 3.000 3.273 . 0 0 "[ . 1]" 1
471 1 36 ILE HA 1 36 ILE HG13 . . 3.730 2.759 2.242 2.940 . 0 0 "[ . 1]" 1
472 1 36 ILE HA 1 36 ILE HG12 . . 3.730 2.756 2.500 3.536 . 0 0 "[ . 1]" 1
473 1 36 ILE HA 1 39 LYS H . . 3.930 3.495 3.312 3.758 . 0 0 "[ . 1]" 1
474 1 36 ILE HB 1 36 ILE MD . . 3.330 2.258 2.103 2.364 . 0 0 "[ . 1]" 1
475 1 36 ILE HA 1 36 ILE MD . . 4.110 3.767 2.940 3.881 . 0 0 "[ . 1]" 1
476 1 33 LEU HA 1 36 ILE MD . . 3.950 2.648 2.349 2.993 . 0 0 "[ . 1]" 1
477 1 36 ILE H 1 36 ILE MD . . 4.050 3.318 2.089 3.699 . 0 0 "[ . 1]" 1
478 1 36 ILE MD 1 43 ALA H . . 5.500 5.370 4.796 5.515 0.015 7 0 "[ . 1]" 1
479 1 36 ILE MD 1 37 LYS H . . 4.710 4.488 4.011 4.711 0.001 3 0 "[ . 1]" 1
480 1 36 ILE MD 1 40 PRO HA . . 5.500 4.907 4.539 5.050 . 0 0 "[ . 1]" 1
481 1 35 ILE MG 1 48 GLN HG3 . . 4.160 3.922 3.756 4.132 . 0 0 "[ . 1]" 1
482 1 35 ILE MG 1 36 ILE H . . 3.990 3.652 3.547 3.761 . 0 0 "[ . 1]" 1
483 1 36 ILE H 1 36 ILE MG . . 4.310 3.762 3.706 3.778 . 0 0 "[ . 1]" 1
484 1 35 ILE H 1 35 ILE MG . . 3.890 3.764 3.763 3.765 . 0 0 "[ . 1]" 1
485 1 35 ILE MG 1 39 LYS HA . . 5.190 4.984 4.937 5.069 . 0 0 "[ . 1]" 1
486 1 57 TRP HA 1 60 LEU MD2 . . 4.330 3.165 2.221 4.386 0.056 1 0 "[ . 1]" 1
487 1 57 TRP HA 1 60 LEU H . . 4.130 3.352 3.152 3.455 . 0 0 "[ . 1]" 1
488 1 48 GLN HA 1 48 GLN HE22 . . 3.740 3.132 3.043 3.265 . 0 0 "[ . 1]" 1
489 1 25 MET HB2 1 26 PHE H . . 4.030 3.000 2.452 4.040 0.010 9 0 "[ . 1]" 1
490 1 38 GLU HA 1 38 GLU HG2 . . 3.940 3.672 3.596 3.796 . 0 0 "[ . 1]" 1
491 1 38 GLU H 1 38 GLU HG2 . . 4.010 2.192 1.949 2.303 . 0 0 "[ . 1]" 1
492 1 55 GLU H 1 55 GLU HG2 . . 4.000 2.691 2.028 3.540 . 0 0 "[ . 1]" 1
493 1 39 LYS HA 1 40 PRO HD2 . . 3.110 2.049 2.020 2.070 . 0 0 "[ . 1]" 1
494 1 39 LYS HA 1 40 PRO HG2 . . 4.220 4.191 4.172 4.204 . 0 0 "[ . 1]" 1
495 1 36 ILE MG 1 40 PRO HA . . 3.430 2.161 1.962 2.476 . 0 0 "[ . 1]" 1
496 1 40 PRO HA 1 43 ALA MB . . 3.830 2.259 2.047 2.551 . 0 0 "[ . 1]" 1
497 1 36 ILE HA 1 40 PRO HA . . 3.950 2.451 2.238 2.660 . 0 0 "[ . 1]" 1
498 1 40 PRO HA 1 43 ALA H . . 4.120 3.361 3.248 3.487 . 0 0 "[ . 1]" 1
499 1 39 LYS HA 1 40 PRO HD3 . . 3.630 2.869 2.822 2.902 . 0 0 "[ . 1]" 1
500 1 39 LYS H 1 40 PRO HD2 . . 4.780 3.955 3.923 4.051 . 0 0 "[ . 1]" 1
501 1 36 ILE MG 1 40 PRO HD3 . . 5.400 4.479 4.315 4.585 . 0 0 "[ . 1]" 1
502 1 41 GLU H 1 41 GLU HG2 . . 4.460 4.387 4.366 4.398 . 0 0 "[ . 1]" 1
503 1 41 GLU H 1 41 GLU HG3 . . 4.460 4.450 4.435 4.460 0.000 6 0 "[ . 1]" 1
504 1 41 GLU HG2 1 42 LEU H . . 4.630 3.710 3.537 3.913 . 0 0 "[ . 1]" 1
505 1 34 GLU H 1 34 GLU HG2 . . 4.110 3.293 2.634 3.919 . 0 0 "[ . 1]" 1
506 1 42 LEU HA 1 42 LEU MD1 . . 4.290 3.897 3.820 3.955 . 0 0 "[ . 1]" 1
507 1 42 LEU MD2 1 48 GLN HB2 . . 3.690 3.550 3.041 3.693 0.003 7 0 "[ . 1]" 1
508 1 39 LYS HA 1 42 LEU MD1 . . 5.320 5.063 4.711 5.313 . 0 0 "[ . 1]" 1
509 1 42 LEU MD1 1 48 GLN HG3 . . 4.070 3.635 3.059 4.056 . 0 0 "[ . 1]" 1
510 1 42 LEU MD1 1 48 GLN HB2 . . 4.550 4.370 4.031 4.551 0.001 7 0 "[ . 1]" 1
511 1 35 ILE MG 1 43 ALA HA . . 4.280 3.997 3.832 4.172 . 0 0 "[ . 1]" 1
512 1 36 ILE MG 1 43 ALA HA . . 4.610 3.763 3.412 4.000 . 0 0 "[ . 1]" 1
513 1 36 ILE MD 1 43 ALA HA . . 3.660 3.412 2.815 3.634 . 0 0 "[ . 1]" 1
514 1 36 ILE HB 1 43 ALA HA . . 5.310 5.159 4.954 5.319 0.009 1 0 "[ . 1]" 1
515 1 36 ILE MG 1 43 ALA MB . . 3.130 2.092 1.783 2.500 . 0 0 "[ . 1]" 1
516 1 42 LEU HA 1 45 ASP HB3 . . 4.720 4.373 3.517 4.726 0.006 8 0 "[ . 1]" 1
517 1 42 LEU HA 1 45 ASP HB2 . . 4.720 3.256 2.311 3.640 . 0 0 "[ . 1]" 1
518 1 46 VAL HA 1 46 VAL MG1 . . 3.350 2.309 2.271 2.364 . 0 0 "[ . 1]" 1
519 1 46 VAL HA 1 49 VAL MG2 . . 3.540 2.075 2.026 2.106 . 0 0 "[ . 1]" 1
520 1 46 VAL HA 1 49 VAL H . . 4.150 3.943 3.912 4.039 . 0 0 "[ . 1]" 1
521 1 45 ASP HA 1 46 VAL HA . . 4.840 4.594 4.556 4.634 . 0 0 "[ . 1]" 1
522 1 45 ASP HA 1 46 VAL HB . . 5.060 4.666 4.643 4.718 . 0 0 "[ . 1]" 1
523 1 77 VAL H 1 77 VAL MG1 . . 3.880 3.028 1.919 3.768 . 0 0 "[ . 1]" 1
524 1 46 VAL HA 1 46 VAL MG2 . . 3.350 2.328 2.298 2.380 . 0 0 "[ . 1]" 1
525 1 46 VAL MG2 1 47 ALA H . . 4.880 3.779 3.754 3.845 . 0 0 "[ . 1]" 1
526 1 55 GLU HA 1 55 GLU HG3 . . 4.110 3.586 3.090 3.977 . 0 0 "[ . 1]" 1
527 1 48 GLN HA 1 48 GLN HB2 . . 2.570 2.489 2.430 2.559 . 0 0 "[ . 1]" 1
528 1 48 GLN HA 1 48 GLN HG3 . . 3.400 3.150 3.056 3.202 . 0 0 "[ . 1]" 1
529 1 48 GLN H 1 48 GLN HG3 . . 4.630 4.500 4.419 4.563 . 0 0 "[ . 1]" 1
530 1 84 GLU H 1 84 GLU HB2 . . 3.580 2.112 2.104 2.142 . 0 0 "[ . 1]" 1
531 1 49 VAL HA 1 49 VAL MG2 . . 3.330 3.191 3.182 3.202 . 0 0 "[ . 1]" 1
532 1 49 VAL HA 1 49 VAL MG1 . . 3.150 2.271 2.148 2.375 . 0 0 "[ . 1]" 1
533 1 49 VAL HA 1 52 LEU MD1 . . 3.590 2.473 2.383 2.613 . 0 0 "[ . 1]" 1
534 1 49 VAL HA 1 52 LEU HG . . 4.130 2.946 2.887 3.134 . 0 0 "[ . 1]" 1
535 1 48 GLN HA 1 49 VAL HA . . 5.050 4.822 4.804 4.829 . 0 0 "[ . 1]" 1
536 1 48 GLN HG3 1 49 VAL HA . . 4.850 3.589 3.321 3.905 . 0 0 "[ . 1]" 1
537 1 49 VAL HA 1 53 ILE H . . 5.000 4.326 3.824 4.400 . 0 0 "[ . 1]" 1
538 1 52 LEU HB3 1 52 LEU MD2 . . 3.630 2.389 2.378 2.392 . 0 0 "[ . 1]" 1
539 1 52 LEU HB2 1 52 LEU MD2 . . 3.630 3.186 3.185 3.188 . 0 0 "[ . 1]" 1
540 1 52 LEU HA 1 52 LEU MD2 . . 2.900 2.081 2.078 2.085 . 0 0 "[ . 1]" 1
541 1 49 VAL H 1 49 VAL MG1 . . 3.620 2.297 2.144 2.461 . 0 0 "[ . 1]" 1
542 1 52 LEU MD2 1 53 ILE H . . 4.750 4.562 4.501 4.578 . 0 0 "[ . 1]" 1
543 1 50 GLY HA2 1 53 ILE HB . . 4.680 3.291 3.259 3.393 . 0 0 "[ . 1]" 1
544 1 49 VAL HB 1 50 GLY HA2 . . 5.430 4.242 4.217 4.414 . 0 0 "[ . 1]" 1
545 1 50 GLY HA3 1 53 ILE HB . . 5.080 4.780 4.736 5.039 . 0 0 "[ . 1]" 1
546 1 50 GLY HA2 1 53 ILE MG . . 4.800 4.498 4.296 4.532 . 0 0 "[ . 1]" 1
547 1 50 GLY HA3 1 53 ILE MD . . 5.500 5.611 5.495 5.633 0.133 3 0 "[ . 1]" 1
548 1 50 GLY HA2 1 53 ILE MD . . 5.030 4.294 4.249 4.322 . 0 0 "[ . 1]" 1
549 1 51 LYS H 1 51 LYS HG2 . . 4.630 3.680 2.282 4.624 . 0 0 "[ . 1]" 1
550 1 52 LEU HB2 1 52 LEU MD1 . . 3.590 2.454 2.394 2.476 . 0 0 "[ . 1]" 1
551 1 52 LEU HA 1 52 LEU HG . . 3.980 3.217 3.190 3.225 . 0 0 "[ . 1]" 1
552 1 52 LEU HA 1 52 LEU MD1 . . 3.930 3.797 3.793 3.801 . 0 0 "[ . 1]" 1
553 1 52 LEU H 1 52 LEU MD1 . . 4.040 3.779 3.750 3.795 . 0 0 "[ . 1]" 1
554 1 48 GLN HG3 1 52 LEU MD1 . . 3.810 2.841 2.723 3.006 . 0 0 "[ . 1]" 1
555 1 52 LEU HB3 1 52 LEU MD1 . . 3.590 2.193 2.179 2.228 . 0 0 "[ . 1]" 1
556 1 53 ILE HA 1 53 ILE MG . . 3.450 2.305 2.198 2.562 . 0 0 "[ . 1]" 1
557 1 53 ILE HA 1 53 ILE MD . . 3.980 1.989 1.942 2.394 . 0 0 "[ . 1]" 1
558 1 53 ILE HA 1 53 ILE HG12 . . 3.960 3.437 3.417 3.600 . 0 0 "[ . 1]" 1
559 1 53 ILE HA 1 53 ILE HG13 . . 3.960 3.531 2.396 3.662 . 0 0 "[ . 1]" 1
560 1 53 ILE HA 1 55 GLU H . . 4.960 4.750 4.583 4.954 . 0 0 "[ . 1]" 1
561 1 53 ILE HA 1 56 ALA H . . 4.490 3.823 3.721 3.975 . 0 0 "[ . 1]" 1
562 1 28 VAL HA 1 53 ILE MD . . 3.870 2.772 2.217 3.167 . 0 0 "[ . 1]" 1
563 1 53 ILE HB 1 53 ILE MD . . 3.660 3.120 2.433 3.197 . 0 0 "[ . 1]" 1
564 1 53 ILE MD 1 53 ILE MG . . 3.120 2.406 2.212 3.255 0.135 4 0 "[ . 1]" 1
565 1 53 ILE MG 1 56 ALA MB . . 3.920 3.824 3.641 3.925 0.005 4 0 "[ . 1]" 1
566 1 28 VAL HA 1 53 ILE MG . . 4.040 3.243 2.786 3.618 . 0 0 "[ . 1]" 1
567 1 53 ILE MG 1 54 GLY HA2 . . 4.240 3.652 2.939 3.827 . 0 0 "[ . 1]" 1
568 1 55 GLU H 1 55 GLU HB2 . . 3.700 2.595 2.306 3.589 . 0 0 "[ . 1]" 1
569 1 54 GLY HA2 1 57 TRP HB2 . . 4.800 4.204 3.956 4.824 0.024 4 0 "[ . 1]" 1
570 1 55 GLU HA 1 55 GLU HG2 . . 4.110 2.783 2.247 3.589 . 0 0 "[ . 1]" 1
571 1 72 ALA H 1 72 ALA MB . . 2.980 2.219 2.193 2.234 . 0 0 "[ . 1]" 1
572 1 53 ILE HA 1 56 ALA MB . . 3.630 2.734 2.532 2.911 . 0 0 "[ . 1]" 1
573 1 82 GLU HA 1 82 GLU HG3 . . 3.980 3.269 2.495 3.703 . 0 0 "[ . 1]" 1
574 1 54 GLY HA2 1 57 TRP HB3 . . 4.800 2.804 2.616 3.187 . 0 0 "[ . 1]" 1
575 1 57 TRP HB3 1 60 LEU H . . 5.500 5.322 5.161 5.418 . 0 0 "[ . 1]" 1
576 1 57 TRP HB2 1 60 LEU H . . 5.500 5.449 5.277 5.550 0.050 9 0 "[ . 1]" 1
577 1 60 LEU H 1 60 LEU HG . . 4.700 4.382 3.721 4.538 . 0 0 "[ . 1]" 1
578 1 60 LEU HG 1 61 SER H . . 5.310 3.168 2.014 4.595 . 0 0 "[ . 1]" 1
579 1 60 LEU HA 1 60 LEU MD2 . . 4.140 3.051 1.951 3.887 . 0 0 "[ . 1]" 1
580 1 60 LEU HA 1 60 LEU MD1 . . 4.140 2.498 1.978 3.753 . 0 0 "[ . 1]" 1
581 1 57 TRP HA 1 60 LEU MD1 . . 4.330 3.494 1.960 4.412 0.082 7 0 "[ . 1]" 1
582 1 60 LEU H 1 60 LEU MD2 . . 4.340 3.993 3.368 4.403 0.063 5 0 "[ . 1]" 1
583 1 65 LYS HA 1 68 TYR H . . 3.740 3.617 3.527 3.692 . 0 0 "[ . 1]" 1
584 1 69 GLU HA 1 69 GLU HG2 . . 3.820 2.619 2.350 2.927 . 0 0 "[ . 1]" 1
585 1 65 LYS HA 1 65 LYS HD3 . . 4.950 4.002 3.286 4.611 . 0 0 "[ . 1]" 1
586 1 65 LYS HA 1 68 TYR HB2 . . 4.820 3.111 2.192 3.784 . 0 0 "[ . 1]" 1
587 1 57 TRP HA 1 65 LYS HD3 . . 5.500 4.374 3.225 5.502 0.002 6 0 "[ . 1]" 1
588 1 57 TRP HA 1 65 LYS HD2 . . 5.500 5.102 3.896 5.516 0.016 4 0 "[ . 1]" 1
589 1 65 LYS HA 1 65 LYS HD2 . . 4.950 3.165 2.061 4.691 . 0 0 "[ . 1]" 1
590 1 66 ALA MB 1 68 TYR H . . 4.540 4.366 4.296 4.439 . 0 0 "[ . 1]" 1
591 1 66 ALA MB 1 70 LYS H . . 4.810 4.777 4.760 4.822 0.012 6 0 "[ . 1]" 1
592 1 66 ALA MB 1 69 GLU H . . 5.000 4.920 4.886 5.020 0.020 9 0 "[ . 1]" 1
593 1 65 LYS H 1 66 ALA MB . . 4.320 4.121 4.106 4.141 . 0 0 "[ . 1]" 1
594 1 66 ALA HA 1 69 GLU H . . 4.360 4.205 4.142 4.348 . 0 0 "[ . 1]" 1
595 1 66 ALA HA 1 70 LYS H . . 4.270 4.080 4.012 4.164 . 0 0 "[ . 1]" 1
596 1 66 ALA MB 1 69 GLU HB2 . . 4.900 4.911 4.860 4.967 0.067 9 0 "[ . 1]" 1
597 1 66 ALA MB 1 67 PRO HB3 . . 4.120 3.999 3.958 4.045 . 0 0 "[ . 1]" 1
598 1 66 ALA HA 1 69 GLU HB2 . . 3.690 3.539 3.495 3.601 . 0 0 "[ . 1]" 1
599 1 67 PRO HA 1 71 LYS H . . 4.800 3.519 3.398 3.636 . 0 0 "[ . 1]" 1
600 1 67 PRO HA 1 70 LYS H . . 4.160 3.667 3.616 3.775 . 0 0 "[ . 1]" 1
601 1 68 TYR HA 1 71 LYS HB3 . . 4.810 4.667 4.440 4.878 0.068 6 0 "[ . 1]" 1
602 1 83 ILE HA 1 83 ILE MG . . 3.400 3.196 3.195 3.196 . 0 0 "[ . 1]" 1
603 1 68 TYR HA 1 71 LYS HB2 . . 3.570 3.185 3.112 3.236 . 0 0 "[ . 1]" 1
604 1 68 TYR H 1 68 TYR HB3 . . 4.070 2.875 2.361 3.549 . 0 0 "[ . 1]" 1
605 1 65 LYS HA 1 68 TYR HB3 . . 4.820 2.774 2.182 3.655 . 0 0 "[ . 1]" 1
606 1 69 GLU HA 1 72 ALA MB . . 3.380 2.483 2.369 2.699 . 0 0 "[ . 1]" 1
607 1 69 GLU HA 1 71 LYS H . . 4.910 4.661 4.504 4.914 0.004 9 0 "[ . 1]" 1
608 1 81 LYS HA 1 84 GLU HB2 . . 3.180 2.071 2.051 2.096 . 0 0 "[ . 1]" 1
609 1 69 GLU H 1 69 GLU HG3 . . 3.950 3.335 2.227 3.824 . 0 0 "[ . 1]" 1
610 1 85 GLU H 1 85 GLU HG2 . . 3.770 2.321 1.934 3.088 . 0 0 "[ . 1]" 1
611 1 69 GLU HA 1 69 GLU HG3 . . 3.820 3.629 3.014 3.731 . 0 0 "[ . 1]" 1
612 1 70 LYS HA 1 73 GLN HB3 . . 3.430 3.068 2.880 3.194 . 0 0 "[ . 1]" 1
613 1 73 GLN H 1 73 GLN HG3 . . 4.850 4.536 4.460 4.633 . 0 0 "[ . 1]" 1
614 1 73 GLN HG3 1 74 LEU H . . 4.710 4.315 3.126 4.708 . 0 0 "[ . 1]" 1
615 1 73 GLN HG2 1 74 LEU H . . 4.710 3.998 3.570 4.320 . 0 0 "[ . 1]" 1
616 1 59 GLN H 1 59 GLN HG2 . . 4.010 2.279 2.142 2.360 . 0 0 "[ . 1]" 1
617 1 73 GLN HA 1 73 GLN HG3 . . 3.650 3.279 2.834 3.571 . 0 0 "[ . 1]" 1
618 1 71 LYS HA 1 74 LEU HB3 . . 4.790 4.392 4.004 4.793 0.003 10 0 "[ . 1]" 1
619 1 74 LEU HA 1 74 LEU HG . . 3.850 2.689 2.317 3.105 . 0 0 "[ . 1]" 1
620 1 74 LEU H 1 74 LEU MD1 . . 4.080 2.863 1.961 3.728 . 0 0 "[ . 1]" 1
621 1 45 ASP H 1 49 VAL MG1 . . 4.520 3.833 3.674 3.928 . 0 0 "[ . 1]" 1
622 1 75 ASP HA 1 78 ARG H . . 3.890 3.589 3.453 3.761 . 0 0 "[ . 1]" 1
623 1 76 LYS HA 1 79 TYR H . . 4.450 3.874 3.705 3.973 . 0 0 "[ . 1]" 1
624 1 75 ASP HA 1 76 LYS HA . . 5.000 4.808 4.788 4.844 . 0 0 "[ . 1]" 1
625 1 77 VAL HA 1 77 VAL MG1 . . 3.320 2.671 2.304 3.203 . 0 0 "[ . 1]" 1
626 1 77 VAL HA 1 81 LYS H . . 4.380 3.759 3.575 3.968 . 0 0 "[ . 1]" 1
627 1 77 VAL HA 1 80 SER H . . 4.310 3.645 3.559 3.734 . 0 0 "[ . 1]" 1
628 1 76 LYS H 1 77 VAL HB . . 5.400 5.102 4.883 5.287 . 0 0 "[ . 1]" 1
629 1 74 LEU HA 1 77 VAL HB . . 4.540 3.615 2.958 4.453 . 0 0 "[ . 1]" 1
630 1 77 VAL MG2 1 78 ARG H . . 4.150 3.671 3.542 3.778 . 0 0 "[ . 1]" 1
631 1 78 ARG HA 1 78 ARG HD2 . . 5.480 4.562 4.072 4.955 . 0 0 "[ . 1]" 1
632 1 78 ARG HA 1 78 ARG HD3 . . 5.480 4.684 4.409 5.492 0.012 10 0 "[ . 1]" 1
633 1 83 ILE HA 1 83 ILE HG13 . . 3.800 2.716 2.703 2.749 . 0 0 "[ . 1]" 1
634 1 17 PRO HG3 1 83 ILE HA . . 4.150 2.974 2.530 3.464 . 0 0 "[ . 1]" 1
635 1 79 TYR HA 1 82 GLU HB2 . . 3.890 2.413 2.321 2.507 . 0 0 "[ . 1]" 1
636 1 79 TYR HA 1 82 GLU HB3 . . 4.090 3.846 3.715 4.003 . 0 0 "[ . 1]" 1
637 1 86 TYR HB2 1 90 ASN HD21 . . 4.320 4.339 4.335 4.345 0.025 8 0 "[ . 1]" 1
638 1 83 ILE HA 1 86 TYR HB2 . . 3.940 2.246 2.201 2.360 . 0 0 "[ . 1]" 1
639 1 83 ILE MD 1 86 TYR HB3 . . 4.870 3.358 3.324 3.386 . 0 0 "[ . 1]" 1
640 1 86 TYR HB3 1 90 ASN HD21 . . 4.260 2.980 2.940 2.997 . 0 0 "[ . 1]" 1
641 1 17 PRO HG3 1 86 TYR HB3 . . 5.410 3.539 3.264 3.927 . 0 0 "[ . 1]" 1
642 1 17 PRO HG3 1 86 TYR HB2 . . 5.170 3.077 2.719 3.363 . 0 0 "[ . 1]" 1
643 1 17 PRO HG2 1 86 TYR HB2 . . 5.170 4.594 4.139 4.879 . 0 0 "[ . 1]" 1
644 1 17 PRO HG2 1 86 TYR HB3 . . 5.410 4.994 4.519 5.394 . 0 0 "[ . 1]" 1
645 1 86 TYR HB3 1 87 ARG HB2 . . 5.080 4.566 4.440 5.020 . 0 0 "[ . 1]" 1
646 1 83 ILE HA 1 90 ASN HD21 . . 5.500 5.372 5.317 5.391 . 0 0 "[ . 1]" 1
647 1 82 GLU HA 1 82 GLU HG2 . . 3.980 2.533 2.304 2.676 . 0 0 "[ . 1]" 1
648 1 83 ILE HB 1 87 ARG H . . 5.500 5.512 5.505 5.527 0.027 8 0 "[ . 1]" 1
649 1 83 ILE HA 1 90 ASN HD22 . . 5.500 5.205 5.175 5.218 . 0 0 "[ . 1]" 1
650 1 83 ILE HB 1 86 TYR HB2 . . 5.060 4.749 4.706 4.862 . 0 0 "[ . 1]" 1
651 1 83 ILE H 1 83 ILE MD . . 4.440 3.977 3.964 3.986 . 0 0 "[ . 1]" 1
652 1 83 ILE MD 1 87 ARG H . . 4.440 3.710 3.687 3.716 . 0 0 "[ . 1]" 1
653 1 83 ILE MD 1 84 GLU H . . 4.970 4.826 4.795 4.840 . 0 0 "[ . 1]" 1
654 1 83 ILE MD 1 90 ASN HD21 . . 3.920 3.912 3.830 3.923 0.003 10 0 "[ . 1]" 1
655 1 83 ILE MD 1 90 ASN HD22 . . 4.100 3.875 3.822 3.890 . 0 0 "[ . 1]" 1
656 1 83 ILE MD 1 86 TYR HA . . 5.500 5.533 5.528 5.541 0.041 8 0 "[ . 1]" 1
657 1 83 ILE HA 1 83 ILE MD . . 3.380 2.245 2.168 2.286 . 0 0 "[ . 1]" 1
658 1 83 ILE MD 1 86 TYR HB2 . . 3.980 3.232 3.211 3.259 . 0 0 "[ . 1]" 1
659 1 17 PRO HD2 1 83 ILE MD . . 4.580 1.988 1.896 2.070 . 0 0 "[ . 1]" 1
660 1 17 PRO HB3 1 83 ILE MD . . 4.910 4.692 4.521 4.868 . 0 0 "[ . 1]" 1
661 1 83 ILE MD 1 87 ARG HB2 . . 4.360 3.520 3.383 4.329 . 0 0 "[ . 1]" 1
662 1 83 ILE HB 1 83 ILE MD . . 3.480 2.225 2.202 2.263 . 0 0 "[ . 1]" 1
663 1 16 ALA MB 1 83 ILE MD . . 3.430 2.212 1.893 2.528 . 0 0 "[ . 1]" 1
664 1 83 ILE H 1 83 ILE HG13 . . 4.490 4.478 4.475 4.489 . 0 0 "[ . 1]" 1
665 1 83 ILE HG13 1 87 ARG H . . 5.060 3.439 3.409 3.526 . 0 0 "[ . 1]" 1
666 1 83 ILE HG13 1 90 ASN HD21 . . 5.500 4.958 4.924 4.969 . 0 0 "[ . 1]" 1
667 1 83 ILE HG13 1 90 ASN HD22 . . 5.500 5.554 5.549 5.562 0.062 8 0 "[ . 1]" 1
668 1 85 GLU HG3 1 86 TYR H . . 4.810 3.783 2.120 4.750 . 0 0 "[ . 1]" 1
669 1 85 GLU HG2 1 86 TYR H . . 4.810 3.880 2.590 4.799 . 0 0 "[ . 1]" 1
670 1 38 GLU H 1 38 GLU HG3 . . 3.930 3.608 3.400 3.726 . 0 0 "[ . 1]" 1
671 1 65 LYS HB3 1 69 GLU HG2 . . 3.870 3.570 3.280 3.940 0.070 9 0 "[ . 1]" 1
672 1 65 LYS HB3 1 69 GLU HG3 . . 3.870 2.891 2.540 3.460 . 0 0 "[ . 1]" 1
673 1 86 TYR HA 1 89 LYS HB3 . . 4.950 4.896 4.813 4.927 . 0 0 "[ . 1]" 1
674 1 86 TYR HA 1 87 ARG HA . . 4.900 4.791 4.786 4.799 . 0 0 "[ . 1]" 1
675 1 85 GLU H 1 86 TYR HA . . 5.330 5.259 5.243 5.294 . 0 0 "[ . 1]" 1
676 1 86 TYR HB2 1 87 ARG H . . 4.470 2.629 2.611 2.668 . 0 0 "[ . 1]" 1
677 1 86 TYR HB3 1 87 ARG HA . . 3.930 3.928 3.910 3.935 0.005 2 0 "[ . 1]" 1
678 1 89 LYS HA 1 89 LYS HB3 . . 2.940 2.504 2.501 2.513 . 0 0 "[ . 1]" 1
679 1 18 LYS HB3 1 19 ARG H . . 4.360 3.951 3.697 4.152 . 0 0 "[ . 1]" 1
680 1 87 ARG HA 1 90 ASN HB2 . . 4.870 1.988 1.974 1.992 . 0 0 "[ . 1]" 1
681 1 87 ARG HA 1 90 ASN HB3 . . 5.140 3.364 3.335 3.373 . 0 0 "[ . 1]" 1
682 1 35 ILE HA 1 38 GLU HG3 . . 4.750 3.584 3.218 3.962 . 0 0 "[ . 1]" 1
683 1 35 ILE HA 1 38 GLU HG2 . . 4.830 2.499 2.135 2.804 . 0 0 "[ . 1]" 1
684 1 14 PRO QG 1 15 LEU H . . 3.600 2.346 1.943 2.885 . 0 0 "[ . 1]" 1
685 1 14 PRO QD 1 15 LEU H . . 3.790 2.666 2.609 2.730 . 0 0 "[ . 1]" 1
686 1 15 LEU H 1 15 LEU QB . . 3.110 2.655 2.281 3.153 0.043 7 0 "[ . 1]" 1
687 1 15 LEU HA 1 15 LEU QD . . 3.150 2.354 1.943 3.260 0.110 9 0 "[ . 1]" 1
688 1 15 LEU QB 1 15 LEU QD . . 2.570 1.902 1.744 2.033 . 0 0 "[ . 1]" 1
689 1 15 LEU QB 1 16 ALA MB . . 4.900 4.456 4.131 4.831 . 0 0 "[ . 1]" 1
690 1 15 LEU QD 1 16 ALA H . . 4.800 4.242 3.648 4.539 . 0 0 "[ . 1]" 1
691 1 16 ALA MB 1 17 PRO QG . . 5.140 3.429 3.384 3.486 . 0 0 "[ . 1]" 1
692 1 16 ALA MB 1 17 PRO QD . . 3.070 2.017 1.947 2.067 . 0 0 "[ . 1]" 1
693 1 17 PRO HA 1 18 LYS QB . . 4.500 4.164 4.046 4.316 . 0 0 "[ . 1]" 1
694 1 17 PRO QG 1 83 ILE HA . . 3.570 2.854 2.482 3.276 . 0 0 "[ . 1]" 1
695 1 17 PRO QG 1 83 ILE MD . . 3.740 2.629 2.247 2.858 . 0 0 "[ . 1]" 1
696 1 17 PRO QG 1 86 TYR HB3 . . 4.740 3.469 3.193 3.837 . 0 0 "[ . 1]" 1
697 1 17 PRO QD 1 83 ILE H . . 5.350 5.285 4.906 5.385 0.035 4 0 "[ . 1]" 1
698 1 17 PRO QD 1 83 ILE MD . . 3.700 1.933 1.879 2.011 . 0 0 "[ . 1]" 1
699 1 18 LYS H 1 18 LYS QB . . 3.210 2.310 2.264 2.406 . 0 0 "[ . 1]" 1
700 1 18 LYS H 1 18 LYS QG . . 4.460 4.019 3.970 4.100 . 0 0 "[ . 1]" 1
701 1 18 LYS H 1 18 LYS QD . . 4.790 4.468 4.151 4.751 . 0 0 "[ . 1]" 1
702 1 18 LYS HA 1 18 LYS QB . . 2.440 2.367 2.334 2.413 . 0 0 "[ . 1]" 1
703 1 18 LYS QB 1 19 ARG H . . 3.800 3.572 3.401 3.753 . 0 0 "[ . 1]" 1
704 1 18 LYS QD 1 19 ARG H . . 4.960 3.651 1.941 4.648 . 0 0 "[ . 1]" 1
705 1 18 LYS QE 1 19 ARG H . . 5.340 4.311 3.050 5.176 . 0 0 "[ . 1]" 1
706 1 19 ARG H 1 19 ARG QD . . 4.560 3.765 3.542 4.033 . 0 0 "[ . 1]" 1
707 1 19 ARG HA 1 19 ARG QD . . 4.190 3.718 3.610 3.771 . 0 0 "[ . 1]" 1
708 1 19 ARG QB 1 20 ALA H . . 3.310 2.500 2.155 3.088 . 0 0 "[ . 1]" 1
709 1 19 ARG QD 1 20 ALA H . . 4.030 3.094 2.743 3.441 . 0 0 "[ . 1]" 1
710 1 19 ARG QD 1 20 ALA HA . . 4.000 3.304 3.058 4.016 0.016 9 0 "[ . 1]" 1
711 1 19 ARG QD 1 21 LEU H . . 4.540 4.369 4.180 4.531 . 0 0 "[ . 1]" 1
712 1 19 ARG QD 1 21 LEU QD . . 5.280 3.997 2.721 4.405 . 0 0 "[ . 1]" 1
713 1 20 ALA HA 1 21 LEU QD . . 4.890 4.056 2.900 4.760 . 0 0 "[ . 1]" 1
714 1 21 LEU H 1 21 LEU QD . . 3.790 2.914 1.889 3.435 . 0 0 "[ . 1]" 1
715 1 21 LEU HA 1 21 LEU QD . . 3.680 2.400 1.957 3.121 . 0 0 "[ . 1]" 1
716 1 21 LEU HB3 1 25 MET QB . . 4.930 2.379 2.034 2.790 . 0 0 "[ . 1]" 1
717 1 21 LEU HB3 1 25 MET QG . . 5.340 3.235 2.017 4.621 . 0 0 "[ . 1]" 1
718 1 21 LEU HB3 1 26 PHE QB . . 5.030 4.530 3.806 4.956 . 0 0 "[ . 1]" 1
719 1 21 LEU HG 1 25 MET QB . . 4.790 4.298 3.020 4.846 0.056 10 0 "[ . 1]" 1
720 1 21 LEU QD 1 22 SER H . . 3.920 3.126 2.347 3.894 . 0 0 "[ . 1]" 1
721 1 21 LEU QD 1 25 MET H . . 5.440 4.516 4.108 5.212 . 0 0 "[ . 1]" 1
722 1 21 LEU QD 1 25 MET QB . . 3.350 2.288 1.810 3.328 . 0 0 "[ . 1]" 1
723 1 21 LEU QD 1 25 MET QG . . 3.780 2.212 1.876 3.394 . 0 0 "[ . 1]" 1
724 1 21 LEU QD 1 26 PHE H . . 4.190 4.078 3.904 4.198 0.008 10 0 "[ . 1]" 1
725 1 21 LEU QD 1 26 PHE HA . . 4.100 3.777 3.313 4.092 . 0 0 "[ . 1]" 1
726 1 21 LEU QD 1 29 LYS QB . . 4.580 3.857 3.518 4.269 . 0 0 "[ . 1]" 1
727 1 22 SER H 1 25 MET QB . . 3.590 2.609 2.348 2.887 . 0 0 "[ . 1]" 1
728 1 22 SER H 1 25 MET QG . . 4.250 3.252 2.026 4.265 0.015 9 0 "[ . 1]" 1
729 1 22 SER QB 1 23 ALA H . . 4.080 2.356 2.096 2.838 . 0 0 "[ . 1]" 1
730 1 23 ALA HA 1 26 PHE QB . . 3.820 2.749 2.179 3.429 . 0 0 "[ . 1]" 1
731 1 23 ALA MB 1 26 PHE QB . . 5.310 3.938 3.558 4.339 . 0 0 "[ . 1]" 1
732 1 23 ALA MB 1 68 TYR QB . . 3.850 3.493 2.940 3.864 0.014 4 0 "[ . 1]" 1
733 1 24 TYR HA 1 27 TYR QB . . 4.250 3.214 2.706 3.587 . 0 0 "[ . 1]" 1
734 1 24 TYR HA 1 28 VAL QG . . 4.640 3.996 3.704 4.232 . 0 0 "[ . 1]" 1
735 1 24 TYR QB 1 25 MET H . . 4.040 2.561 2.235 2.940 . 0 0 "[ . 1]" 1
736 1 25 MET H 1 28 VAL QG . . 5.440 4.103 3.811 4.373 . 0 0 "[ . 1]" 1
737 1 25 MET HA 1 25 MET QG . . 3.500 2.543 2.127 3.124 . 0 0 "[ . 1]" 1
738 1 25 MET QB 1 26 PHE H . . 3.390 2.622 2.400 2.805 . 0 0 "[ . 1]" 1
739 1 25 MET QG 1 26 PHE H . . 5.230 4.091 3.286 4.569 . 0 0 "[ . 1]" 1
740 1 26 PHE H 1 26 PHE QB . . 3.410 2.209 2.127 2.256 . 0 0 "[ . 1]" 1
741 1 26 PHE H 1 27 TYR QB . . 5.340 4.555 4.418 4.647 . 0 0 "[ . 1]" 1
742 1 26 PHE H 1 29 LYS QG . . 5.340 4.426 4.139 5.068 . 0 0 "[ . 1]" 1
743 1 26 PHE HA 1 29 LYS QB . . 4.140 3.621 2.275 4.139 . 0 0 "[ . 1]" 1
744 1 26 PHE HA 1 29 LYS QD . . 4.000 2.546 2.044 3.715 . 0 0 "[ . 1]" 1
745 1 26 PHE QB 1 27 TYR H . . 3.990 2.443 2.241 2.717 . 0 0 "[ . 1]" 1
746 1 27 TYR HA 1 30 ASP QB . . 4.340 2.563 2.180 3.321 . 0 0 "[ . 1]" 1
747 1 27 TYR QB 1 28 VAL H . . 3.750 2.491 2.093 2.797 . 0 0 "[ . 1]" 1
748 1 27 TYR QB 1 28 VAL QG . . 3.750 3.079 2.818 3.249 . 0 0 "[ . 1]" 1
749 1 28 VAL H 1 28 VAL QG . . 3.160 2.123 1.817 2.292 . 0 0 "[ . 1]" 1
750 1 28 VAL HA 1 31 LYS QB . . 4.310 3.080 2.662 3.380 . 0 0 "[ . 1]" 1
751 1 28 VAL QG 1 29 LYS H . . 3.510 2.781 2.040 3.065 . 0 0 "[ . 1]" 1
752 1 28 VAL QG 1 29 LYS HA . . 3.940 3.273 3.173 3.462 . 0 0 "[ . 1]" 1
753 1 28 VAL QG 1 32 ARG QD . . 4.110 3.442 2.323 4.108 . 0 0 "[ . 1]" 1
754 1 28 VAL QG 1 53 ILE HA . . 5.000 4.654 4.054 5.007 0.007 4 0 "[ . 1]" 1
755 1 28 VAL QG 1 53 ILE HB . . 4.940 4.009 3.627 4.401 . 0 0 "[ . 1]" 1
756 1 28 VAL QG 1 53 ILE MG . . 3.210 2.257 1.861 2.582 . 0 0 "[ . 1]" 1
757 1 28 VAL QG 1 53 ILE MD . . 3.930 2.990 2.254 3.398 . 0 0 "[ . 1]" 1
758 1 29 LYS H 1 29 LYS QB . . 3.080 2.387 2.185 2.567 . 0 0 "[ . 1]" 1
759 1 29 LYS H 1 29 LYS QG . . 4.030 2.308 1.934 2.785 . 0 0 "[ . 1]" 1
760 1 29 LYS H 1 29 LYS QD . . 4.480 3.852 3.672 4.242 . 0 0 "[ . 1]" 1
761 1 29 LYS QB 1 30 ASP H . . 3.950 3.134 2.359 3.499 . 0 0 "[ . 1]" 1
762 1 29 LYS QD 1 30 ASP H . . 4.790 4.307 3.954 4.790 . 0 0 "[ . 1]" 1
763 1 30 ASP H 1 30 ASP QB . . 3.160 2.201 2.120 2.372 . 0 0 "[ . 1]" 1
764 1 30 ASP H 1 31 LYS QB . . 4.600 4.488 4.366 4.563 . 0 0 "[ . 1]" 1
765 1 30 ASP HA 1 33 LEU QD . . 3.620 2.719 2.204 3.508 . 0 0 "[ . 1]" 1
766 1 30 ASP QB 1 31 LYS H . . 3.600 2.385 2.319 2.504 . 0 0 "[ . 1]" 1
767 1 30 ASP QB 1 31 LYS HA . . 4.290 3.752 3.708 3.822 . 0 0 "[ . 1]" 1
768 1 31 LYS H 1 31 LYS QB . . 3.310 2.153 2.040 2.299 . 0 0 "[ . 1]" 1
769 1 31 LYS HA 1 31 LYS QG . . 3.590 2.382 2.110 2.703 . 0 0 "[ . 1]" 1
770 1 31 LYS HA 1 34 GLU QB . . 3.600 2.750 2.409 3.086 . 0 0 "[ . 1]" 1
771 1 31 LYS QB 1 32 ARG H . . 3.470 2.373 2.180 2.644 . 0 0 "[ . 1]" 1
772 1 32 ARG H 1 32 ARG QB . . 3.250 2.168 2.065 2.286 . 0 0 "[ . 1]" 1
773 1 32 ARG H 1 32 ARG QG . . 3.780 3.430 2.549 3.906 0.126 1 0 "[ . 1]" 1
774 1 32 ARG H 1 33 LEU QD . . 5.350 4.925 4.291 5.149 . 0 0 "[ . 1]" 1
775 1 32 ARG H 1 34 GLU QB . . 5.340 4.921 4.592 5.310 . 0 0 "[ . 1]" 1
776 1 32 ARG HA 1 32 ARG QD . . 4.730 3.786 2.728 4.121 . 0 0 "[ . 1]" 1
777 1 32 ARG QB 1 33 LEU H . . 3.910 2.311 2.018 2.506 . 0 0 "[ . 1]" 1
778 1 32 ARG QG 1 36 ILE MD . . 3.800 2.602 1.842 3.799 . 0 0 "[ . 1]" 1
779 1 32 ARG QD 1 36 ILE MD . . 4.970 3.430 2.571 4.198 . 0 0 "[ . 1]" 1
780 1 32 ARG QD 1 49 VAL MG1 . . 3.970 3.239 1.869 3.973 0.003 8 0 "[ . 1]" 1
781 1 33 LEU H 1 33 LEU QB . . 3.050 2.294 2.181 2.437 . 0 0 "[ . 1]" 1
782 1 33 LEU H 1 33 LEU QD . . 3.570 3.090 2.195 3.302 . 0 0 "[ . 1]" 1
783 1 33 LEU H 1 34 GLU QB . . 4.860 4.693 4.571 4.850 . 0 0 "[ . 1]" 1
784 1 33 LEU HA 1 33 LEU QD . . 2.970 2.332 1.994 2.918 . 0 0 "[ . 1]" 1
785 1 33 LEU HA 1 36 ILE QG . . 4.160 3.837 3.392 4.214 0.054 8 0 "[ . 1]" 1
786 1 33 LEU QB 1 34 GLU H . . 3.300 2.544 2.295 2.714 . 0 0 "[ . 1]" 1
787 1 33 LEU QD 1 34 GLU H . . 4.070 4.006 3.879 4.083 0.013 1 0 "[ . 1]" 1
788 1 34 GLU H 1 34 GLU QB . . 2.980 2.260 2.108 2.420 . 0 0 "[ . 1]" 1
789 1 34 GLU H 1 34 GLU QG . . 3.480 2.609 2.218 3.010 . 0 0 "[ . 1]" 1
790 1 34 GLU HA 1 34 GLU QG . . 3.320 2.480 2.314 2.717 . 0 0 "[ . 1]" 1
791 1 34 GLU QB 1 35 ILE H . . 3.550 2.478 2.311 2.665 . 0 0 "[ . 1]" 1
792 1 34 GLU QG 1 35 ILE H . . 4.800 4.212 4.045 4.415 . 0 0 "[ . 1]" 1
793 1 35 ILE MG 1 39 LYS QE . . 5.340 5.302 5.180 5.341 0.001 9 0 "[ . 1]" 1
794 1 36 ILE H 1 36 ILE QG . . 3.510 2.438 2.246 3.339 . 0 0 "[ . 1]" 1
795 1 37 LYS H 1 37 LYS QB . . 2.920 2.285 2.051 2.551 . 0 0 "[ . 1]" 1
796 1 37 LYS H 1 37 LYS QG . . 4.570 3.381 1.965 4.036 . 0 0 "[ . 1]" 1
797 1 37 LYS QB 1 38 GLU H . . 3.860 2.713 2.193 3.500 . 0 0 "[ . 1]" 1
798 1 37 LYS QE 1 37 LYS QG . . 2.880 2.240 2.070 2.491 . 0 0 "[ . 1]" 1
799 1 37 LYS QD 1 38 GLU H . . 4.600 3.907 2.841 4.581 . 0 0 "[ . 1]" 1
800 1 37 LYS QE 1 38 GLU H . . 4.850 4.335 3.224 4.835 . 0 0 "[ . 1]" 1
801 1 38 GLU H 1 39 LYS QG . . 4.960 4.814 4.307 4.969 0.009 9 0 "[ . 1]" 1
802 1 38 GLU HG2 1 39 LYS QG . . 4.060 3.487 3.046 3.725 . 0 0 "[ . 1]" 1
803 1 38 GLU HG3 1 39 LYS QG . . 4.100 2.408 2.042 2.625 . 0 0 "[ . 1]" 1
804 1 38 GLU HG3 1 39 LYS QE . . 4.790 4.552 4.122 4.787 . 0 0 "[ . 1]" 1
805 1 39 LYS H 1 39 LYS QB . . 3.640 2.624 2.541 2.703 . 0 0 "[ . 1]" 1
806 1 39 LYS H 1 39 LYS QG . . 3.900 3.339 2.804 3.530 . 0 0 "[ . 1]" 1
807 1 39 LYS HA 1 39 LYS QG . . 3.600 2.441 2.370 2.640 . 0 0 "[ . 1]" 1
808 1 39 LYS HA 1 39 LYS QD . . 3.970 3.383 3.242 3.739 . 0 0 "[ . 1]" 1
809 1 39 LYS HA 1 39 LYS QE . . 3.140 2.023 1.977 2.088 . 0 0 "[ . 1]" 1
810 1 39 LYS QB 1 39 LYS QE . . 4.290 2.608 2.328 2.787 . 0 0 "[ . 1]" 1
811 1 39 LYS QB 1 40 PRO HD3 . . 4.890 4.454 4.445 4.460 . 0 0 "[ . 1]" 1
812 1 39 LYS QB 1 41 GLU H . . 4.220 3.514 3.356 3.753 . 0 0 "[ . 1]" 1
813 1 39 LYS QB 1 42 LEU MD1 . . 3.300 2.766 2.431 3.013 . 0 0 "[ . 1]" 1
814 1 39 LYS QE 1 39 LYS QG . . 3.030 2.220 2.109 2.618 . 0 0 "[ . 1]" 1
815 1 39 LYS QD 1 42 LEU MD1 . . 3.490 2.581 2.108 3.231 . 0 0 "[ . 1]" 1
816 1 39 LYS QE 1 40 PRO HD2 . . 3.580 3.083 2.852 3.580 . 0 0 "[ . 1]" 1
817 1 41 GLU H 1 41 GLU QB . . 3.660 2.235 2.229 2.246 . 0 0 "[ . 1]" 1
818 1 41 GLU HA 1 41 GLU QG . . 2.770 2.484 2.469 2.500 . 0 0 "[ . 1]" 1
819 1 41 GLU QB 1 42 LEU HG . . 3.830 3.213 2.976 3.531 . 0 0 "[ . 1]" 1
820 1 41 GLU QG 1 42 LEU H . . 3.790 3.500 3.366 3.639 . 0 0 "[ . 1]" 1
821 1 41 GLU QG 1 42 LEU HG . . 4.630 3.115 2.752 3.417 . 0 0 "[ . 1]" 1
822 1 41 GLU QG 1 42 LEU MD2 . . 3.580 3.149 2.735 3.392 . 0 0 "[ . 1]" 1
823 1 41 GLU QG 1 43 ALA H . . 4.730 4.709 4.683 4.726 . 0 0 "[ . 1]" 1
824 1 42 LEU H 1 42 LEU QB . . 3.410 2.382 2.256 2.503 . 0 0 "[ . 1]" 1
825 1 42 LEU HA 1 45 ASP QB . . 4.150 3.169 2.281 3.525 . 0 0 "[ . 1]" 1
826 1 42 LEU QB 1 42 LEU HG . . 2.640 2.403 2.345 2.460 . 0 0 "[ . 1]" 1
827 1 42 LEU QB 1 43 ALA H . . 4.040 3.436 3.431 3.450 . 0 0 "[ . 1]" 1
828 1 42 LEU QB 1 43 ALA HA . . 5.340 4.148 4.130 4.164 . 0 0 "[ . 1]" 1
829 1 42 LEU QB 1 45 ASP H . . 4.280 4.103 4.011 4.150 . 0 0 "[ . 1]" 1
830 1 44 LYS H 1 44 LYS QB . . 3.590 2.339 2.285 2.469 . 0 0 "[ . 1]" 1
831 1 44 LYS H 1 44 LYS QG . . 4.100 3.193 2.631 4.098 . 0 0 "[ . 1]" 1
832 1 44 LYS HA 1 44 LYS QG . . 3.100 2.406 2.211 2.669 . 0 0 "[ . 1]" 1
833 1 44 LYS QB 1 45 ASP H . . 4.100 3.784 3.769 3.803 . 0 0 "[ . 1]" 1
834 1 45 ASP H 1 45 ASP QB . . 3.220 2.501 2.456 2.561 . 0 0 "[ . 1]" 1
835 1 45 ASP H 1 46 VAL QG . . 4.900 4.345 4.124 4.455 . 0 0 "[ . 1]" 1
836 1 45 ASP HA 1 46 VAL QG . . 4.050 3.955 3.873 4.045 . 0 0 "[ . 1]" 1
837 1 45 ASP QB 1 46 VAL H . . 4.390 3.914 3.864 4.013 . 0 0 "[ . 1]" 1
838 1 45 ASP QB 1 48 GLN H . . 3.350 2.645 2.423 3.198 . 0 0 "[ . 1]" 1
839 1 45 ASP QB 1 48 GLN HB3 . . 3.610 2.016 1.947 2.092 . 0 0 "[ . 1]" 1
840 1 45 ASP QB 1 49 VAL H . . 5.120 3.257 3.040 3.320 . 0 0 "[ . 1]" 1
841 1 45 ASP QB 1 49 VAL MG2 . . 4.560 3.947 3.773 4.027 . 0 0 "[ . 1]" 1
842 1 46 VAL H 1 46 VAL QG . . 2.940 2.057 2.000 2.129 . 0 0 "[ . 1]" 1
843 1 46 VAL QG 1 47 ALA H . . 3.520 3.207 3.170 3.253 . 0 0 "[ . 1]" 1
844 1 48 GLN HE21 1 52 LEU QB . . 4.710 4.181 4.061 4.333 . 0 0 "[ . 1]" 1
845 1 49 VAL HA 1 52 LEU QB . . 4.030 2.764 2.563 2.809 . 0 0 "[ . 1]" 1
846 1 50 GLY HA2 1 53 ILE QG . . 5.340 2.885 2.643 4.945 . 0 0 "[ . 1]" 1
847 1 51 LYS H 1 51 LYS QB . . 2.970 2.188 2.043 2.424 . 0 0 "[ . 1]" 1
848 1 51 LYS H 1 51 LYS QG . . 4.010 3.290 2.262 4.007 . 0 0 "[ . 1]" 1
849 1 51 LYS H 1 51 LYS QD . . 4.100 2.910 2.222 4.067 . 0 0 "[ . 1]" 1
850 1 51 LYS H 1 51 LYS QE . . 4.390 4.194 3.242 4.409 0.019 4 0 "[ . 1]" 1
851 1 51 LYS HA 1 51 LYS QD . . 3.170 2.419 1.983 2.620 . 0 0 "[ . 1]" 1
852 1 51 LYS HA 1 51 LYS QE . . 4.880 3.419 1.981 4.365 . 0 0 "[ . 1]" 1
853 1 51 LYS QD 1 52 LEU H . . 5.340 4.664 4.351 5.133 . 0 0 "[ . 1]" 1
854 1 52 LEU QB 1 52 LEU MD2 . . 3.170 2.324 2.316 2.327 . 0 0 "[ . 1]" 1
855 1 52 LEU QB 1 53 ILE H . . 4.160 2.426 2.164 2.509 . 0 0 "[ . 1]" 1
856 1 52 LEU QB 1 53 ILE MD . . 3.820 2.458 2.370 2.480 . 0 0 "[ . 1]" 1
857 1 53 ILE H 1 53 ILE QG . . 3.310 2.217 2.068 3.424 0.114 4 0 "[ . 1]" 1
858 1 53 ILE QG 1 54 GLY H . . 4.280 3.811 3.699 4.358 0.078 4 0 "[ . 1]" 1
859 1 54 GLY HA2 1 57 TRP QB . . 4.220 2.765 2.581 3.145 . 0 0 "[ . 1]" 1
860 1 55 GLU H 1 55 GLU QB . . 2.970 2.362 2.278 2.550 . 0 0 "[ . 1]" 1
861 1 55 GLU H 1 55 GLU QG . . 3.320 2.389 2.017 2.583 . 0 0 "[ . 1]" 1
862 1 55 GLU HA 1 55 GLU QG . . 3.490 2.680 2.201 3.338 . 0 0 "[ . 1]" 1
863 1 55 GLU QB 1 56 ALA H . . 3.270 2.578 2.320 3.300 0.030 2 0 "[ . 1]" 1
864 1 55 GLU QG 1 56 ALA H . . 4.210 3.665 1.895 4.200 . 0 0 "[ . 1]" 1
865 1 56 ALA HA 1 59 GLN QE . . 3.870 2.604 1.976 3.591 . 0 0 "[ . 1]" 1
866 1 57 TRP H 1 57 TRP QB . . 3.340 2.152 2.115 2.208 . 0 0 "[ . 1]" 1
867 1 57 TRP H 1 60 LEU QB . . 4.930 4.375 4.133 4.540 . 0 0 "[ . 1]" 1
868 1 57 TRP H 1 60 LEU QD . . 5.440 4.247 3.626 5.027 . 0 0 "[ . 1]" 1
869 1 57 TRP HA 1 60 LEU QB . . 3.250 2.165 1.958 2.499 . 0 0 "[ . 1]" 1
870 1 57 TRP HA 1 60 LEU QD . . 3.400 2.606 1.957 3.120 . 0 0 "[ . 1]" 1
871 1 57 TRP HA 1 65 LYS QD . . 4.630 3.937 3.179 4.359 . 0 0 "[ . 1]" 1
872 1 57 TRP HE1 1 65 LYS QD . . 4.960 3.550 2.375 4.945 . 0 0 "[ . 1]" 1
873 1 58 GLY QA 1 60 LEU H . . 4.600 3.717 3.531 3.829 . 0 0 "[ . 1]" 1
874 1 59 GLN H 1 59 GLN QG . . 3.290 2.257 2.126 2.334 . 0 0 "[ . 1]" 1
875 1 59 GLN H 1 60 LEU QB . . 4.290 3.943 3.701 4.212 . 0 0 "[ . 1]" 1
876 1 59 GLN HA 1 59 GLN QG . . 3.490 3.323 3.317 3.331 . 0 0 "[ . 1]" 1
877 1 59 GLN HB3 1 59 GLN QE . . 4.200 3.564 1.978 4.006 . 0 0 "[ . 1]" 1
878 1 59 GLN QG 1 60 LEU H . . 4.040 2.867 2.356 3.313 . 0 0 "[ . 1]" 1
879 1 59 GLN QG 1 60 LEU QB . . 4.510 3.862 3.460 4.260 . 0 0 "[ . 1]" 1
880 1 59 GLN QG 1 60 LEU QD . . 4.470 3.617 3.042 4.267 . 0 0 "[ . 1]" 1
881 1 60 LEU H 1 60 LEU QB . . 3.300 2.097 2.037 2.198 . 0 0 "[ . 1]" 1
882 1 60 LEU H 1 60 LEU QD . . 3.570 3.371 3.138 3.615 0.045 1 0 "[ . 1]" 1
883 1 60 LEU HA 1 60 LEU QD . . 3.210 2.136 1.878 2.848 . 0 0 "[ . 1]" 1
884 1 60 LEU HA 1 64 GLN QE . . 4.490 4.360 3.991 4.496 0.006 4 0 "[ . 1]" 1
885 1 60 LEU QB 1 61 SER H . . 4.050 3.200 2.661 3.608 . 0 0 "[ . 1]" 1
886 1 60 LEU QB 1 65 LYS QG . . 4.710 2.331 1.915 2.890 . 0 0 "[ . 1]" 1
887 1 60 LEU HG 1 64 GLN QE . . 4.740 3.380 2.387 4.129 . 0 0 "[ . 1]" 1
888 1 60 LEU HG 1 65 LYS QG . . 4.550 3.581 2.546 4.379 . 0 0 "[ . 1]" 1
889 1 60 LEU HG 1 65 LYS QD . . 4.370 4.179 3.469 4.399 0.029 5 0 "[ . 1]" 1
890 1 60 LEU QD 1 61 SER H . . 3.640 2.441 1.853 3.162 . 0 0 "[ . 1]" 1
891 1 60 LEU QD 1 64 GLN HB2 . . 3.810 2.258 1.886 2.606 . 0 0 "[ . 1]" 1
892 1 60 LEU QD 1 64 GLN QE . . 3.550 2.161 1.813 2.700 . 0 0 "[ . 1]" 1
893 1 60 LEU QD 1 65 LYS HA . . 4.050 3.492 2.414 4.071 0.021 4 0 "[ . 1]" 1
894 1 60 LEU QD 1 65 LYS QG . . 4.280 2.357 1.891 2.758 . 0 0 "[ . 1]" 1
895 1 61 SER H 1 61 SER QB . . 3.550 2.400 2.122 2.902 . 0 0 "[ . 1]" 1
896 1 61 SER H 1 64 GLN QG . . 4.610 4.513 3.950 4.627 0.017 5 0 "[ . 1]" 1
897 1 61 SER H 1 64 GLN QE . . 4.120 3.354 2.708 3.979 . 0 0 "[ . 1]" 1
898 1 64 GLN H 1 64 GLN QG . . 3.380 2.531 2.122 3.386 0.006 5 0 "[ . 1]" 1
899 1 64 GLN H 1 65 LYS QG . . 4.540 4.273 3.784 4.540 0.000 2 0 "[ . 1]" 1
900 1 64 GLN HA 1 64 GLN QG . . 3.330 2.406 2.107 2.557 . 0 0 "[ . 1]" 1
901 1 64 GLN QG 1 65 LYS H . . 4.560 4.129 3.859 4.561 0.001 5 0 "[ . 1]" 1
902 1 65 LYS H 1 65 LYS QG . . 3.680 2.655 2.278 2.893 . 0 0 "[ . 1]" 1
903 1 65 LYS H 1 65 LYS QD . . 5.050 4.121 3.648 4.666 . 0 0 "[ . 1]" 1
904 1 65 LYS HA 1 65 LYS QG . . 3.570 2.443 2.131 2.646 . 0 0 "[ . 1]" 1
905 1 65 LYS HA 1 65 LYS QD . . 4.160 2.977 2.047 4.098 . 0 0 "[ . 1]" 1
906 1 65 LYS HA 1 68 TYR QB . . 4.130 2.223 2.166 2.297 . 0 0 "[ . 1]" 1
907 1 65 LYS HA 1 69 GLU QG . . 4.150 3.109 2.660 3.344 . 0 0 "[ . 1]" 1
908 1 65 LYS HB2 1 65 LYS QD . . 3.660 3.160 2.317 3.489 . 0 0 "[ . 1]" 1
909 1 65 LYS HB3 1 68 TYR QB . . 5.300 4.478 4.379 4.593 . 0 0 "[ . 1]" 1
910 1 65 LYS HB3 1 69 GLU QG . . 3.320 2.737 2.489 3.002 . 0 0 "[ . 1]" 1
911 1 65 LYS QE 1 65 LYS QG . . 3.330 2.254 2.013 2.633 . 0 0 "[ . 1]" 1
912 1 66 ALA H 1 67 PRO QG . . 4.550 4.096 4.068 4.114 . 0 0 "[ . 1]" 1
913 1 66 ALA H 1 67 PRO QD . . 3.470 2.174 2.144 2.192 . 0 0 "[ . 1]" 1
914 1 66 ALA H 1 69 GLU QG . . 4.940 4.852 4.650 4.943 0.003 2 0 "[ . 1]" 1
915 1 66 ALA MB 1 67 PRO QG . . 4.190 3.561 3.548 3.571 . 0 0 "[ . 1]" 1
916 1 66 ALA MB 1 67 PRO QD . . 3.000 1.855 1.836 1.866 . 0 0 "[ . 1]" 1
917 1 66 ALA MB 1 69 GLU QG . . 5.340 5.283 5.118 5.449 0.109 9 0 "[ . 1]" 1
918 1 67 PRO HA 1 70 LYS QB . . 3.230 2.512 2.402 2.686 . 0 0 "[ . 1]" 1
919 1 67 PRO QG 1 68 TYR H . . 4.040 2.040 1.933 2.164 . 0 0 "[ . 1]" 1
920 1 67 PRO QD 1 68 TYR H . . 4.130 2.648 2.616 2.689 . 0 0 "[ . 1]" 1
921 1 68 TYR QB 1 69 GLU H . . 4.160 2.515 2.367 2.573 . 0 0 "[ . 1]" 1
922 1 69 GLU H 1 69 GLU QG . . 3.310 2.499 2.202 2.693 . 0 0 "[ . 1]" 1
923 1 69 GLU HA 1 69 GLU QG . . 3.340 2.555 2.321 2.821 . 0 0 "[ . 1]" 1
924 1 69 GLU QG 1 70 LYS H . . 4.600 4.066 4.006 4.108 . 0 0 "[ . 1]" 1
925 1 70 LYS H 1 70 LYS QB . . 3.020 2.237 2.172 2.315 . 0 0 "[ . 1]" 1
926 1 70 LYS H 1 70 LYS QG . . 4.700 3.411 2.437 4.035 . 0 0 "[ . 1]" 1
927 1 70 LYS H 1 70 LYS QD . . 5.340 4.293 3.625 4.736 . 0 0 "[ . 1]" 1
928 1 70 LYS H 1 70 LYS QE . . 5.340 4.488 4.006 4.887 . 0 0 "[ . 1]" 1
929 1 70 LYS HA 1 70 LYS QG . . 3.440 2.480 2.245 3.064 . 0 0 "[ . 1]" 1
930 1 70 LYS QB 1 70 LYS QE . . 3.900 2.252 2.045 2.800 . 0 0 "[ . 1]" 1
931 1 70 LYS QB 1 71 LYS H . . 3.420 2.371 2.131 2.534 . 0 0 "[ . 1]" 1
932 1 70 LYS QE 1 71 LYS H . . 5.110 4.684 3.507 5.101 . 0 0 "[ . 1]" 1
933 1 70 LYS QE 1 74 LEU QD . . 4.780 3.204 2.025 4.350 . 0 0 "[ . 1]" 1
934 1 71 LYS H 1 71 LYS QG . . 3.630 2.942 2.300 3.637 0.007 4 0 "[ . 1]" 1
935 1 71 LYS H 1 71 LYS QD . . 3.960 3.036 2.026 4.164 0.204 6 0 "[ . 1]" 1
936 1 71 LYS H 1 71 LYS QE . . 4.910 4.481 4.057 4.895 . 0 0 "[ . 1]" 1
937 1 71 LYS H 1 74 LEU QD . . 5.440 4.353 3.801 4.721 . 0 0 "[ . 1]" 1
938 1 71 LYS HA 1 71 LYS QG . . 3.680 2.492 2.250 2.823 . 0 0 "[ . 1]" 1
939 1 71 LYS HA 1 71 LYS QD . . 3.510 2.512 2.001 3.539 0.029 6 0 "[ . 1]" 1
940 1 71 LYS HA 1 71 LYS QE . . 4.780 3.903 3.380 4.362 . 0 0 "[ . 1]" 1
941 1 71 LYS HA 1 74 LEU QD . . 3.810 3.148 2.632 3.387 . 0 0 "[ . 1]" 1
942 1 71 LYS HB3 1 71 LYS QE . . 4.740 3.621 2.041 4.436 . 0 0 "[ . 1]" 1
943 1 71 LYS QE 1 71 LYS QG . . 3.260 2.238 2.075 2.490 . 0 0 "[ . 1]" 1
944 1 71 LYS QG 1 72 ALA H . . 5.010 4.223 3.907 4.451 . 0 0 "[ . 1]" 1
945 1 72 ALA HA 1 75 ASP QB . . 4.430 2.801 2.609 2.952 . 0 0 "[ . 1]" 1
946 1 73 GLN H 1 73 GLN QG . . 4.120 4.001 3.967 4.047 . 0 0 "[ . 1]" 1
947 1 73 GLN H 1 73 GLN QE . . 5.340 4.771 4.376 5.165 . 0 0 "[ . 1]" 1
948 1 73 GLN H 1 74 LEU QD . . 5.440 4.487 4.068 4.952 . 0 0 "[ . 1]" 1
949 1 73 GLN HB3 1 74 LEU QD . . 3.750 3.299 2.484 3.751 0.001 3 0 "[ . 1]" 1
950 1 73 GLN QG 1 74 LEU QD . . 4.430 3.902 3.628 4.419 . 0 0 "[ . 1]" 1
951 1 73 GLN QG 1 76 LYS H . . 5.340 4.988 4.682 5.290 . 0 0 "[ . 1]" 1
952 1 73 GLN QG 1 77 VAL QG . . 4.530 3.067 2.178 4.051 . 0 0 "[ . 1]" 1
953 1 73 GLN QE 1 74 LEU HA . . 4.690 2.904 2.115 3.404 . 0 0 "[ . 1]" 1
954 1 73 GLN QE 1 74 LEU HG . . 4.640 3.438 2.722 4.661 0.021 10 0 "[ . 1]" 1
955 1 73 GLN QE 1 75 ASP H . . 5.340 5.095 4.653 5.340 0.000 3 0 "[ . 1]" 1
956 1 73 GLN QE 1 77 VAL QG . . 4.230 2.647 1.766 3.823 . 0 0 "[ . 1]" 1
957 1 74 LEU H 1 74 LEU QD . . 3.280 2.608 1.956 3.097 . 0 0 "[ . 1]" 1
958 1 74 LEU H 1 75 ASP QB . . 5.120 4.654 4.543 4.759 . 0 0 "[ . 1]" 1
959 1 74 LEU H 1 77 VAL QG . . 4.900 4.301 3.914 4.595 . 0 0 "[ . 1]" 1
960 1 74 LEU HA 1 74 LEU QD . . 3.310 2.429 1.971 2.755 . 0 0 "[ . 1]" 1
961 1 74 LEU HA 1 77 VAL QG . . 3.500 2.773 1.977 3.398 . 0 0 "[ . 1]" 1
962 1 74 LEU QD 1 75 ASP H . . 4.770 3.976 3.853 4.137 . 0 0 "[ . 1]" 1
963 1 75 ASP H 1 75 ASP QB . . 3.200 2.264 2.144 2.355 . 0 0 "[ . 1]" 1
964 1 75 ASP H 1 76 LYS QB . . 4.720 4.354 4.298 4.420 . 0 0 "[ . 1]" 1
965 1 75 ASP H 1 77 VAL QG . . 5.080 4.608 3.971 5.062 . 0 0 "[ . 1]" 1
966 1 75 ASP HA 1 78 ARG QB . . 3.590 2.589 2.287 3.633 0.043 10 0 "[ . 1]" 1
967 1 75 ASP HA 1 78 ARG QG . . 4.480 3.944 1.970 4.395 . 0 0 "[ . 1]" 1
968 1 75 ASP HA 1 78 ARG QD . . 3.890 3.040 2.281 3.635 . 0 0 "[ . 1]" 1
969 1 75 ASP QB 1 76 LYS H . . 3.640 2.608 2.389 2.823 . 0 0 "[ . 1]" 1
970 1 75 ASP QB 1 76 LYS HA . . 4.880 3.904 3.832 4.024 . 0 0 "[ . 1]" 1
971 1 76 LYS H 1 76 LYS QB . . 3.070 2.239 2.210 2.251 . 0 0 "[ . 1]" 1
972 1 76 LYS H 1 76 LYS QG . . 4.400 3.962 3.932 3.975 . 0 0 "[ . 1]" 1
973 1 76 LYS H 1 76 LYS QD . . 4.500 4.401 4.345 4.494 . 0 0 "[ . 1]" 1
974 1 76 LYS H 1 77 VAL QG . . 4.210 3.957 3.649 4.178 . 0 0 "[ . 1]" 1
975 1 76 LYS QB 1 77 VAL H . . 3.640 2.445 2.277 2.635 . 0 0 "[ . 1]" 1
976 1 77 VAL H 1 77 VAL QG . . 3.080 2.056 1.913 2.296 . 0 0 "[ . 1]" 1
977 1 77 VAL H 1 78 ARG QB . . 4.910 4.441 4.338 4.742 . 0 0 "[ . 1]" 1
978 1 77 VAL HA 1 80 SER QB . . 3.430 2.643 2.439 3.178 . 0 0 "[ . 1]" 1
979 1 77 VAL QG 1 78 ARG H . . 3.420 2.669 2.073 3.147 . 0 0 "[ . 1]" 1
980 1 77 VAL QG 1 78 ARG HA . . 3.720 3.235 2.991 3.458 . 0 0 "[ . 1]" 1
981 1 77 VAL QG 1 80 SER QB . . 4.450 3.550 3.278 3.798 . 0 0 "[ . 1]" 1
982 1 77 VAL QG 1 81 LYS H . . 5.440 3.703 3.640 3.843 . 0 0 "[ . 1]" 1
983 1 78 ARG H 1 78 ARG QG . . 4.210 3.035 2.472 3.971 . 0 0 "[ . 1]" 1
984 1 78 ARG H 1 78 ARG QD . . 4.670 3.919 3.473 4.525 . 0 0 "[ . 1]" 1
985 1 78 ARG H 1 79 TYR QB . . 5.340 4.518 4.418 4.640 . 0 0 "[ . 1]" 1
986 1 78 ARG HA 1 78 ARG QD . . 4.630 4.097 3.845 4.611 . 0 0 "[ . 1]" 1
987 1 78 ARG QB 1 79 TYR H . . 3.540 2.573 2.267 3.498 . 0 0 "[ . 1]" 1
988 1 78 ARG QB 1 79 TYR QB . . 5.180 3.965 3.769 4.777 . 0 0 "[ . 1]" 1
989 1 79 TYR H 1 79 TYR QB . . 3.250 2.237 2.190 2.257 . 0 0 "[ . 1]" 1
990 1 79 TYR QB 1 80 SER H . . 3.510 2.474 2.322 2.590 . 0 0 "[ . 1]" 1
991 1 79 TYR QB 1 81 LYS H . . 5.270 4.946 4.752 5.035 . 0 0 "[ . 1]" 1
992 1 79 TYR QB 1 82 GLU HB2 . . 5.340 4.430 4.364 4.518 . 0 0 "[ . 1]" 1
993 1 80 SER H 1 80 SER QB . . 2.910 2.250 2.145 2.389 . 0 0 "[ . 1]" 1
994 1 80 SER H 1 81 LYS QB . . 5.340 4.642 4.573 4.869 . 0 0 "[ . 1]" 1
995 1 80 SER HA 1 84 GLU QG . . 4.340 4.015 3.917 4.159 . 0 0 "[ . 1]" 1
996 1 80 SER QB 1 81 LYS H . . 3.930 2.295 2.231 2.376 . 0 0 "[ . 1]" 1
997 1 81 LYS H 1 81 LYS QB . . 3.020 2.241 2.168 2.443 . 0 0 "[ . 1]" 1
998 1 81 LYS H 1 81 LYS QG . . 4.500 3.280 2.170 4.052 . 0 0 "[ . 1]" 1
999 1 81 LYS H 1 81 LYS QD . . 4.730 4.123 3.794 4.570 . 0 0 "[ . 1]" 1
1000 1 81 LYS H 1 84 GLU QG . . 5.300 4.745 4.499 5.110 . 0 0 "[ . 1]" 1
1001 1 81 LYS HA 1 81 LYS QG . . 3.530 2.581 2.195 2.782 . 0 0 "[ . 1]" 1
1002 1 81 LYS HA 1 81 LYS QD . . 3.500 2.392 2.031 3.194 . 0 0 "[ . 1]" 1
1003 1 81 LYS QB 1 82 GLU H . . 3.870 2.500 2.457 2.583 . 0 0 "[ . 1]" 1
1004 1 81 LYS QG 1 82 GLU H . . 5.090 4.044 3.656 4.326 . 0 0 "[ . 1]" 1
1005 1 81 LYS QD 1 82 GLU H . . 5.090 4.764 3.608 5.005 . 0 0 "[ . 1]" 1
1006 1 82 GLU H 1 82 GLU QG . . 3.440 2.675 2.407 2.764 . 0 0 "[ . 1]" 1
1007 1 82 GLU HA 1 82 GLU QG . . 3.370 2.419 2.215 2.595 . 0 0 "[ . 1]" 1
1008 1 82 GLU QG 1 83 ILE H . . 4.920 4.115 4.001 4.173 . 0 0 "[ . 1]" 1
1009 1 83 ILE H 1 84 GLU QG . . 5.340 5.177 5.123 5.255 . 0 0 "[ . 1]" 1
1010 1 83 ILE MG 1 84 GLU QG . . 4.600 3.022 2.923 3.054 . 0 0 "[ . 1]" 1
1011 1 83 ILE MG 1 87 ARG QD . . 4.420 4.119 3.042 4.406 . 0 0 "[ . 1]" 1
1012 1 83 ILE HG13 1 87 ARG QD . . 4.340 3.316 2.171 3.822 . 0 0 "[ . 1]" 1
1013 1 84 GLU H 1 84 GLU QG . . 3.600 3.070 2.992 3.112 . 0 0 "[ . 1]" 1
1014 1 84 GLU H 1 85 GLU QG . . 4.690 4.302 3.861 4.610 . 0 0 "[ . 1]" 1
1015 1 85 GLU H 1 85 GLU QB . . 3.340 2.519 2.441 2.592 . 0 0 "[ . 1]" 1
1016 1 85 GLU H 1 85 GLU QG . . 3.220 2.087 1.917 2.331 . 0 0 "[ . 1]" 1
1017 1 85 GLU QB 1 86 TYR H . . 3.550 2.741 2.414 3.351 . 0 0 "[ . 1]" 1
1018 1 85 GLU QB 1 86 TYR HA . . 4.320 3.952 3.807 4.233 . 0 0 "[ . 1]" 1
1019 1 85 GLU QG 1 86 TYR H . . 4.030 3.359 2.032 4.002 . 0 0 "[ . 1]" 1
1020 1 86 TYR H 1 89 LYS QD . . 5.340 4.106 3.881 5.344 0.004 8 0 "[ . 1]" 1
1021 1 86 TYR HA 1 89 LYS QG . . 4.220 2.293 2.275 2.324 . 0 0 "[ . 1]" 1
1022 1 86 TYR HA 1 89 LYS QD . . 4.130 2.862 2.739 3.498 . 0 0 "[ . 1]" 1
1023 1 86 TYR HB3 1 89 LYS QG . . 5.340 4.496 4.473 4.541 . 0 0 "[ . 1]" 1
1024 1 87 ARG H 1 87 ARG QG . . 4.360 3.834 2.662 4.023 . 0 0 "[ . 1]" 1
1025 1 87 ARG H 1 87 ARG QD . . 4.470 4.282 3.830 4.469 . 0 0 "[ . 1]" 1
1026 1 87 ARG HA 1 87 ARG QG . . 3.220 2.382 2.277 2.520 . 0 0 "[ . 1]" 1
1027 1 87 ARG HA 1 87 ARG QD . . 4.620 3.817 2.586 4.060 . 0 0 "[ . 1]" 1
1028 1 87 ARG HB2 1 87 ARG QD . . 2.970 2.354 2.155 2.621 . 0 0 "[ . 1]" 1
1029 1 88 LYS H 1 88 LYS QG . . 4.460 3.142 2.495 4.047 . 0 0 "[ . 1]" 1
1030 1 88 LYS H 1 88 LYS QD . . 4.070 3.766 2.697 4.063 . 0 0 "[ . 1]" 1
1031 1 88 LYS H 1 88 LYS QE . . 5.190 4.597 3.880 5.114 . 0 0 "[ . 1]" 1
1032 1 88 LYS H 1 89 LYS QG . . 5.100 4.304 4.203 4.321 . 0 0 "[ . 1]" 1
1033 1 88 LYS HA 1 88 LYS QG . . 3.200 2.513 2.233 2.715 . 0 0 "[ . 1]" 1
1034 1 88 LYS QB 1 88 LYS QE . . 3.790 2.733 2.074 3.671 . 0 0 "[ . 1]" 1
1035 1 88 LYS QD 1 88 LYS QE . . 2.370 2.060 2.016 2.090 . 0 0 "[ . 1]" 1
1036 1 89 LYS H 1 89 LYS QG . . 3.750 2.166 2.150 2.174 . 0 0 "[ . 1]" 1
1037 1 89 LYS H 1 89 LYS QD . . 4.660 3.373 3.260 4.200 . 0 0 "[ . 1]" 1
1038 1 89 LYS HA 1 89 LYS QE . . 4.890 4.711 4.513 4.874 . 0 0 "[ . 1]" 1
1039 1 89 LYS HB3 1 89 LYS QG . . 2.620 2.485 2.391 2.497 . 0 0 "[ . 1]" 1
1040 1 89 LYS HB3 1 89 LYS QE . . 4.320 2.855 2.438 3.122 . 0 0 "[ . 1]" 1
1041 1 89 LYS QD 1 89 LYS QG . . 2.350 2.022 2.014 2.030 . 0 0 "[ . 1]" 1
1042 1 89 LYS QG 1 90 ASN H . . 4.510 3.697 3.694 3.700 . 0 0 "[ . 1]" 1
1043 1 91 GLN HA 1 91 GLN QG . . 3.270 2.594 2.210 3.418 0.148 10 0 "[ . 1]" 1
1044 1 91 GLN QB 1 92 GLU H . . 4.420 3.593 3.273 4.007 . 0 0 "[ . 1]" 1
1045 1 92 GLU H 1 92 GLU QB . . 3.430 2.355 2.247 2.626 . 0 0 "[ . 1]" 1
1046 1 92 GLU H 1 92 GLU QG . . 4.790 3.410 2.464 4.049 . 0 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 88
_Distance_constraint_stats_list.Viol_count 852
_Distance_constraint_stats_list.Viol_total 1664.432
_Distance_constraint_stats_list.Viol_max 0.376
_Distance_constraint_stats_list.Viol_rms 0.0949
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1891
_Distance_constraint_stats_list.Viol_average_violations_only 0.1954
_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 25 MET 2.606 0.259 5 0 "[ . 1]"
1 26 PHE 3.601 0.261 6 0 "[ . 1]"
1 27 TYR 2.498 0.278 3 0 "[ . 1]"
1 28 VAL 2.858 0.274 9 0 "[ . 1]"
1 29 LYS 5.532 0.259 5 0 "[ . 1]"
1 30 ASP 7.862 0.295 4 0 "[ . 1]"
1 31 LYS 5.551 0.280 10 0 "[ . 1]"
1 32 ARG 6.203 0.290 8 0 "[ . 1]"
1 33 LEU 6.036 0.274 7 0 "[ . 1]"
1 34 GLU 9.153 0.301 8 0 "[ . 1]"
1 35 ILE 3.054 0.280 10 0 "[ . 1]"
1 36 ILE 3.345 0.290 8 0 "[ . 1]"
1 37 LYS 3.110 0.274 7 0 "[ . 1]"
1 38 GLU 4.893 0.301 8 0 "[ . 1]"
1 45 ASP 5.804 0.325 9 0 "[ . 1]"
1 46 VAL 4.808 0.276 1 0 "[ . 1]"
1 47 ALA 5.500 0.310 2 0 "[ . 1]"
1 48 GLN 6.986 0.372 3 0 "[ . 1]"
1 49 VAL 12.606 0.376 5 0 "[ . 1]"
1 50 GLY 10.633 0.343 7 0 "[ . 1]"
1 51 LYS 10.003 0.311 3 0 "[ . 1]"
1 52 LEU 9.461 0.372 3 0 "[ . 1]"
1 53 ILE 10.564 0.376 5 0 "[ . 1]"
1 54 GLY 9.287 0.343 7 0 "[ . 1]"
1 55 GLU 8.382 0.311 3 0 "[ . 1]"
1 56 ALA 2.474 0.255 7 0 "[ . 1]"
1 57 TRP 3.762 0.305 7 0 "[ . 1]"
1 58 GLY 3.461 0.271 5 0 "[ . 1]"
1 59 GLN 3.880 0.250 6 0 "[ . 1]"
1 62 PRO 3.121 0.218 8 0 "[ . 1]"
1 64 GLN 5.391 0.307 7 0 "[ . 1]"
1 65 LYS 0.492 0.046 3 0 "[ . 1]"
1 66 ALA 8.137 0.332 6 0 "[ . 1]"
1 67 PRO 0.602 0.088 4 0 "[ . 1]"
1 68 TYR 9.674 0.307 7 0 "[ . 1]"
1 69 GLU 1.157 0.064 10 0 "[ . 1]"
1 70 LYS 9.745 0.332 6 0 "[ . 1]"
1 71 LYS 1.493 0.205 4 0 "[ . 1]"
1 72 ALA 7.791 0.264 4 0 "[ . 1]"
1 73 GLN 4.455 0.288 10 0 "[ . 1]"
1 74 LEU 8.764 0.285 10 0 "[ . 1]"
1 75 ASP 3.196 0.282 4 0 "[ . 1]"
1 76 LYS 7.786 0.287 10 0 "[ . 1]"
1 77 VAL 7.454 0.288 10 0 "[ . 1]"
1 78 ARG 7.624 0.285 10 0 "[ . 1]"
1 79 TYR 6.408 0.282 4 0 "[ . 1]"
1 80 SER 7.393 0.287 10 0 "[ . 1]"
1 81 LYS 8.706 0.295 10 0 "[ . 1]"
1 82 GLU 9.559 0.347 8 0 "[ . 1]"
1 83 ILE 4.496 0.267 9 0 "[ . 1]"
1 84 GLU 9.079 0.316 8 0 "[ . 1]"
1 85 GLU 9.583 0.295 10 0 "[ . 1]"
1 86 TYR 5.972 0.347 8 0 "[ . 1]"
1 87 ARG 0.393 0.043 4 0 "[ . 1]"
1 88 LYS 5.963 0.316 8 0 "[ . 1]"
1 89 LYS 4.542 0.268 4 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 85 GLU O 1 89 LYS H . . 1.800 2.061 2.055 2.068 0.268 4 0 "[ . 1]" 2
2 1 85 GLU O 1 89 LYS N . . 2.700 2.894 2.879 2.944 0.244 8 0 "[ . 1]" 2
3 1 84 GLU O 1 88 LYS H . . 1.800 2.086 2.077 2.116 0.316 8 0 "[ . 1]" 2
4 1 84 GLU O 1 88 LYS N . . 2.700 3.011 3.007 3.014 0.314 9 0 "[ . 1]" 2
5 1 83 ILE O 1 87 ARG H . . 1.800 1.791 1.790 1.792 . 0 0 "[ . 1]" 2
6 1 83 ILE O 1 87 ARG N . . 2.700 2.739 2.726 2.743 0.043 4 0 "[ . 1]" 2
7 1 82 GLU O 1 86 TYR H . . 1.800 2.065 2.059 2.073 0.273 8 0 "[ . 1]" 2
8 1 82 GLU O 1 86 TYR N . . 2.700 3.032 3.024 3.047 0.347 8 0 "[ . 1]" 2
9 1 81 LYS O 1 85 GLU H . . 1.800 2.018 2.010 2.026 0.226 7 0 "[ . 1]" 2
10 1 81 LYS O 1 85 GLU N . . 2.700 2.986 2.979 2.995 0.295 10 0 "[ . 1]" 2
11 1 80 SER O 1 84 GLU H . . 1.800 2.005 2.002 2.007 0.207 10 0 "[ . 1]" 2
12 1 80 SER O 1 84 GLU N . . 2.700 2.807 2.799 2.812 0.112 7 0 "[ . 1]" 2
13 1 79 TYR O 1 83 ILE H . . 1.800 1.976 1.914 2.010 0.210 10 0 "[ . 1]" 2
14 1 79 TYR O 1 83 ILE N . . 2.700 2.935 2.871 2.967 0.267 9 0 "[ . 1]" 2
15 1 78 ARG O 1 82 GLU H . . 1.800 1.972 1.897 2.014 0.214 10 0 "[ . 1]" 2
16 1 78 ARG O 1 82 GLU N . . 2.700 2.886 2.808 2.955 0.255 4 0 "[ . 1]" 2
17 1 77 VAL O 1 81 LYS H . . 1.800 1.951 1.826 2.015 0.215 7 0 "[ . 1]" 2
18 1 77 VAL O 1 81 LYS N . . 2.700 2.916 2.783 2.982 0.282 7 0 "[ . 1]" 2
19 1 76 LYS O 1 80 SER H . . 1.800 2.001 1.994 2.014 0.214 10 0 "[ . 1]" 2
20 1 76 LYS O 1 80 SER N . . 2.700 2.927 2.895 2.987 0.287 10 0 "[ . 1]" 2
21 1 75 ASP O 1 79 TYR H . . 1.800 1.899 1.820 2.027 0.227 10 0 "[ . 1]" 2
22 1 75 ASP O 1 79 TYR N . . 2.700 2.831 2.750 2.982 0.282 4 0 "[ . 1]" 2
23 1 74 LEU O 1 78 ARG H . . 1.800 1.988 1.932 2.010 0.210 10 0 "[ . 1]" 2
24 1 74 LEU O 1 78 ARG N . . 2.700 2.916 2.814 2.985 0.285 10 0 "[ . 1]" 2
25 1 73 GLN O 1 77 VAL H . . 1.800 1.961 1.814 2.051 0.251 10 0 "[ . 1]" 2
26 1 73 GLN O 1 77 VAL N . . 2.700 2.918 2.749 2.988 0.288 10 0 "[ . 1]" 2
27 1 72 ALA O 1 76 LYS H . . 1.800 2.002 1.992 2.006 0.206 7 0 "[ . 1]" 2
28 1 72 ALA O 1 76 LYS N . . 2.700 2.849 2.753 2.913 0.213 5 0 "[ . 1]" 2
29 1 71 LYS O 1 75 ASP H . . 1.800 1.825 1.796 1.930 0.130 4 0 "[ . 1]" 2
30 1 71 LYS O 1 75 ASP N . . 2.700 2.763 2.743 2.905 0.205 4 0 "[ . 1]" 2
31 1 70 LYS O 1 74 LEU H . . 1.800 2.005 1.987 2.014 0.214 10 0 "[ . 1]" 2
32 1 70 LYS O 1 74 LEU N . . 2.700 2.967 2.941 2.980 0.280 7 0 "[ . 1]" 2
33 1 69 GLU O 1 73 GLN H . . 1.800 1.818 1.797 1.864 0.064 10 0 "[ . 1]" 2
34 1 69 GLU O 1 73 GLN N . . 2.700 2.748 2.744 2.751 0.051 8 0 "[ . 1]" 2
35 1 68 TYR O 1 72 ALA H . . 1.800 2.010 1.954 2.033 0.233 6 0 "[ . 1]" 2
36 1 68 TYR O 1 72 ALA N . . 2.700 2.918 2.872 2.964 0.264 4 0 "[ . 1]" 2
37 1 67 PRO O 1 71 LYS H . . 1.800 1.803 1.793 1.832 0.032 4 0 "[ . 1]" 2
38 1 67 PRO O 1 71 LYS N . . 2.700 2.755 2.736 2.788 0.088 4 0 "[ . 1]" 2
39 1 66 ALA O 1 70 LYS H . . 1.800 2.033 2.013 2.088 0.288 6 0 "[ . 1]" 2
40 1 66 ALA O 1 70 LYS N . . 2.700 2.968 2.947 3.032 0.332 6 0 "[ . 1]" 2
41 1 65 LYS O 1 69 GLU H . . 1.800 1.810 1.783 1.820 0.020 1 0 "[ . 1]" 2
42 1 65 LYS O 1 69 GLU N . . 2.700 2.737 2.694 2.746 0.046 3 0 "[ . 1]" 2
43 1 64 GLN O 1 68 TYR H . . 1.800 2.066 2.039 2.088 0.288 6 0 "[ . 1]" 2
44 1 64 GLN O 1 68 TYR N . . 2.700 2.973 2.937 3.007 0.307 7 0 "[ . 1]" 2
45 1 62 PRO O 1 66 ALA H . . 1.800 1.970 1.882 2.008 0.208 1 0 "[ . 1]" 2
46 1 62 PRO O 1 66 ALA N . . 2.700 2.842 2.743 2.918 0.218 8 0 "[ . 1]" 2
47 1 55 GLU O 1 59 GLN H . . 1.800 2.011 1.998 2.032 0.232 4 0 "[ . 1]" 2
48 1 55 GLU O 1 59 GLN N . . 2.700 2.877 2.767 2.950 0.250 6 0 "[ . 1]" 2
49 1 54 GLY O 1 58 GLY H . . 1.800 1.939 1.869 1.998 0.198 5 0 "[ . 1]" 2
50 1 54 GLY O 1 58 GLY N . . 2.700 2.907 2.818 2.971 0.271 5 0 "[ . 1]" 2
51 1 53 ILE O 1 57 TRP H . . 1.800 1.996 1.793 2.045 0.245 5 0 "[ . 1]" 2
52 1 53 ILE O 1 57 TRP N . . 2.700 2.879 2.761 3.005 0.305 7 0 "[ . 1]" 2
53 1 52 LEU O 1 56 ALA H . . 1.800 1.908 1.800 2.007 0.207 3 0 "[ . 1]" 2
54 1 52 LEU O 1 56 ALA N . . 2.700 2.839 2.736 2.955 0.255 7 0 "[ . 1]" 2
55 1 51 LYS O 1 55 GLU H . . 1.800 2.002 1.857 2.040 0.240 3 0 "[ . 1]" 2
56 1 51 LYS O 1 55 GLU N . . 2.700 2.948 2.776 3.011 0.311 3 0 "[ . 1]" 2
57 1 50 GLY O 1 54 GLY H . . 1.800 2.059 2.003 2.069 0.269 5 0 "[ . 1]" 2
58 1 50 GLY O 1 54 GLY N . . 2.700 3.023 2.889 3.043 0.343 7 0 "[ . 1]" 2
59 1 49 VAL O 1 53 ILE H . . 1.800 2.122 2.037 2.143 0.343 2 0 "[ . 1]" 2
60 1 49 VAL O 1 53 ILE N . . 2.700 3.058 3.006 3.076 0.376 5 0 "[ . 1]" 2
61 1 48 GLN O 1 52 LEU H . . 1.800 2.145 2.019 2.166 0.366 6 0 "[ . 1]" 2
62 1 48 GLN O 1 52 LEU N . . 2.700 3.053 2.980 3.072 0.372 3 0 "[ . 1]" 2
63 1 47 ALA O 1 51 LYS H . . 1.800 2.049 2.040 2.052 0.252 9 0 "[ . 1]" 2
64 1 47 ALA O 1 51 LYS N . . 2.700 3.001 2.973 3.010 0.310 2 0 "[ . 1]" 2
65 1 46 VAL O 1 50 GLY H . . 1.800 2.026 2.005 2.034 0.234 1 0 "[ . 1]" 2
66 1 46 VAL O 1 50 GLY N . . 2.700 2.954 2.870 2.976 0.276 1 0 "[ . 1]" 2
67 1 45 ASP O 1 49 VAL H . . 1.800 2.072 2.060 2.090 0.290 9 0 "[ . 1]" 2
68 1 45 ASP O 1 49 VAL N . . 2.700 3.008 2.983 3.025 0.325 9 0 "[ . 1]" 2
69 1 34 GLU O 1 38 GLU H . . 1.800 2.020 1.994 2.052 0.252 9 0 "[ . 1]" 2
70 1 34 GLU O 1 38 GLU N . . 2.700 2.969 2.938 3.001 0.301 8 0 "[ . 1]" 2
71 1 33 LEU O 1 37 LYS H . . 1.800 1.993 1.950 2.011 0.211 7 0 "[ . 1]" 2
72 1 33 LEU O 1 37 LYS N . . 2.700 2.818 2.738 2.974 0.274 7 0 "[ . 1]" 2
73 1 32 ARG O 1 36 ILE H . . 1.800 1.986 1.898 2.058 0.258 8 0 "[ . 1]" 2
74 1 32 ARG O 1 36 ILE N . . 2.700 2.848 2.745 2.990 0.290 8 0 "[ . 1]" 2
75 1 31 LYS O 1 35 ILE H . . 1.800 1.928 1.797 2.019 0.219 8 0 "[ . 1]" 2
76 1 31 LYS O 1 35 ILE N . . 2.700 2.877 2.765 2.980 0.280 10 0 "[ . 1]" 2
77 1 30 ASP O 1 34 GLU H . . 1.800 1.998 1.941 2.023 0.223 4 0 "[ . 1]" 2
78 1 30 ASP O 1 34 GLU N . . 2.700 2.928 2.853 2.995 0.295 4 0 "[ . 1]" 2
79 1 29 LYS O 1 33 LEU H . . 1.800 1.934 1.816 2.002 0.202 8 0 "[ . 1]" 2
80 1 29 LYS O 1 33 LEU N . . 2.700 2.859 2.746 2.948 0.248 5 0 "[ . 1]" 2
81 1 28 VAL O 1 32 ARG H . . 1.800 1.918 1.807 2.007 0.207 5 0 "[ . 1]" 2
82 1 28 VAL O 1 32 ARG N . . 2.700 2.867 2.747 2.974 0.274 9 0 "[ . 1]" 2
83 1 27 TYR O 1 31 LYS H . . 1.800 1.894 1.799 2.001 0.201 3 0 "[ . 1]" 2
84 1 27 TYR O 1 31 LYS N . . 2.700 2.855 2.763 2.978 0.278 3 0 "[ . 1]" 2
85 1 26 PHE O 1 30 ASP H . . 1.800 1.978 1.885 2.002 0.202 8 0 "[ . 1]" 2
86 1 26 PHE O 1 30 ASP N . . 2.700 2.882 2.777 2.961 0.261 6 0 "[ . 1]" 2
87 1 25 MET O 1 29 LYS H . . 1.800 1.904 1.812 2.003 0.203 5 0 "[ . 1]" 2
88 1 25 MET O 1 29 LYS N . . 2.700 2.857 2.751 2.959 0.259 5 0 "[ . 1]" 2
stop_
save_
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