NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409054 |
1z8m   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z8m
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 1234
_Distance_constraint_stats_list.Viol_count 2194
_Distance_constraint_stats_list.Viol_total 1025.481
_Distance_constraint_stats_list.Viol_max 0.179
_Distance_constraint_stats_list.Viol_rms 0.0065
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0156
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.169 0.033 8 0 "[ . 1 . 2 . 3]"
1 2 LEU 0.175 0.032 8 0 "[ . 1 . 2 . 3]"
1 3 LYS 0.524 0.031 15 0 "[ . 1 . 2 . 3]"
1 4 LEU 0.332 0.018 8 0 "[ . 1 . 2 . 3]"
1 5 ASN 0.122 0.012 16 0 "[ . 1 . 2 . 3]"
1 6 LEU 0.016 0.008 2 0 "[ . 1 . 2 . 3]"
1 7 LYS 0.022 0.007 27 0 "[ . 1 . 2 . 3]"
1 8 LYS 0.033 0.027 18 0 "[ . 1 . 2 . 3]"
1 9 SER 0.124 0.027 18 0 "[ . 1 . 2 . 3]"
1 10 PHE 0.300 0.035 23 0 "[ . 1 . 2 . 3]"
1 11 GLN 0.096 0.016 2 0 "[ . 1 . 2 . 3]"
1 12 LYS 0.248 0.026 23 0 "[ . 1 . 2 . 3]"
1 13 ASP 1.838 0.092 29 0 "[ . 1 . 2 . 3]"
1 14 PHE 2.791 0.179 25 0 "[ . 1 . 2 . 3]"
1 15 ASP 1.973 0.093 19 0 "[ . 1 . 2 . 3]"
1 16 LYS 2.047 0.092 29 0 "[ . 1 . 2 . 3]"
1 17 LEU 3.328 0.126 22 0 "[ . 1 . 2 . 3]"
1 18 LEU 9.122 0.179 25 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.025 0.010 30 0 "[ . 1 . 2 . 3]"
1 20 ASN 0.036 0.014 18 0 "[ . 1 . 2 . 3]"
1 21 GLY 0.112 0.018 17 0 "[ . 1 . 2 . 3]"
1 22 PHE 2.394 0.058 17 0 "[ . 1 . 2 . 3]"
1 23 ASP 0.001 0.001 5 0 "[ . 1 . 2 . 3]"
1 24 ASP 0.569 0.044 29 0 "[ . 1 . 2 . 3]"
1 25 SER 0.024 0.009 7 0 "[ . 1 . 2 . 3]"
1 26 VAL 0.228 0.017 12 0 "[ . 1 . 2 . 3]"
1 27 LEU 1.748 0.074 5 0 "[ . 1 . 2 . 3]"
1 28 ASN 0.114 0.020 10 0 "[ . 1 . 2 . 3]"
1 29 GLU 0.099 0.012 3 0 "[ . 1 . 2 . 3]"
1 30 VAL 1.416 0.036 24 0 "[ . 1 . 2 . 3]"
1 31 ILE 1.229 0.054 19 0 "[ . 1 . 2 . 3]"
1 32 LEU 1.369 0.076 28 0 "[ . 1 . 2 . 3]"
1 33 THR 1.080 0.069 15 0 "[ . 1 . 2 . 3]"
1 34 LEU 0.393 0.023 23 0 "[ . 1 . 2 . 3]"
1 35 ARG 0.291 0.024 6 0 "[ . 1 . 2 . 3]"
1 36 LYS 3.175 0.126 19 0 "[ . 1 . 2 . 3]"
1 37 LYS 2.104 0.119 20 0 "[ . 1 . 2 . 3]"
1 38 GLU 0.117 0.059 28 0 "[ . 1 . 2 . 3]"
1 39 PRO 0.139 0.020 18 0 "[ . 1 . 2 . 3]"
1 40 LEU 0.172 0.013 29 0 "[ . 1 . 2 . 3]"
1 41 ASP 0.026 0.005 26 0 "[ . 1 . 2 . 3]"
1 42 PRO 0.105 0.013 26 0 "[ . 1 . 2 . 3]"
1 43 GLN 0.013 0.004 6 0 "[ . 1 . 2 . 3]"
1 44 PHE 0.153 0.012 16 0 "[ . 1 . 2 . 3]"
1 45 GLN 0.123 0.013 26 0 "[ . 1 . 2 . 3]"
1 46 ASP 0.108 0.011 27 0 "[ . 1 . 2 . 3]"
1 47 HIS 0.103 0.018 22 0 "[ . 1 . 2 . 3]"
1 48 ALA 0.044 0.018 22 0 "[ . 1 . 2 . 3]"
1 49 LEU 0.040 0.005 20 0 "[ . 1 . 2 . 3]"
1 50 LYS 0.062 0.008 27 0 "[ . 1 . 2 . 3]"
1 51 GLY 1.082 0.100 16 0 "[ . 1 . 2 . 3]"
1 52 LYS 0.467 0.094 21 0 "[ . 1 . 2 . 3]"
1 53 TRP 0.631 0.100 16 0 "[ . 1 . 2 . 3]"
1 54 LYS 0.846 0.041 15 0 "[ . 1 . 2 . 3]"
1 55 PRO 0.021 0.007 19 0 "[ . 1 . 2 . 3]"
1 56 PHE 0.973 0.041 15 0 "[ . 1 . 2 . 3]"
1 57 ARG 0.196 0.013 29 0 "[ . 1 . 2 . 3]"
1 58 GLU 0.088 0.009 13 0 "[ . 1 . 2 . 3]"
1 59 CYS 0.070 0.021 29 0 "[ . 1 . 2 . 3]"
1 60 HIS 0.241 0.015 13 0 "[ . 1 . 2 . 3]"
1 61 ILE 1.216 0.046 23 0 "[ . 1 . 2 . 3]"
1 62 LYS 0.183 0.056 23 0 "[ . 1 . 2 . 3]"
1 63 PRO 2.474 0.114 5 0 "[ . 1 . 2 . 3]"
1 64 ASP 2.499 0.114 5 0 "[ . 1 . 2 . 3]"
1 65 VAL 1.342 0.056 23 0 "[ . 1 . 2 . 3]"
1 66 LEU 1.465 0.042 3 0 "[ . 1 . 2 . 3]"
1 67 LEU 1.495 0.049 18 0 "[ . 1 . 2 . 3]"
1 68 VAL 0.705 0.054 4 0 "[ . 1 . 2 . 3]"
1 69 TYR 1.032 0.054 4 0 "[ . 1 . 2 . 3]"
1 70 LEU 0.180 0.009 10 0 "[ . 1 . 2 . 3]"
1 71 VAL 0.359 0.093 5 0 "[ . 1 . 2 . 3]"
1 72 LYS 0.463 0.093 5 0 "[ . 1 . 2 . 3]"
1 73 ASP 0.166 0.031 4 0 "[ . 1 . 2 . 3]"
1 74 ASP 0.123 0.031 4 0 "[ . 1 . 2 . 3]"
1 75 GLU 0.333 0.026 8 0 "[ . 1 . 2 . 3]"
1 76 LEU 0.306 0.013 13 0 "[ . 1 . 2 . 3]"
1 77 ILE 0.601 0.015 1 0 "[ . 1 . 2 . 3]"
1 78 LEU 0.284 0.015 5 0 "[ . 1 . 2 . 3]"
1 79 LEU 0.188 0.010 1 0 "[ . 1 . 2 . 3]"
1 80 ARG 0.976 0.052 11 0 "[ . 1 . 2 . 3]"
1 81 LEU 0.490 0.052 11 0 "[ . 1 . 2 . 3]"
1 82 GLY 0.229 0.021 15 0 "[ . 1 . 2 . 3]"
1 83 SER 0.335 0.084 15 0 "[ . 1 . 2 . 3]"
1 84 HIS 0.283 0.084 15 0 "[ . 1 . 2 . 3]"
1 85 SER 0.081 0.028 15 0 "[ . 1 . 2 . 3]"
1 86 GLU 0.208 0.016 15 0 "[ . 1 . 2 . 3]"
1 87 LEU 0.063 0.011 18 0 "[ . 1 . 2 . 3]"
1 88 PHE 0.163 0.025 19 0 "[ . 1 . 2 . 3]"
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 66 LEU H 1 82 GLY H 2.545 . 3.290 3.161 2.816 3.299 0.009 3 0 "[ . 1 . 2 . 3]" 1
2 1 65 VAL HA 1 66 LEU H 2.225 . 2.650 2.237 2.178 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 66 LEU H 1 66 LEU HB2 2.755 . 3.710 3.274 2.965 3.734 0.024 21 0 "[ . 1 . 2 . 3]" 1
4 1 66 LEU H 1 66 LEU HB3 2.975 . 4.150 3.930 3.808 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 65 VAL MG2 1 66 LEU H 2.830 . 3.860 3.883 3.788 3.902 0.042 3 0 "[ . 1 . 2 . 3]" 1
6 1 72 LYS H 1 75 GLU H 3.245 . 4.690 3.583 3.239 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 71 VAL HA 1 72 LYS H 2.215 . 2.630 2.187 2.140 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 71 VAL HB 1 72 LYS H 3.650 . 5.500 4.236 3.804 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 72 LYS H 1 72 LYS HB3 2.670 . 3.540 3.084 2.795 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 72 LYS H 1 72 LYS QG 3.180 . 4.560 3.959 3.529 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 76 LEU HA 1 77 ILE H 2.215 . 2.630 2.230 2.165 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 77 ILE H 1 77 ILE QG 2.505 . 3.210 2.145 2.035 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 77 ILE H 1 77 ILE MG 2.375 . 2.950 2.889 2.780 2.965 0.015 1 0 "[ . 1 . 2 . 3]" 1
14 1 4 LEU HA 1 5 ASN H 2.210 . 2.620 2.260 2.184 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 5 ASN H 1 5 ASN HB2 2.480 . 3.160 2.765 2.586 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 5 ASN H 1 5 ASN HB3 2.780 . 3.760 3.188 3.033 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 4 LEU HB3 1 5 ASN H 3.000 . 4.200 3.831 3.499 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 LEU HG 1 5 ASN H 3.065 . 4.330 2.106 1.983 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 LEU HB2 1 5 ASN H 3.000 . 4.200 4.033 3.887 4.201 0.001 29 0 "[ . 1 . 2 . 3]" 1
20 1 5 ASN H 1 78 LEU HB2 3.260 . 4.720 4.314 3.890 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 LEU MD1 1 5 ASN H 3.045 . 4.290 3.658 3.011 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 4 LEU MD2 1 5 ASN H 3.045 . 4.290 3.041 2.365 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 73 ASP H 1 74 ASP H 3.275 . 4.750 3.606 2.868 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 72 LYS HA 1 73 ASP H 2.220 . 2.640 2.441 2.334 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 73 ASP H 1 73 ASP HA 2.370 . 2.940 2.750 2.634 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 73 ASP H 1 73 ASP QB 2.465 . 3.130 2.385 2.063 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 72 LYS HB2 1 73 ASP H 2.990 . 4.180 3.978 3.759 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 72 LYS HB3 1 73 ASP H 2.750 . 3.700 2.938 2.625 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 72 LYS QG 1 73 ASP H 2.725 . 3.650 2.330 1.967 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 52 LYS H 1 53 TRP H 3.650 . 5.500 2.674 2.106 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 52 LYS H 1 52 LYS QB 2.600 . 3.400 2.404 2.047 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 68 VAL H 1 80 ARG H 2.615 . 3.430 2.910 2.630 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 67 LEU HA 1 68 VAL H 2.275 . 2.750 2.161 2.134 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 68 VAL H 1 68 VAL HB 2.465 . 3.130 2.565 2.473 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 67 LEU HG 1 68 VAL H 3.110 . 4.420 3.962 3.402 4.431 0.011 18 0 "[ . 1 . 2 . 3]" 1
36 1 68 VAL H 1 68 VAL MG1 2.865 . 3.930 3.813 3.782 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 68 VAL H 1 68 VAL MG2 2.535 . 3.270 2.495 2.196 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 70 LEU HA 1 71 VAL H 2.245 . 2.690 2.395 2.163 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 71 VAL H 1 71 VAL HB 2.355 . 2.910 2.711 2.623 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 70 LEU HG 1 71 VAL H 2.945 . 4.090 2.495 1.977 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 69 TYR H 1 69 TYR QD 2.485 . 3.170 2.889 1.954 3.186 0.016 7 0 "[ . 1 . 2 . 3]" 1
42 1 58 GLU HA 1 69 TYR H 3.290 . 4.780 3.661 3.289 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 68 VAL HA 1 69 TYR H 2.235 . 2.670 2.188 2.131 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 68 VAL MG1 1 69 TYR H 2.460 . 3.120 2.309 2.012 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 68 VAL MG2 1 69 TYR H 2.895 . 3.990 3.999 3.888 4.044 0.054 4 0 "[ . 1 . 2 . 3]" 1
46 1 77 ILE HA 1 78 LEU H 2.235 . 2.670 2.172 2.149 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 5 ASN HB2 1 78 LEU H 3.650 . 5.500 3.669 3.417 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 77 ILE MD 1 78 LEU H 2.745 . 3.690 3.646 3.277 3.699 0.009 9 0 "[ . 1 . 2 . 3]" 1
49 1 78 LEU H 1 79 LEU H 3.650 . 5.500 4.559 4.420 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 6 LEU HA 1 78 LEU H 3.035 . 4.270 3.525 3.109 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 LEU HG 1 78 LEU H 2.755 . 3.710 3.714 3.709 3.725 0.015 5 0 "[ . 1 . 2 . 3]" 1
52 1 78 LEU H 1 78 LEU HB2 2.460 . 3.120 2.472 2.361 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 6 LEU H 1 78 LEU H 3.650 . 5.500 4.275 4.095 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 7 LYS HA 1 8 LYS H 2.675 . 3.550 2.482 2.358 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 7 LYS QB 1 8 LYS H 2.920 . 4.040 2.269 1.975 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 ASN HA 1 6 LEU H 2.270 . 2.740 2.550 2.328 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 6 LEU H 1 6 LEU HB2 2.415 . 3.030 2.757 2.585 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 6 LEU H 1 6 LEU HG 2.885 . 3.970 3.555 2.981 3.971 0.001 19 0 "[ . 1 . 2 . 3]" 1
59 1 10 PHE H 1 13 ASP H 3.650 . 5.500 4.678 4.513 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 6 LEU H 1 6 LEU HB3 2.910 . 4.020 3.827 3.679 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 10 PHE H 1 11 GLN H 2.405 . 3.010 2.553 2.336 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 10 PHE H 1 10 PHE HB2 2.400 . 3.000 2.447 2.312 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 10 PHE H 1 10 PHE HB3 2.460 . 3.120 2.651 2.490 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 24 ASP H 1 27 LEU H 3.650 . 5.500 5.156 4.777 5.504 0.004 30 0 "[ . 1 . 2 . 3]" 1
65 1 80 ARG HA 1 81 LEU H 2.415 . 3.030 2.450 2.302 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 80 ARG HB2 1 81 LEU H 2.615 . 3.430 2.368 2.072 3.482 0.052 11 0 "[ . 1 . 2 . 3]" 1
67 1 81 LEU H 1 81 LEU QB 2.415 . 3.030 2.488 2.383 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 81 LEU H 1 87 LEU QD 3.580 . 5.360 4.963 4.247 5.361 0.001 28 0 "[ . 1 . 2 . 3]" 1
69 1 61 ILE H 1 62 LYS H 2.340 . 2.880 2.664 2.404 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 61 ILE H 1 61 ILE HB 2.415 . 3.030 2.601 2.464 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 75 GLU HA 1 76 LEU H 2.265 . 2.730 2.317 2.153 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 2 LEU QB 1 76 LEU H 2.530 . 3.260 3.183 2.894 3.270 0.010 15 0 "[ . 1 . 2 . 3]" 1
73 1 23 ASP HA 1 24 ASP H 2.440 . 3.080 2.169 2.135 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 24 ASP H 1 24 ASP HB2 2.950 . 4.100 3.603 3.580 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 24 ASP H 1 24 ASP HB3 2.530 . 3.260 2.681 2.479 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 6 LEU HA 1 7 LYS H 2.265 . 2.730 2.163 2.138 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 7 LYS H 1 7 LYS QB 2.390 . 2.980 2.323 2.155 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 7 LYS H 1 7 LYS QG 2.560 . 3.320 2.975 2.490 3.321 0.001 19 0 "[ . 1 . 2 . 3]" 1
79 1 3 LYS H 1 76 LEU H 3.650 . 5.500 3.107 2.369 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 2 LEU HA 1 3 LYS H 2.355 . 2.910 2.450 2.186 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 3 LYS H 1 3 LYS QB 2.320 . 2.840 2.167 2.046 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 3 LYS HA 1 4 LEU H 2.200 . 2.600 2.305 2.196 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 3 LYS QB 1 4 LEU H 2.580 . 3.360 3.270 2.673 3.368 0.008 3 0 "[ . 1 . 2 . 3]" 1
84 1 4 LEU H 1 4 LEU HB3 2.470 . 3.140 2.674 2.557 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 4 LEU H 1 4 LEU HG 3.650 . 5.500 4.569 4.506 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 4 LEU H 1 4 LEU HB2 2.470 . 3.140 2.993 2.721 3.143 0.003 18 0 "[ . 1 . 2 . 3]" 1
87 1 4 LEU H 1 4 LEU MD2 3.555 . 5.310 4.156 3.880 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 30 VAL H 1 31 ILE H 2.570 . 3.340 2.570 2.294 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 27 LEU HA 1 30 VAL H 2.800 . 3.800 3.287 2.990 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 29 GLU QB 1 30 VAL H 2.575 . 3.350 2.799 2.485 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 30 VAL H 1 30 VAL HB 2.380 . 2.960 2.639 2.389 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 30 VAL H 1 31 ILE HB 3.305 . 4.810 4.370 4.177 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 30 VAL H 1 32 LEU QB 3.635 . 5.470 4.737 4.098 5.458 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 30 VAL H 1 31 ILE MG 3.650 . 5.500 5.409 5.190 5.512 0.012 2 0 "[ . 1 . 2 . 3]" 1
95 1 30 VAL H 1 30 VAL MG1 2.845 . 3.890 2.683 1.917 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 30 VAL H 1 30 VAL MG2 2.845 . 3.890 3.254 2.276 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 40 LEU HB2 1 41 ASP H 3.340 . 4.880 3.985 3.053 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 1 MET HA 1 2 LEU H 2.510 . 3.220 2.578 2.143 3.252 0.032 8 0 "[ . 1 . 2 . 3]" 1
99 1 1 MET QB 1 2 LEU H 2.700 . 3.600 3.018 1.940 3.615 0.015 27 0 "[ . 1 . 2 . 3]" 1
100 1 2 LEU H 1 2 LEU HG 2.360 . 2.920 2.664 1.957 2.923 0.003 15 0 "[ . 1 . 2 . 3]" 1
101 1 2 LEU H 1 2 LEU QB 2.665 . 3.530 2.876 2.240 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 3 LYS H 1 75 GLU HA 2.600 . 3.400 2.430 2.019 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 2 LEU QB 1 3 LYS H 2.410 . 3.020 2.328 1.952 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 26 VAL H 1 26 VAL HA 2.350 . 2.900 2.855 2.744 2.905 0.005 28 0 "[ . 1 . 2 . 3]" 1
105 1 26 VAL H 1 26 VAL HB 2.375 . 2.950 2.616 2.462 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 40 LEU HA 1 41 ASP H 2.225 . 2.650 2.234 2.136 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 41 ASP H 1 41 ASP QB 2.215 . 2.630 2.315 2.137 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 47 HIS HA 1 48 ALA H 2.300 . 2.800 2.593 2.502 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 47 HIS HB2 1 48 ALA H 2.685 . 3.570 2.936 1.991 3.588 0.018 22 0 "[ . 1 . 2 . 3]" 1
110 1 48 ALA H 1 48 ALA MB 2.250 . 2.700 2.195 2.105 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 79 LEU H 1 79 LEU HB3 2.630 . 3.460 3.191 3.050 3.465 0.005 5 0 "[ . 1 . 2 . 3]" 1
112 1 78 LEU HB2 1 79 LEU H 3.650 . 5.500 4.050 3.779 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 48 ALA H 1 58 GLU H 3.615 . 5.430 4.750 4.546 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 66 LEU HA 1 67 LEU H 2.285 . 2.770 2.188 2.141 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 67 LEU H 1 67 LEU HB3 2.355 . 2.910 2.398 2.231 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 61 ILE MD 1 67 LEU H 3.180 . 4.560 2.387 1.918 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 69 TYR HA 1 79 LEU H 2.570 . 3.340 2.099 1.955 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 78 LEU HA 1 79 LEU H 2.250 . 2.700 2.207 2.143 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 79 LEU H 1 79 LEU HB2 2.340 . 2.880 2.257 2.105 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 78 LEU QD 1 79 LEU H 2.850 . 3.900 3.406 3.108 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 78 LEU HB3 1 79 LEU H 3.250 . 4.700 3.063 2.551 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 20 ASN H 1 22 PHE H 3.370 . 4.940 3.333 2.838 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 22 PHE H 1 22 PHE QD 3.030 . 4.260 4.200 4.105 4.291 0.031 19 0 "[ . 1 . 2 . 3]" 1
124 1 18 LEU HA 1 22 PHE H 2.820 . 3.840 3.174 2.354 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 22 PHE H 1 22 PHE HB3 2.410 . 3.020 2.574 2.409 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 22 PHE H 1 22 PHE HB2 2.410 . 3.020 3.009 2.896 3.049 0.029 2 0 "[ . 1 . 2 . 3]" 1
127 1 29 GLU H 1 30 VAL H 2.315 . 2.830 2.499 2.278 2.838 0.008 9 0 "[ . 1 . 2 . 3]" 1
128 1 29 GLU H 1 29 GLU QG 2.425 . 3.050 2.684 2.302 3.052 0.002 22 0 "[ . 1 . 2 . 3]" 1
129 1 29 GLU H 1 29 GLU QB 2.295 . 2.790 2.309 2.122 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 10 PHE HA 1 13 ASP H 2.805 . 3.810 3.285 3.051 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 56 PHE H 1 56 PHE QD 2.765 . 3.730 3.055 2.148 3.737 0.007 18 0 "[ . 1 . 2 . 3]" 1
132 1 55 PRO HA 1 56 PHE H 2.630 . 3.460 3.176 2.745 3.467 0.007 19 0 "[ . 1 . 2 . 3]" 1
133 1 54 LYS HA 1 56 PHE H 2.770 . 3.740 3.766 3.742 3.781 0.041 15 0 "[ . 1 . 2 . 3]" 1
134 1 56 PHE H 1 56 PHE HB2 2.380 . 2.960 2.696 2.421 2.970 0.010 1 0 "[ . 1 . 2 . 3]" 1
135 1 16 LYS H 1 18 LEU H 3.650 . 5.500 4.161 3.895 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 18 LEU H 1 20 ASN H 3.650 . 5.500 3.997 3.835 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 15 ASP HA 1 18 LEU H 3.245 . 4.690 3.560 3.224 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 18 LEU H 1 18 LEU HB2 2.410 . 3.020 2.503 2.215 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 39 PRO HA 1 40 LEU H 2.165 . 2.530 2.302 2.163 2.541 0.011 27 0 "[ . 1 . 2 . 3]" 1
140 1 40 LEU H 1 40 LEU HB2 2.330 . 2.860 2.545 2.285 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 40 LEU H 1 40 LEU MD1 3.585 . 5.370 3.239 2.074 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 14 PHE H 1 18 LEU H 3.650 . 5.500 5.578 5.528 5.679 0.179 25 0 "[ . 1 . 2 . 3]" 1
143 1 14 PHE H 1 14 PHE HB2 2.555 . 3.310 2.734 2.234 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 14 PHE H 1 14 PHE HB3 2.370 . 2.940 2.492 2.303 3.017 0.077 7 0 "[ . 1 . 2 . 3]" 1
145 1 13 ASP H 1 14 PHE H 2.455 . 3.110 2.311 2.208 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 14 PHE H 1 81 LEU QB 3.650 . 5.500 4.471 3.760 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 49 LEU H 1 57 ARG HA 2.625 . 3.450 3.221 2.800 3.453 0.003 1 0 "[ . 1 . 2 . 3]" 1
148 1 48 ALA HA 1 49 LEU H 2.260 . 2.720 2.237 2.142 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 49 LEU H 1 49 LEU HB2 2.415 . 3.030 2.482 2.178 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 48 ALA MB 1 49 LEU H 2.565 . 3.330 2.860 2.116 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 49 LEU H 1 49 LEU HB3 2.765 . 3.730 3.598 3.472 3.731 0.001 12 0 "[ . 1 . 2 . 3]" 1
152 1 45 GLN HA 1 46 ASP H 2.525 . 3.250 2.763 2.304 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 46 ASP H 1 46 ASP QB 2.250 . 2.700 2.671 2.540 2.711 0.011 27 0 "[ . 1 . 2 . 3]" 1
154 1 45 GLN QG 1 46 ASP H 3.650 . 5.500 4.578 4.371 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 27 LEU H 1 28 ASN H 2.575 . 3.350 2.673 2.498 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 26 VAL QG 1 27 LEU H 2.555 . 3.310 2.991 2.005 3.327 0.017 12 0 "[ . 1 . 2 . 3]" 1
157 1 27 LEU H 1 27 LEU HB3 2.305 . 2.810 2.223 2.102 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 17 LEU H 1 18 LEU H 2.440 . 3.080 2.393 2.188 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 16 LYS H 1 17 LEU H 2.425 . 3.050 2.524 2.301 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 17 LEU H 1 17 LEU HA 2.350 . 2.900 2.874 2.743 2.915 0.015 25 0 "[ . 1 . 2 . 3]" 1
161 1 16 LYS QB 1 17 LEU H 2.485 . 3.170 3.037 2.555 3.203 0.033 22 0 "[ . 1 . 2 . 3]" 1
162 1 17 LEU H 1 17 LEU HB3 2.605 . 3.410 2.678 2.270 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 17 LEU H 1 17 LEU HB2 2.605 . 3.410 2.525 2.093 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 17 LEU H 1 17 LEU MD2 3.335 . 4.870 4.226 4.084 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 53 TRP H 1 54 LYS H 2.410 . 3.020 2.927 2.758 3.028 0.008 7 0 "[ . 1 . 2 . 3]" 1
166 1 51 GLY HA3 1 54 LYS H 3.650 . 5.500 5.243 4.691 5.501 0.001 16 0 "[ . 1 . 2 . 3]" 1
167 1 53 TRP HB2 1 54 LYS H 3.355 . 4.910 4.154 4.004 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 54 LYS H 1 54 LYS QB 2.195 . 2.590 2.103 2.049 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 46 ASP HA 1 47 HIS H 2.225 . 2.650 2.248 2.140 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 47 HIS H 1 59 CYS H 3.650 . 5.500 5.246 4.834 5.507 0.007 18 0 "[ . 1 . 2 . 3]" 1
171 1 69 TYR H 1 70 LEU H 3.650 . 5.500 4.406 4.362 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 59 CYS HA 1 60 HIS H 2.380 . 2.960 2.153 2.138 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 44 PHE HA 1 60 HIS H 3.440 . 5.080 4.473 3.614 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 59 CYS QB 1 60 HIS H 2.965 . 4.130 3.799 3.534 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 60 HIS H 1 60 HIS QB 2.275 . 2.750 2.520 2.386 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 83 SER HA 1 84 HIS H 2.350 . 2.900 2.534 2.260 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 66 LEU MD1 1 84 HIS H 3.325 . 4.850 3.188 2.466 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 70 LEU H 1 77 ILE H 2.720 . 3.640 3.182 2.745 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 69 TYR QD 1 70 LEU H 2.840 . 3.880 3.317 2.829 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 69 TYR HA 1 70 LEU H 2.340 . 2.880 2.399 2.252 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 69 TYR HB3 1 70 LEU H 2.915 . 4.030 3.796 3.469 4.034 0.004 18 0 "[ . 1 . 2 . 3]" 1
182 1 70 LEU H 1 70 LEU HB3 2.555 . 3.310 3.042 2.850 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 47 HIS H 1 58 GLU QB 2.730 . 3.660 3.409 2.905 3.668 0.008 1 0 "[ . 1 . 2 . 3]" 1
184 1 70 LEU H 1 70 LEU HB2 2.790 . 3.780 2.519 2.347 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 70 LEU H 1 70 LEU QD 2.885 . 3.970 3.669 3.486 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 70 LEU H 1 78 LEU QD 3.200 . 4.600 4.496 4.243 4.604 0.004 13 0 "[ . 1 . 2 . 3]" 1
187 1 18 LEU H 1 19 LEU H 2.460 . 3.120 2.752 2.583 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 18 LEU HB2 1 19 LEU H 2.435 . 3.070 2.765 2.330 3.080 0.010 30 0 "[ . 1 . 2 . 3]" 1
189 1 19 LEU H 1 19 LEU QD 2.755 . 3.710 3.157 2.758 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 56 PHE H 1 57 ARG H 3.650 . 5.500 4.453 4.367 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 56 PHE HA 1 57 ARG H 2.270 . 2.740 2.537 2.448 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 56 PHE HB2 1 57 ARG H 2.590 . 3.380 3.312 2.862 3.391 0.011 22 0 "[ . 1 . 2 . 3]" 1
193 1 56 PHE HB3 1 57 ARG H 2.445 . 3.090 2.187 1.986 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 57 ARG H 1 57 ARG HB2 2.715 . 3.630 3.083 2.870 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 57 ARG H 1 68 VAL MG1 3.210 . 4.620 2.648 2.233 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 57 ARG H 1 68 VAL MG2 3.545 . 5.290 4.807 4.373 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 57 ARG H 1 70 LEU QD 3.650 . 5.500 3.409 2.565 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 57 ARG H 1 57 ARG HB3 2.735 . 3.670 2.795 2.587 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 57 ARG H 1 70 LEU H 3.650 . 5.500 5.324 4.886 5.503 0.003 25 0 "[ . 1 . 2 . 3]" 1
200 1 33 THR HB 1 34 LEU H 2.515 . 3.230 2.904 2.571 3.066 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 34 LEU H 1 34 LEU HB2 2.370 . 2.940 2.544 2.429 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 34 LEU H 1 34 LEU HG 2.310 . 2.820 2.331 2.092 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 34 LEU H 1 35 ARG HG3 3.295 . 4.790 4.197 3.861 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 34 LEU H 1 34 LEU HB3 2.755 . 3.710 3.625 3.579 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 34 LEU H 1 34 LEU MD2 2.840 . 3.880 3.422 2.797 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 8 LYS HA 1 11 GLN H 3.085 . 4.370 3.477 3.186 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 11 GLN H 1 11 GLN QG 2.425 . 3.050 2.459 1.984 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 11 GLN H 1 11 GLN QB 2.355 . 2.910 2.324 2.181 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 29 GLU HA 1 32 LEU H 3.180 . 4.560 4.193 3.687 4.572 0.012 3 0 "[ . 1 . 2 . 3]" 1
210 1 32 LEU H 1 32 LEU QB 2.150 . 2.500 2.122 2.037 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 31 ILE MG 1 32 LEU H 2.575 . 3.350 2.845 2.356 3.353 0.003 2 0 "[ . 1 . 2 . 3]" 1
212 1 49 LEU HA 1 50 LYS H 2.350 . 2.900 2.611 2.359 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 50 LYS H 1 53 TRP HB2 3.010 . 4.220 3.796 3.368 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 49 LEU HB3 1 50 LYS H 2.435 . 3.070 2.072 1.970 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 50 LYS H 1 50 LYS QG 2.540 . 3.280 2.734 1.964 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 38 GLU H 1 38 GLU QB 2.200 . 2.600 2.248 2.048 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 33 THR MG 1 38 GLU H 3.120 . 4.440 3.885 1.966 4.447 0.007 20 0 "[ . 1 . 2 . 3]" 1
218 1 50 LYS H 1 51 GLY H 3.590 . 5.380 4.475 4.379 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 15 ASP HB3 1 16 LYS H 3.115 . 4.430 2.990 2.352 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 15 ASP HB2 1 16 LYS H 3.115 . 4.430 3.397 2.451 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 16 LYS H 1 16 LYS QB 2.215 . 2.630 2.150 2.046 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 LYS H 1 16 LYS QG 3.105 . 4.410 3.730 2.892 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 13 ASP H 1 16 LYS H 3.155 . 4.510 4.570 4.516 4.602 0.092 29 0 "[ . 1 . 2 . 3]" 1
224 1 14 PHE H 1 15 ASP H 2.555 . 3.310 2.642 2.252 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 15 ASP H 1 16 LYS H 2.450 . 3.100 2.495 2.316 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 14 PHE HB3 1 15 ASP H 2.640 . 3.480 2.097 1.922 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 15 ASP H 1 15 ASP HB3 2.745 . 3.690 3.094 2.530 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 86 GLU H 1 87 LEU H 2.485 . 3.170 2.795 2.395 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 86 GLU HB3 1 87 LEU H 2.955 . 4.110 2.285 1.974 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 15 ASP H 1 18 LEU H 3.280 . 4.760 4.780 4.575 4.853 0.093 19 0 "[ . 1 . 2 . 3]" 1
231 1 43 GLN H 1 44 PHE H 2.535 . 3.270 2.624 2.570 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 42 PRO QD 1 43 GLN H 3.025 . 4.250 2.760 2.637 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 41 ASP QB 1 43 GLN H 2.645 . 3.490 2.366 2.194 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 42 PRO QG 1 43 GLN H 3.100 . 4.400 2.786 2.327 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 43 GLN H 1 43 GLN HB3 2.760 . 3.720 3.117 2.522 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 43 GLN H 1 43 GLN HG2 2.710 . 3.620 2.704 2.189 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 31 ILE H 1 32 LEU H 2.465 . 3.130 2.769 2.432 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 28 ASN HA 1 31 ILE H 3.065 . 4.330 3.905 3.422 4.333 0.003 26 0 "[ . 1 . 2 . 3]" 1
239 1 31 ILE H 1 31 ILE HB 2.180 . 2.560 2.211 2.107 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 27 LEU QD 1 31 ILE H 3.650 . 5.500 3.320 2.508 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 73 ASP QB 1 74 ASP H 2.690 . 3.580 3.101 2.347 3.611 0.031 4 0 "[ . 1 . 2 . 3]" 1
242 1 74 ASP H 1 74 ASP QB 2.810 . 3.820 2.945 2.424 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 86 GLU HB2 1 87 LEU H 2.955 . 4.110 2.728 1.980 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 87 LEU H 1 87 LEU HG 2.565 . 3.330 2.376 1.980 3.341 0.011 18 0 "[ . 1 . 2 . 3]" 1
245 1 87 LEU H 1 87 LEU HB2 2.375 . 2.950 2.575 2.315 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 87 LEU H 1 87 LEU HB3 2.765 . 3.730 3.583 3.551 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 74 ASP H 1 75 GLU H 2.410 . 3.020 2.388 1.962 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 74 ASP HA 1 75 GLU H 2.660 . 3.520 2.969 2.833 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 73 ASP QB 1 75 GLU H 3.240 . 4.680 4.494 4.208 4.706 0.026 8 0 "[ . 1 . 2 . 3]" 1
250 1 74 ASP QB 1 75 GLU H 3.325 . 4.850 3.787 3.682 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 35 ARG QB 1 36 LYS H 2.785 . 3.770 3.473 2.207 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 36 LYS H 1 36 LYS HB3 2.945 . 4.090 3.351 2.319 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 36 LYS H 1 36 LYS HB2 2.945 . 4.090 2.571 2.134 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 36 LYS H 1 36 LYS QG 3.125 . 4.450 3.301 2.146 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 34 LEU H 1 35 ARG H 2.525 . 3.250 2.418 2.281 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 35 ARG H 1 36 LYS H 2.730 . 3.660 2.689 2.449 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 35 ARG H 1 35 ARG HG2 2.500 . 3.200 3.089 2.387 3.224 0.024 6 0 "[ . 1 . 2 . 3]" 1
258 1 35 ARG H 1 35 ARG QB 2.560 . 3.320 2.552 2.395 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 34 LEU HB2 1 35 ARG H 2.490 . 3.180 2.686 1.998 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 34 LEU HG 1 35 ARG H 3.375 . 4.950 4.227 3.827 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 47 HIS H 1 58 GLU H 2.930 . 4.060 3.381 2.523 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 57 ARG HA 1 58 GLU H 2.410 . 3.020 2.218 2.149 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 58 GLU H 1 58 GLU QB 2.475 . 3.150 2.346 2.233 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 57 ARG HB3 1 58 GLU H 3.225 . 4.650 3.915 3.505 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 9 SER H 1 12 LYS H 3.510 . 5.220 5.030 4.815 5.228 0.008 26 0 "[ . 1 . 2 . 3]" 1
266 1 11 GLN QB 1 12 LYS H 2.375 . 2.950 2.609 2.368 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 12 LYS H 1 12 LYS QB 2.255 . 2.710 2.515 2.166 2.715 0.005 28 0 "[ . 1 . 2 . 3]" 1
268 1 50 LYS HA 1 53 TRP H 3.650 . 5.500 4.875 4.544 5.129 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 51 GLY HA3 1 53 TRP H 2.835 . 3.870 3.566 3.245 3.970 0.100 16 0 "[ . 1 . 2 . 3]" 1
270 1 53 TRP H 1 53 TRP HB3 2.765 . 3.730 3.675 3.605 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 53 TRP H 1 53 TRP HB2 2.395 . 2.990 2.593 2.353 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 53 TRP H 1 56 PHE QD 3.650 . 5.500 4.817 4.591 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 12 LYS H 1 13 ASP H 2.490 . 3.180 2.400 2.262 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 11 GLN QG 1 12 LYS H 3.295 . 4.790 4.197 3.937 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 52 LYS QB 1 53 TRP H 2.565 . 3.330 2.953 2.482 3.334 0.004 25 0 "[ . 1 . 2 . 3]" 1
276 1 58 GLU HA 1 59 CYS H 2.275 . 2.750 2.464 2.332 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 58 GLU QG 1 59 CYS H 2.415 . 3.030 2.018 1.958 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 59 CYS H 1 66 LEU HB3 3.345 . 4.890 3.882 3.467 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 59 CYS H 1 68 VAL MG2 3.650 . 5.500 3.860 3.373 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 66 LEU MD2 1 83 SER H 3.650 . 5.500 5.371 4.826 5.523 0.023 13 0 "[ . 1 . 2 . 3]" 1
281 1 83 SER H 1 87 LEU QD 3.650 . 5.500 2.961 2.013 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 25 SER H 1 26 VAL H 2.715 . 3.630 2.683 2.283 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 25 SER H 1 25 SER QB 2.240 . 2.680 2.284 2.105 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 23 ASP QB 1 25 SER H 3.650 . 5.500 3.525 2.838 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 24 ASP HB3 1 25 SER H 3.650 . 5.500 4.166 3.984 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 25 SER H 1 26 VAL QG 3.355 . 4.910 3.864 3.537 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 45 GLN H 1 46 ASP H 2.690 . 3.580 2.721 2.601 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 44 PHE H 1 45 GLN H 2.375 . 2.950 2.593 2.181 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 42 PRO HA 1 45 GLN H 3.280 . 4.760 4.454 3.701 4.773 0.013 26 0 "[ . 1 . 2 . 3]" 1
290 1 45 GLN H 1 45 GLN HA 2.205 . 2.610 2.272 2.269 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 45 GLN H 1 45 GLN QG 2.425 . 3.050 2.759 2.535 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 45 GLN H 1 45 GLN QB 2.715 . 3.630 3.365 3.227 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 82 GLY HA2 1 83 SER H 2.290 . 2.780 2.645 2.397 2.788 0.008 15 0 "[ . 1 . 2 . 3]" 1
294 1 83 SER H 1 86 GLU QG 3.635 . 5.470 3.509 1.952 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 62 LYS H 1 65 VAL H 2.935 . 4.070 3.379 3.173 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 60 HIS HA 1 62 LYS H 3.005 . 4.210 3.451 3.224 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 62 LYS H 1 65 VAL HB 2.430 . 3.060 2.307 1.945 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 62 LYS H 1 62 LYS QB 2.655 . 3.510 2.766 2.288 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 61 ILE MD 1 62 LYS H 3.650 . 5.500 3.675 3.214 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 62 LYS H 1 65 VAL MG2 3.650 . 5.500 3.709 3.419 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 32 LEU H 1 33 THR H 2.575 . 3.350 2.745 2.409 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 33 THR H 1 33 THR HB 2.310 . 2.820 2.493 2.428 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 31 ILE MG 1 33 THR H 3.650 . 5.500 4.556 4.166 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 33 THR H 1 34 LEU H 2.360 . 2.920 2.461 2.247 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 44 PHE H 1 44 PHE HB3 2.725 . 3.650 3.555 3.495 3.658 0.008 30 0 "[ . 1 . 2 . 3]" 1
306 1 44 PHE H 1 44 PHE HB2 2.390 . 2.980 2.295 2.223 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 33 THR H 1 36 LYS QG 3.650 . 5.500 4.709 3.448 5.510 0.010 16 0 "[ . 1 . 2 . 3]" 1
308 1 20 ASN H 1 21 GLY H 2.425 . 3.050 2.783 2.188 3.053 0.003 27 0 "[ . 1 . 2 . 3]" 1
309 1 19 LEU H 1 20 ASN H 2.470 . 3.140 2.514 2.275 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 17 LEU HA 1 20 ASN H 2.940 . 4.080 3.330 3.076 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 18 LEU HA 1 20 ASN H 3.165 . 4.530 3.946 3.492 4.535 0.005 25 0 "[ . 1 . 2 . 3]" 1
312 1 20 ASN H 1 20 ASN HB3 2.575 . 3.350 2.946 2.539 3.364 0.014 18 0 "[ . 1 . 2 . 3]" 1
313 1 20 ASN H 1 20 ASN HB2 2.575 . 3.350 2.454 2.077 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 19 LEU HB3 1 20 ASN H 3.300 . 4.800 4.070 3.158 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 20 ASN H 1 20 ASN HD21 3.235 . 4.670 4.398 3.343 4.673 0.003 16 0 "[ . 1 . 2 . 3]" 1
316 1 28 ASN H 1 29 GLU H 2.435 . 3.070 2.736 2.595 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 28 ASN H 1 28 ASN HB2 2.405 . 3.010 2.170 2.065 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 27 LEU HB3 1 28 ASN H 2.775 . 3.750 3.587 2.847 3.770 0.020 10 0 "[ . 1 . 2 . 3]" 1
319 1 27 LEU HB2 1 28 ASN H 3.145 . 4.490 4.081 3.956 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 36 LYS H 1 37 LYS H 2.375 . 2.950 2.392 2.124 2.956 0.006 2 0 "[ . 1 . 2 . 3]" 1
321 1 37 LYS H 1 38 GLU H 2.455 . 3.110 2.414 1.847 3.169 0.059 28 0 "[ . 1 . 2 . 3]" 1
322 1 37 LYS H 1 37 LYS HA 2.350 . 2.900 2.468 2.256 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 36 LYS HB3 1 37 LYS H 3.005 . 4.210 3.566 2.710 4.217 0.007 11 0 "[ . 1 . 2 . 3]" 1
324 1 37 LYS H 1 37 LYS QB 2.930 . 4.060 3.263 2.848 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 36 LYS HB2 1 37 LYS H 3.005 . 4.210 3.426 2.552 4.261 0.051 7 0 "[ . 1 . 2 . 3]" 1
326 1 37 LYS H 1 37 LYS QG 2.540 . 3.280 3.049 2.646 3.305 0.025 28 0 "[ . 1 . 2 . 3]" 1
327 1 64 ASP H 1 65 VAL H 3.035 . 4.270 2.186 2.078 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 62 LYS HA 1 64 ASP H 3.650 . 5.500 4.027 3.949 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 86 GLU H 1 88 PHE H 2.690 . 3.580 3.578 3.513 3.591 0.011 19 0 "[ . 1 . 2 . 3]" 1
330 1 88 PHE H 1 88 PHE QD 3.170 . 4.540 3.180 2.327 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 86 GLU HA 1 88 PHE H 3.650 . 5.500 4.575 4.031 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 88 PHE H 1 88 PHE HB3 2.735 . 3.670 3.588 3.476 3.695 0.025 19 0 "[ . 1 . 2 . 3]" 1
333 1 88 PHE H 1 88 PHE HB2 2.735 . 3.670 2.382 2.278 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 87 LEU HB2 1 88 PHE H 2.945 . 4.090 2.708 2.540 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 87 LEU QD 1 88 PHE H 3.650 . 5.500 3.943 3.416 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 87 LEU HB3 1 88 PHE H 3.095 . 4.390 3.779 3.551 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 10 PHE H 1 11 GLN HE21 3.650 . 5.500 5.189 4.411 5.502 0.002 14 0 "[ . 1 . 2 . 3]" 1
338 1 11 GLN HE21 1 11 GLN QG 2.380 . 2.960 2.222 2.094 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 11 GLN HE22 1 11 GLN QG 2.625 . 3.450 3.286 3.218 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 79 LEU H 1 80 ARG H 2.330 . 2.860 2.671 2.491 2.862 0.002 15 0 "[ . 1 . 2 . 3]" 1
341 1 68 VAL HB 1 80 ARG H 2.540 . 3.280 2.489 2.149 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 79 LEU HB3 1 80 ARG H 2.420 . 3.040 2.177 1.978 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 68 VAL MG1 1 80 ARG H 3.315 . 4.830 3.634 3.158 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 20 ASN HD21 1 21 GLY H 3.570 . 5.340 4.742 3.856 5.342 0.002 19 0 "[ . 1 . 2 . 3]" 1
345 1 84 HIS H 1 85 SER H 2.685 . 3.570 2.635 2.484 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 85 SER H 1 86 GLU H 2.550 . 3.300 2.306 2.240 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 85 SER H 1 85 SER QB 2.305 . 2.810 2.365 2.161 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 83 SER H 1 85 SER H 3.190 . 4.580 4.518 4.249 4.593 0.013 1 0 "[ . 1 . 2 . 3]" 1
349 1 8 LYS H 1 9 SER H 3.650 . 5.500 2.609 2.405 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 9 SER H 1 10 PHE H 2.580 . 3.360 2.595 2.482 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 7 LYS QB 1 9 SER H 2.470 . 3.140 2.524 2.335 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 8 LYS QB 1 9 SER H 2.455 . 3.110 2.755 2.448 3.137 0.027 18 0 "[ . 1 . 2 . 3]" 1
353 1 28 ASN HB2 1 28 ASN HD21 2.465 . 3.130 2.567 2.157 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 28 ASN HB3 1 28 ASN HD21 2.580 . 3.360 2.579 2.154 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 28 ASN HB2 1 28 ASN HD22 2.825 . 3.850 3.624 3.450 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 81 LEU HA 1 82 GLY H 2.250 . 2.700 2.183 2.143 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 66 LEU HB2 1 82 GLY H 3.490 . 5.180 3.809 3.199 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 81 LEU QD 1 82 GLY H 2.490 . 3.180 1.961 1.801 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 5 ASN HB2 1 5 ASN HD21 2.550 . 3.300 2.710 2.115 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 5 ASN HB3 1 5 ASN HD21 2.515 . 3.230 2.502 2.115 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 5 ASN HD21 1 77 ILE MG 2.760 . 3.720 2.252 1.917 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 50 LYS HA 1 51 GLY H 2.305 . 2.810 2.408 2.276 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 50 LYS HB2 1 51 GLY H 2.720 . 3.640 3.314 2.073 3.648 0.008 16 0 "[ . 1 . 2 . 3]" 1
364 1 50 LYS QG 1 51 GLY H 3.495 . 5.190 4.012 3.101 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 51 GLY H 1 54 LYS QG 3.600 . 5.400 3.309 1.982 5.219 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 50 LYS HB3 1 51 GLY H 2.720 . 3.640 2.745 2.139 3.648 0.008 27 0 "[ . 1 . 2 . 3]" 1
367 1 18 LEU HA 1 21 GLY H 3.505 . 5.210 4.739 3.536 5.228 0.018 17 0 "[ . 1 . 2 . 3]" 1
368 1 20 ASN HA 1 21 GLY H 2.675 . 3.550 3.028 2.706 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 33 THR HB 1 34 LEU HG 3.650 . 5.500 3.240 2.850 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 32 LEU HA 1 33 THR HA 3.270 . 4.740 4.701 4.634 4.809 0.069 15 0 "[ . 1 . 2 . 3]" 1
371 1 33 THR HA 1 36 LYS QE 3.275 . 4.750 4.152 1.893 4.789 0.039 11 0 "[ . 1 . 2 . 3]" 1
372 1 32 LEU HG 1 33 THR HA 3.525 . 5.250 3.695 3.088 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 63 PRO HA 1 64 ASP H 2.520 . 3.240 3.322 3.278 3.354 0.114 5 0 "[ . 1 . 2 . 3]" 1
374 1 60 HIS QB 1 63 PRO HA 3.155 . 4.510 4.268 4.008 4.514 0.004 23 0 "[ . 1 . 2 . 3]" 1
375 1 30 VAL HA 1 33 THR H 2.795 . 3.790 3.711 3.474 3.823 0.033 18 0 "[ . 1 . 2 . 3]" 1
376 1 30 VAL HA 1 33 THR HB 2.625 . 3.450 3.319 3.006 3.471 0.021 28 0 "[ . 1 . 2 . 3]" 1
377 1 30 VAL HA 1 31 ILE MD 3.260 . 4.720 4.609 4.256 4.727 0.007 29 0 "[ . 1 . 2 . 3]" 1
378 1 25 SER H 1 26 VAL HA 3.650 . 5.500 5.275 4.978 5.509 0.009 7 0 "[ . 1 . 2 . 3]" 1
379 1 26 VAL HA 1 30 VAL H 3.650 . 5.500 5.065 4.615 5.504 0.004 22 0 "[ . 1 . 2 . 3]" 1
380 1 25 SER HA 1 26 VAL HA 3.650 . 5.500 4.730 4.650 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 26 VAL HA 1 29 GLU H 2.790 . 3.780 3.608 3.442 3.786 0.006 9 0 "[ . 1 . 2 . 3]" 1
382 1 31 ILE HA 1 35 ARG H 3.360 . 4.920 3.941 3.390 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 31 ILE HA 1 34 LEU H 3.025 . 4.250 3.313 3.165 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 31 ILE HA 1 34 LEU HG 3.100 . 4.400 3.390 2.063 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 27 LEU MD1 1 31 ILE HA 3.375 . 4.950 4.538 3.894 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 42 PRO HA 1 44 PHE H 2.870 . 3.940 3.540 3.369 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 54 LYS QG 1 55 PRO HA 3.635 . 5.470 4.979 4.582 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 54 LYS QB 1 55 PRO HA 2.870 . 3.940 3.877 3.781 3.947 0.007 5 0 "[ . 1 . 2 . 3]" 1
389 1 25 SER HA 1 28 ASN HB2 3.330 . 4.860 3.272 2.666 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 25 SER HA 1 28 ASN HD21 3.650 . 5.500 4.424 3.347 5.501 0.001 15 0 "[ . 1 . 2 . 3]" 1
391 1 85 SER QB 1 86 GLU H 2.895 . 3.990 2.965 2.810 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 71 VAL HA 1 72 LYS HB2 3.200 . 4.600 4.224 3.934 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 71 VAL HA 1 77 ILE H 3.050 . 4.300 3.771 3.348 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 38 GLU HA 1 39 PRO HA 3.260 . 4.720 4.486 4.416 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 39 PRO HA 1 40 LEU HG 3.245 . 4.690 3.772 3.454 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 33 THR MG 1 39 PRO HA 3.650 . 5.500 5.108 4.142 5.520 0.020 18 0 "[ . 1 . 2 . 3]" 1
397 1 44 PHE QE 1 61 ILE HA 2.925 . 4.050 2.736 1.987 4.055 0.005 3 0 "[ . 1 . 2 . 3]" 1
398 1 61 ILE HA 1 61 ILE MD 2.785 . 3.770 3.530 3.159 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 44 PHE QD 1 61 ILE HA 2.535 . 3.270 2.367 1.969 3.275 0.005 1 0 "[ . 1 . 2 . 3]" 1
400 1 84 HIS HA 1 88 PHE QD 3.650 . 5.500 3.051 2.306 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 84 HIS HA 1 88 PHE QE 3.650 . 5.500 5.041 3.747 5.502 0.002 5 0 "[ . 1 . 2 . 3]" 1
402 1 66 LEU MD2 1 84 HIS HA 3.650 . 5.500 3.589 2.354 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 10 PHE HA 1 81 LEU H 2.490 . 3.180 2.961 2.675 3.196 0.016 26 0 "[ . 1 . 2 . 3]" 1
404 1 7 LYS H 1 10 PHE HA 3.650 . 5.500 5.258 4.949 5.502 0.002 22 0 "[ . 1 . 2 . 3]" 1
405 1 10 PHE HA 1 80 ARG H 3.650 . 5.500 4.835 4.693 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 10 PHE HA 1 10 PHE QD 2.525 . 3.250 2.667 2.232 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 10 PHE HA 1 80 ARG HB2 2.970 . 4.140 3.512 2.944 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 10 PHE HA 1 81 LEU QB 3.650 . 5.500 3.904 3.366 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 68 VAL HA 1 69 TYR QR 3.010 . 4.220 3.568 2.673 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 68 VAL HA 1 79 LEU HB2 3.455 . 5.110 4.326 4.081 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 85 SER HA 1 88 PHE H 3.240 . 4.680 4.283 3.961 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 85 SER HA 1 85 SER QB 2.375 . 2.950 2.402 2.188 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 9 SER HA 1 80 ARG HA 3.650 . 5.500 5.382 4.900 5.521 0.021 26 0 "[ . 1 . 2 . 3]" 1
414 1 9 SER HA 1 12 LYS H 2.935 . 4.070 3.609 3.238 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 1 MET HA 1 1 MET ME 2.960 . 4.120 3.386 1.976 4.153 0.033 8 0 "[ . 1 . 2 . 3]" 1
416 1 5 ASN H 1 77 ILE HA 3.020 . 4.240 2.249 2.018 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 5 ASN HB3 1 77 ILE HA 2.525 . 3.250 2.377 2.108 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 4 LEU HG 1 77 ILE HA 3.650 . 5.500 4.078 3.631 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 77 ILE HA 1 77 ILE MD 3.485 . 5.170 3.688 3.592 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 14 PHE HA 1 14 PHE QE 3.650 . 5.500 4.602 4.088 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 14 PHE HA 1 16 LYS H 3.650 . 5.500 4.868 4.017 5.388 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 14 PHE HA 1 14 PHE QD 2.810 . 3.820 2.717 1.948 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 14 PHE HA 1 81 LEU QB 3.625 . 5.450 3.725 3.372 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 14 PHE HA 1 81 LEU HG 3.265 . 4.730 4.478 4.030 4.745 0.015 15 0 "[ . 1 . 2 . 3]" 1
425 1 35 ARG HA 1 35 ARG HG2 2.655 . 3.510 2.524 2.345 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 12 LYS HA 1 15 ASP H 3.035 . 4.270 4.130 3.648 4.296 0.026 23 0 "[ . 1 . 2 . 3]" 1
427 1 29 GLU HA 1 29 GLU HG2 2.720 . 3.640 2.434 2.165 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 29 GLU HA 1 32 LEU QD 3.125 . 4.450 2.393 1.813 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 10 PHE QD 1 11 GLN HA 3.135 . 4.470 3.767 3.060 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 11 GLN HA 1 12 LYS HA 3.255 . 4.710 4.662 4.624 4.726 0.016 2 0 "[ . 1 . 2 . 3]" 1
431 1 11 GLN HA 1 11 GLN QG 2.500 . 3.200 2.452 2.225 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 44 PHE HA 1 44 PHE QD 3.105 . 4.410 2.707 2.023 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 56 PHE HA 1 56 PHE QR 2.475 . 3.150 2.641 2.086 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 56 PHE HA 1 68 VAL MG1 3.230 . 4.660 4.066 3.670 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 22 PHE HA 1 22 PHE QD 2.575 . 3.350 3.022 2.513 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 18 LEU HA 1 22 PHE HA 3.240 . 4.680 4.475 4.105 4.703 0.023 1 0 "[ . 1 . 2 . 3]" 1
437 1 32 LEU HA 1 35 ARG HB2 2.745 . 3.690 3.299 2.857 3.696 0.006 7 0 "[ . 1 . 2 . 3]" 1
438 1 32 LEU HA 1 35 ARG HG3 3.200 . 4.600 4.142 3.299 4.617 0.017 19 0 "[ . 1 . 2 . 3]" 1
439 1 32 LEU HA 1 32 LEU QD 2.640 . 3.480 3.260 2.927 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 43 GLN HA 1 45 GLN H 3.335 . 4.870 3.378 3.191 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 42 PRO QG 1 43 GLN HA 3.525 . 5.250 4.268 4.108 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 34 LEU HA 1 36 LYS H 3.650 . 5.500 3.897 3.609 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 18 LEU HA 1 22 PHE QD 2.690 . 3.580 2.568 1.904 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 27 LEU HA 1 30 VAL MG1 3.225 . 4.650 2.828 1.906 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 17 LEU HA 1 20 ASN HB2 2.965 . 4.130 2.627 2.077 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 17 LEU HA 1 17 LEU MD1 3.085 . 4.370 2.887 1.976 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 79 LEU HA 1 79 LEU MD1 3.520 . 5.240 2.364 2.028 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 14 PHE QD 1 15 ASP HA 3.650 . 5.500 3.494 2.621 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 52 LYS HA 1 52 LYS QD 2.625 . 3.450 2.744 1.990 3.452 0.002 11 0 "[ . 1 . 2 . 3]" 1
450 1 52 LYS HA 1 54 LYS H 3.010 . 4.220 3.636 3.390 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 52 LYS HA 1 52 LYS HG3 2.820 . 3.840 2.979 2.100 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 52 LYS HA 1 52 LYS HG2 2.820 . 3.840 3.047 2.019 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 65 VAL HA 1 83 SER HA 2.810 . 3.820 2.770 2.077 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 66 LEU H 1 83 SER HA 3.085 . 4.370 3.145 2.627 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 66 LEU MD1 1 83 SER HA 3.650 . 5.500 2.951 2.420 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 66 LEU MD2 1 83 SER HA 3.650 . 5.500 3.462 2.537 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 10 PHE HB2 1 79 LEU HA 2.965 . 4.130 3.945 3.680 4.138 0.008 22 0 "[ . 1 . 2 . 3]" 1
458 1 7 LYS QG 1 79 LEU HA 2.845 . 3.890 2.287 1.971 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 79 LEU HA 1 79 LEU MD2 3.520 . 5.240 2.636 2.016 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 36 LYS HA 1 36 LYS QD 2.925 . 4.050 3.287 1.867 4.176 0.126 19 0 "[ . 1 . 2 . 3]" 1
461 1 36 LYS HA 1 37 LYS QG 2.885 . 3.970 3.498 2.931 3.980 0.010 29 0 "[ . 1 . 2 . 3]" 1
462 1 19 LEU HA 1 19 LEU QD 2.825 . 3.850 2.682 1.948 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 86 GLU HA 1 87 LEU HA 3.380 . 4.960 4.709 4.659 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 3 LYS HA 1 3 LYS QE 3.100 . 4.400 4.255 4.003 4.404 0.004 4 0 "[ . 1 . 2 . 3]" 1
465 1 69 TYR HA 1 69 TYR QR 3.115 . 4.430 3.661 3.481 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 69 TYR HA 1 79 LEU HB3 3.650 . 5.500 3.891 3.569 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 69 TYR HA 1 79 LEU HB2 3.395 . 4.990 2.239 1.975 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 68 VAL MG1 1 69 TYR HA 3.650 . 5.500 3.480 3.312 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 58 GLU HB3 1 59 CYS HA 3.250 . 4.700 3.993 3.845 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 59 CYS HA 1 60 HIS HD2 3.320 . 4.840 3.222 2.604 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 27 LEU HA 1 28 ASN HA 3.650 . 5.500 4.833 4.774 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 28 ASN HA 1 31 ILE HB 2.840 . 3.880 3.161 2.583 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 44 PHE HB3 1 46 ASP HA 3.650 . 5.500 4.940 4.485 5.502 0.002 30 0 "[ . 1 . 2 . 3]" 1
474 1 60 HIS HA 1 66 LEU MD2 3.305 . 4.810 2.767 2.263 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 54 LYS HA 1 54 LYS QE 3.135 . 4.470 4.150 3.126 4.471 0.001 23 0 "[ . 1 . 2 . 3]" 1
476 1 2 LEU HA 1 2 LEU MD2 3.140 . 4.480 2.790 1.973 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 60 HIS HA 1 61 ILE H 2.490 . 3.180 2.288 2.143 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 60 HIS HA 1 60 HIS HD2 3.650 . 5.500 3.279 2.651 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 59 CYS HA 1 60 HIS HA 3.235 . 4.670 4.398 4.373 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 44 PHE HB3 1 60 HIS HA 3.650 . 5.500 5.077 4.269 5.512 0.012 16 0 "[ . 1 . 2 . 3]" 1
481 1 75 GLU HA 1 75 GLU HG3 2.765 . 3.730 2.682 2.177 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 60 HIS HA 1 66 LEU HB3 2.965 . 4.130 3.719 2.547 4.143 0.013 30 0 "[ . 1 . 2 . 3]" 1
483 1 60 HIS HA 1 61 ILE MD 2.780 . 3.760 3.483 2.994 3.762 0.002 17 0 "[ . 1 . 2 . 3]" 1
484 1 2 LEU QB 1 75 GLU HA 3.110 . 4.420 3.013 2.171 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 60 HIS HA 1 66 LEU HG 3.320 . 4.840 4.798 4.522 4.855 0.015 13 0 "[ . 1 . 2 . 3]" 1
486 1 47 HIS HA 1 48 ALA MB 3.650 . 5.500 4.140 3.972 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 47 HIS HA 1 57 ARG HB2 3.650 . 5.500 5.386 4.939 5.506 0.006 7 0 "[ . 1 . 2 . 3]" 1
488 1 71 VAL HB 1 72 LYS HA 3.650 . 5.500 4.983 4.660 5.593 0.093 5 0 "[ . 1 . 2 . 3]" 1
489 1 7 LYS HA 1 8 LYS HA 3.225 . 4.650 4.304 4.291 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 72 LYS HA 1 73 ASP HA 3.410 . 5.020 4.298 4.289 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 70 LEU HA 1 71 VAL HB 3.445 . 5.090 4.750 4.512 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 69 TYR QR 1 70 LEU HA 3.005 . 4.210 3.662 3.224 4.213 0.003 24 0 "[ . 1 . 2 . 3]" 1
493 1 66 LEU HB2 1 67 LEU HA 3.270 . 4.740 4.582 4.314 4.741 0.001 22 0 "[ . 1 . 2 . 3]" 1
494 1 72 LYS H 1 76 LEU HA 3.015 . 4.230 2.721 2.239 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 56 PHE QR 1 70 LEU HA 3.440 . 5.080 4.228 3.172 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 6 LEU HA 1 78 LEU HB3 3.650 . 5.500 4.048 3.686 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 24 ASP HA 1 27 LEU HB3 2.485 . 3.170 2.859 1.962 3.183 0.013 29 0 "[ . 1 . 2 . 3]" 1
498 1 22 PHE QD 1 24 ASP HA 2.860 . 3.920 3.284 2.786 3.927 0.007 18 0 "[ . 1 . 2 . 3]" 1
499 1 58 GLU HA 1 69 TYR QR 3.335 . 4.870 4.248 2.651 4.875 0.005 4 0 "[ . 1 . 2 . 3]" 1
500 1 58 GLU HA 1 68 VAL HA 2.925 . 4.050 2.361 2.071 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 68 VAL H 1 81 LEU HA 2.960 . 4.120 3.302 3.087 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 81 LEU HA 1 81 LEU HG 3.010 . 4.220 3.706 3.675 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 81 LEU HA 1 87 LEU MD2 3.650 . 5.500 5.148 4.685 5.504 0.004 15 0 "[ . 1 . 2 . 3]" 1
504 1 67 LEU HA 1 81 LEU HA 3.460 . 5.120 2.271 1.989 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 67 LEU HA 1 67 LEU MD2 3.035 . 4.270 3.468 1.916 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 67 LEU HA 1 81 LEU MD2 2.920 . 4.040 2.342 1.953 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 67 LEU HA 1 67 LEU MD1 3.035 . 4.270 2.665 1.947 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 5 ASN HB2 1 76 LEU HA 3.650 . 5.500 5.498 5.434 5.512 0.012 16 0 "[ . 1 . 2 . 3]" 1
509 1 69 TYR HA 1 78 LEU HA 2.610 . 3.420 2.649 2.384 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 24 ASP HA 1 27 LEU H 3.120 . 4.440 3.264 2.991 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 18 LEU HB3 1 24 ASP HA 3.650 . 5.500 4.324 3.223 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 10 PHE QD 1 80 ARG HA 2.965 . 4.130 2.125 1.952 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 10 PHE HA 1 80 ARG HA 2.435 . 3.070 2.051 1.945 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 41 ASP HA 1 42 PRO HD3 2.255 . 2.710 2.409 2.294 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 41 ASP HA 1 42 PRO HD2 2.255 . 2.710 2.502 2.399 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 41 ASP QB 1 42 PRO HD2 2.685 . 3.570 2.000 1.960 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 38 GLU HA 1 39 PRO HD3 2.185 . 2.570 2.379 2.243 2.574 0.004 21 0 "[ . 1 . 2 . 3]" 1
518 1 38 GLU HA 1 39 PRO HD2 2.230 . 2.660 2.130 1.972 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 56 PHE QR 1 70 LEU HB3 3.645 . 5.490 4.769 4.217 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 70 LEU HB3 1 77 ILE MG 3.230 . 4.660 3.890 3.610 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 56 PHE QR 1 70 LEU HB2 3.070 . 4.340 3.507 3.080 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 51 GLY HA3 1 52 LYS H 2.525 . 3.250 2.393 2.135 3.344 0.094 21 0 "[ . 1 . 2 . 3]" 1
523 1 51 GLY HA2 1 52 LYS H 2.580 . 3.360 2.959 2.130 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 51 GLY HA2 1 54 LYS QB 3.650 . 5.500 4.630 3.658 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 10 PHE QE 1 81 LEU QB 2.550 . 3.300 2.381 1.985 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 10 PHE QD 1 81 LEU QB 3.250 . 4.700 3.071 2.441 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 13 ASP HB3 1 81 LEU QB 3.255 . 4.710 2.405 1.965 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 81 LEU QB 1 82 GLY H 2.800 . 3.800 3.682 3.557 3.821 0.021 15 0 "[ . 1 . 2 . 3]" 1
529 1 13 ASP HB2 1 81 LEU QB 3.255 . 4.710 3.262 1.860 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 82 GLY HA3 1 87 LEU MD1 3.230 . 4.660 2.246 1.831 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 82 GLY HA3 1 87 LEU MD2 3.230 . 4.660 2.849 1.963 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 17 LEU MD2 1 82 GLY HA2 3.150 . 4.500 3.846 2.786 4.507 0.007 13 0 "[ . 1 . 2 . 3]" 1
533 1 67 LEU H 1 67 LEU HB2 2.820 . 3.840 3.165 2.663 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 61 ILE MD 1 67 LEU HB2 3.215 . 4.630 2.823 1.936 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 68 VAL HB 1 79 LEU HB3 2.905 . 4.010 2.382 2.050 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 79 LEU HB2 1 80 ARG H 2.445 . 3.090 2.869 2.435 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 56 PHE QR 1 79 LEU HB2 3.500 . 5.200 4.091 3.389 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 68 VAL HB 1 79 LEU HB2 3.650 . 5.500 3.131 2.480 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 68 VAL MG1 1 79 LEU HB2 2.965 . 4.130 2.418 1.948 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 79 LEU HB2 1 79 LEU MD1 2.990 . 4.180 2.834 2.018 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 79 LEU HB2 1 79 LEU MD2 2.990 . 4.180 2.455 2.171 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 35 ARG H 1 35 ARG QD 3.650 . 5.500 4.221 3.791 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 32 LEU HA 1 35 ARG QD 3.540 . 5.280 4.909 4.072 5.290 0.010 11 0 "[ . 1 . 2 . 3]" 1
544 1 35 ARG HB2 1 35 ARG QD 2.780 . 3.760 2.772 2.387 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 46 ASP HB2 1 59 CYS HA 3.135 . 4.470 3.862 3.270 4.477 0.007 18 0 "[ . 1 . 2 . 3]" 1
546 1 46 ASP H 1 46 ASP HB3 2.445 . 3.090 2.751 2.596 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 46 ASP HB3 1 59 CYS HA 3.050 . 4.300 3.150 2.610 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 40 LEU HB2 1 46 ASP HB3 3.530 . 5.260 4.572 3.519 5.265 0.005 7 0 "[ . 1 . 2 . 3]" 1
549 1 40 LEU HB3 1 46 ASP HB3 3.530 . 5.260 4.414 3.604 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 34 LEU HB3 1 35 ARG H 3.380 . 4.960 3.781 3.145 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 31 ILE QG 1 34 LEU HB3 3.650 . 5.500 5.408 4.849 5.523 0.023 23 0 "[ . 1 . 2 . 3]" 1
552 1 33 THR MG 1 34 LEU HB3 3.650 . 5.500 5.442 5.227 5.508 0.008 11 0 "[ . 1 . 2 . 3]" 1
553 1 69 TYR HB2 1 70 LEU H 2.390 . 2.980 2.474 2.024 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 69 TYR HB2 1 78 LEU HG 3.650 . 5.500 4.768 4.205 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 69 TYR HB3 1 78 LEU HA 3.025 . 4.250 2.492 1.963 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 67 LEU HG 1 69 TYR HB3 2.970 . 4.140 3.753 3.305 4.189 0.049 18 0 "[ . 1 . 2 . 3]" 1
557 1 69 TYR HB3 1 78 LEU HG 3.485 . 5.170 4.777 4.308 5.173 0.003 25 0 "[ . 1 . 2 . 3]" 1
558 1 69 TYR HB3 1 79 LEU HB2 3.490 . 5.180 4.333 3.961 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 49 LEU HB2 1 53 TRP HB3 3.650 . 5.500 2.625 2.093 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 49 LEU HB3 1 53 TRP HB3 2.925 . 4.050 3.671 3.179 4.055 0.005 20 0 "[ . 1 . 2 . 3]" 1
561 1 1 MET QB 1 2 LEU QB 3.505 . 5.210 4.448 3.354 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 66 LEU HB3 1 81 LEU MD2 3.650 . 5.500 5.383 4.841 5.515 0.015 11 0 "[ . 1 . 2 . 3]" 1
563 1 62 LYS HA 1 62 LYS QE 3.260 . 4.720 3.902 2.992 4.725 0.005 19 0 "[ . 1 . 2 . 3]" 1
564 1 26 VAL HA 1 62 LYS QE 3.650 . 5.500 4.861 3.658 5.517 0.017 24 0 "[ . 1 . 2 . 3]" 1
565 1 62 LYS QE 1 62 LYS QG 3.015 . 4.230 2.239 1.948 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 49 LEU HB2 1 53 TRP HB2 2.960 . 4.120 2.228 1.959 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 49 LEU HB3 1 53 TRP HB2 2.415 . 3.030 2.601 2.044 3.031 0.001 7 0 "[ . 1 . 2 . 3]" 1
568 1 66 LEU HB3 1 66 LEU MD2 2.810 . 3.820 2.212 2.012 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 51 GLY H 1 54 LYS QE 3.650 . 5.500 3.719 2.096 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 18 LEU HA 1 22 PHE HB3 3.025 . 4.250 1.972 1.869 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 3 LYS QE 1 76 LEU H 3.650 . 5.500 3.638 3.114 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 3 LYS QE 1 75 GLU H 3.650 . 5.500 5.507 5.500 5.522 0.022 15 0 "[ . 1 . 2 . 3]" 1
573 1 3 LYS QE 1 75 GLU HA 2.995 . 4.190 3.864 3.477 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 3 LYS QE 1 4 LEU HA 3.650 . 5.500 4.570 4.330 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 3 LYS QE 1 5 ASN HA 3.650 . 5.500 4.658 4.051 5.190 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 3 LYS QE 1 75 GLU QB 2.955 . 4.110 2.068 1.943 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 3 LYS QE 1 77 ILE MG 3.140 . 4.480 3.420 2.851 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 41 ASP QB 1 42 PRO HD3 2.685 . 3.570 3.383 3.330 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 41 ASP QB 1 44 PHE QD 2.595 . 3.390 2.525 2.005 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 41 ASP QB 1 44 PHE QE 3.015 . 4.230 2.435 1.971 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 32 LEU QD 1 36 LYS QE 2.825 . 3.850 2.663 1.757 3.858 0.043 28 0 "[ . 1 . 2 . 3]" 1
582 1 41 ASP QB 1 44 PHE HB3 3.650 . 5.500 5.441 5.210 5.505 0.005 26 0 "[ . 1 . 2 . 3]" 1
583 1 41 ASP QB 1 42 PRO QG 2.730 . 3.660 3.491 3.333 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 52 LYS QB 1 52 LYS QE 3.650 . 5.500 3.215 2.252 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 23 ASP H 1 23 ASP HB3 2.870 . 3.940 2.823 2.503 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 22 PHE HA 1 23 ASP HB3 3.485 . 5.170 4.983 4.695 5.171 0.001 5 0 "[ . 1 . 2 . 3]" 1
587 1 23 ASP H 1 23 ASP HB2 2.870 . 3.940 2.364 2.138 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 22 PHE HA 1 23 ASP HB2 3.485 . 5.170 4.287 4.152 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 17 LEU MD2 1 22 PHE HB2 3.230 . 4.660 2.789 1.894 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 18 LEU HA 1 22 PHE HB2 3.025 . 4.250 3.680 3.485 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 32 LEU H 1 32 LEU HB3 2.740 . 3.680 2.161 2.057 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 19 LEU HB2 1 20 ASN H 3.300 . 4.800 3.699 2.792 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 32 LEU H 1 32 LEU HB2 2.740 . 3.680 3.203 2.717 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 18 LEU H 1 18 LEU HB3 2.790 . 3.780 3.562 3.506 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 27 LEU H 1 27 LEU HB2 2.665 . 3.530 3.412 2.877 3.546 0.016 29 0 "[ . 1 . 2 . 3]" 1
596 1 18 LEU HB3 1 22 PHE QD 2.935 . 4.070 4.092 3.892 4.128 0.058 17 0 "[ . 1 . 2 . 3]" 1
597 1 87 LEU HB2 1 87 LEU MD1 2.670 . 3.540 2.234 1.991 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 87 LEU HB2 1 87 LEU MD2 2.670 . 3.540 3.035 2.531 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 63 PRO QB 1 64 ASP QB 3.360 . 4.920 3.759 3.282 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 64 ASP H 1 64 ASP QB 2.895 . 3.990 2.775 2.535 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 6 LEU HB2 1 11 GLN QG 3.650 . 5.500 4.253 3.020 5.274 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 6 LEU HB3 1 10 PHE QD 2.995 . 4.190 3.469 2.569 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 6 LEU HB3 1 11 GLN QG 2.995 . 4.190 3.183 2.175 4.198 0.008 2 0 "[ . 1 . 2 . 3]" 1
604 1 13 ASP HB3 1 81 LEU H 2.735 . 3.670 2.230 1.968 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 13 ASP HB2 1 81 LEU H 2.735 . 3.670 2.403 2.102 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 3 LYS HB3 1 5 ASN HB2 3.650 . 5.500 5.234 5.013 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 15 ASP H 1 15 ASP HB2 2.745 . 3.690 2.325 2.064 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 17 LEU HB3 1 22 PHE QD 3.580 . 5.360 4.225 3.046 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 6 LEU HA 1 78 LEU HB2 2.980 . 4.160 2.471 2.136 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 7 LYS QG 1 78 LEU HB2 3.450 . 5.100 4.694 4.117 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 17 LEU HB2 1 22 PHE QD 3.580 . 5.360 5.277 4.418 5.397 0.037 13 0 "[ . 1 . 2 . 3]" 1
612 1 78 LEU H 1 78 LEU HB3 2.960 . 4.120 3.608 3.582 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 7 LYS H 1 10 PHE HB2 2.935 . 4.070 3.047 2.676 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 10 PHE HB2 1 80 ARG H 3.145 . 4.490 4.026 3.429 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 10 PHE HB2 1 11 GLN H 2.865 . 3.930 3.886 3.710 3.943 0.013 11 0 "[ . 1 . 2 . 3]" 1
616 1 17 LEU HA 1 20 ASN HB3 2.965 . 4.130 2.979 2.107 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 5 ASN HB2 1 77 ILE HA 2.635 . 3.470 2.166 1.978 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 7 LYS H 1 10 PHE HB3 3.460 . 5.120 2.638 2.260 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 10 PHE HB3 1 11 GLN H 2.770 . 3.740 2.796 2.392 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 5 ASN HB3 1 6 LEU H 3.255 . 4.710 2.712 2.413 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 5 ASN HB3 1 6 LEU HB2 3.650 . 5.500 5.342 5.075 5.501 0.001 16 0 "[ . 1 . 2 . 3]" 1
622 1 53 TRP HA 1 56 PHE HB2 3.220 . 4.640 3.316 2.723 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 56 PHE HB2 1 68 VAL MG2 3.395 . 4.990 4.603 4.025 4.994 0.004 17 0 "[ . 1 . 2 . 3]" 1
624 1 56 PHE H 1 56 PHE HB3 2.890 . 3.980 3.785 3.637 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 56 PHE HB3 1 68 VAL MG2 3.205 . 4.610 4.363 3.893 4.616 0.006 13 0 "[ . 1 . 2 . 3]" 1
626 1 14 PHE HB2 1 31 ILE QG 3.650 . 5.500 5.314 4.243 5.520 0.020 1 0 "[ . 1 . 2 . 3]" 1
627 1 14 PHE HB2 1 81 LEU HG 3.650 . 5.500 5.262 4.074 5.526 0.026 26 0 "[ . 1 . 2 . 3]" 1
628 1 70 LEU H 1 77 ILE HB 3.285 . 4.770 4.648 4.508 4.779 0.009 9 0 "[ . 1 . 2 . 3]" 1
629 1 77 ILE H 1 77 ILE HB 2.970 . 4.140 3.857 3.807 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 70 LEU HB3 1 77 ILE HB 3.330 . 4.860 4.750 4.608 4.865 0.005 18 0 "[ . 1 . 2 . 3]" 1
631 1 70 LEU HB2 1 77 ILE HB 3.410 . 5.020 4.929 4.825 5.023 0.003 7 0 "[ . 1 . 2 . 3]" 1
632 1 44 PHE HB3 1 61 ILE MD 3.650 . 5.500 5.410 4.921 5.510 0.010 25 0 "[ . 1 . 2 . 3]" 1
633 1 40 LEU HB3 1 44 PHE HB2 3.150 . 4.500 3.324 2.893 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 28 ASN H 1 28 ASN HB3 2.550 . 3.300 2.992 2.714 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 28 ASN HB3 1 28 ASN HD22 2.820 . 3.840 3.630 3.449 3.844 0.004 6 0 "[ . 1 . 2 . 3]" 1
636 1 25 SER HA 1 28 ASN HB3 3.495 . 5.190 4.170 3.642 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 28 ASN HB3 1 29 GLU HA 3.650 . 5.500 4.028 3.773 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 61 ILE HB 1 62 LYS H 2.520 . 3.240 2.798 2.298 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 61 ILE HB 1 65 VAL MG1 2.900 . 4.000 2.947 2.371 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 38 GLU HA 1 38 GLU QG 2.270 . 2.740 2.305 2.027 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 38 GLU QG 1 39 PRO HD2 2.380 . 2.960 2.377 1.914 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 86 GLU QG 1 87 LEU H 3.280 . 4.760 4.008 3.665 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 86 GLU H 1 86 GLU QG 2.820 . 3.840 3.424 2.040 3.851 0.011 15 0 "[ . 1 . 2 . 3]" 1
644 1 86 GLU HA 1 86 GLU QG 2.460 . 3.120 2.228 2.017 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 61 ILE HB 1 65 VAL MG2 2.900 . 4.000 4.014 4.004 4.046 0.046 23 0 "[ . 1 . 2 . 3]" 1
646 1 75 GLU HA 1 75 GLU HG2 2.765 . 3.730 2.878 2.369 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 58 GLU HG3 1 59 CYS H 2.770 . 3.740 3.343 1.996 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 58 GLU HG3 1 68 VAL MG2 3.360 . 4.920 2.382 1.907 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 58 GLU HG2 1 59 CYS H 2.770 . 3.740 2.188 1.977 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 58 GLU HG2 1 68 VAL MG2 3.360 . 4.920 2.966 2.174 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 29 GLU HA 1 29 GLU HG3 2.720 . 3.640 3.291 2.347 3.642 0.002 4 0 "[ . 1 . 2 . 3]" 1
652 1 72 LYS H 1 72 LYS HB2 2.550 . 3.300 2.383 2.093 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 72 LYS HB3 1 76 LEU H 3.415 . 5.030 4.844 4.352 5.035 0.005 25 0 "[ . 1 . 2 . 3]" 1
654 1 72 LYS HB3 1 77 ILE MG 3.135 . 4.470 4.046 3.255 4.483 0.013 5 0 "[ . 1 . 2 . 3]" 1
655 1 10 PHE HB2 1 11 GLN QG 3.650 . 5.500 5.079 4.551 5.447 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 8 LYS HA 1 11 GLN QG 2.755 . 3.710 3.225 2.408 3.713 0.003 1 0 "[ . 1 . 2 . 3]" 1
657 1 75 GLU QB 1 76 LEU H 3.000 . 4.200 2.686 2.157 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 3 LYS HB3 1 76 LEU H 3.095 . 4.390 2.619 2.192 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 3 LYS HB3 1 4 LEU H 3.015 . 4.230 3.433 2.722 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 3 LYS HB3 1 75 GLU HA 2.455 . 3.110 2.749 2.165 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 3 LYS HB2 1 75 GLU HA 2.425 . 3.050 2.892 2.259 3.061 0.011 9 0 "[ . 1 . 2 . 3]" 1
662 1 68 VAL HB 1 79 LEU MD2 3.540 . 5.280 4.287 2.849 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 56 PHE HA 1 57 ARG HB2 3.650 . 5.500 4.204 4.084 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 57 ARG HB2 1 57 ARG HE 2.830 . 3.860 2.985 1.996 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 57 ARG HA 1 57 ARG HB2 2.175 . 2.550 2.509 2.444 2.563 0.013 29 0 "[ . 1 . 2 . 3]" 1
666 1 43 GLN H 1 43 GLN HG3 2.710 . 3.620 2.610 1.996 3.624 0.004 6 0 "[ . 1 . 2 . 3]" 1
667 1 16 LYS H 1 16 LYS HB2 2.970 . 4.140 2.212 2.067 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 16 LYS HB2 1 16 LYS QE 3.040 . 4.280 3.059 1.920 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 16 LYS HB3 1 16 LYS QE 3.295 . 4.790 3.816 3.270 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 12 LYS QB 1 13 ASP H 2.800 . 3.800 3.288 2.461 3.817 0.017 27 0 "[ . 1 . 2 . 3]" 1
671 1 12 LYS HA 1 16 LYS HB2 3.285 . 4.770 2.255 1.782 4.163 0.018 29 0 "[ . 1 . 2 . 3]" 1
672 1 54 LYS HA 1 54 LYS QB 2.235 . 2.670 2.520 2.496 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 54 LYS QB 1 54 LYS QE 2.955 . 4.110 3.283 2.116 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 8 LYS H 1 8 LYS HB3 2.775 . 3.750 3.202 2.499 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 30 VAL HB 1 31 ILE H 2.895 . 3.990 3.135 1.923 4.019 0.029 23 0 "[ . 1 . 2 . 3]" 1
676 1 8 LYS H 1 8 LYS HB2 2.775 . 3.750 2.353 2.068 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 59 CYS H 1 59 CYS HB2 2.590 . 3.380 3.273 3.014 3.401 0.021 29 0 "[ . 1 . 2 . 3]" 1
678 1 59 CYS HB2 1 61 ILE MD 3.405 . 5.010 4.438 3.586 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 46 ASP HB3 1 59 CYS HB2 3.280 . 4.760 3.657 2.746 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 46 ASP HB2 1 59 CYS HB2 3.395 . 4.990 3.637 2.981 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 49 LEU MD1 1 53 TRP HB3 3.650 . 5.500 2.348 1.915 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 59 CYS HB3 1 60 HIS H 3.150 . 4.500 4.127 3.854 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 46 ASP HB3 1 59 CYS HB3 3.335 . 4.870 4.604 4.124 4.870 0.000 16 0 "[ . 1 . 2 . 3]" 1
684 1 46 ASP HB2 1 59 CYS HB3 3.570 . 5.340 5.063 4.630 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 30 VAL HA 1 30 VAL HB 2.395 . 2.990 2.676 2.424 3.019 0.029 5 0 "[ . 1 . 2 . 3]" 1
686 1 47 HIS HB3 1 48 ALA H 2.685 . 3.570 2.616 1.993 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 35 ARG HB3 1 35 ARG QD 2.500 . 3.200 2.319 1.965 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 35 ARG H 1 35 ARG HB2 2.805 . 3.810 2.606 2.430 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 38 GLU HB2 1 39 PRO HD2 3.160 . 4.520 4.242 3.330 4.524 0.004 1 0 "[ . 1 . 2 . 3]" 1
690 1 33 THR MG 1 38 GLU HB2 3.040 . 4.280 3.309 2.199 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 38 GLU HA 1 38 GLU HB2 2.350 . 2.900 2.626 2.338 2.904 0.004 18 0 "[ . 1 . 2 . 3]" 1
692 1 60 HIS QB 1 62 LYS H 3.550 . 5.300 3.627 3.210 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 3 LYS QD 1 4 LEU H 2.540 . 3.280 2.123 1.943 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 3 LYS QD 1 3 LYS QE 2.285 . 2.770 2.052 2.010 2.089 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 3 LYS HA 1 3 LYS QD 2.560 . 3.320 3.233 2.562 3.351 0.031 15 0 "[ . 1 . 2 . 3]" 1
696 1 36 LYS QD 1 36 LYS QE 2.205 . 2.610 2.052 1.979 2.091 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 36 LYS HB3 1 36 LYS QD 2.825 . 3.850 2.272 1.941 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 36 LYS H 1 36 LYS QD 3.650 . 5.500 4.648 4.048 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 36 LYS HB2 1 36 LYS QD 2.825 . 3.850 2.896 1.951 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 36 LYS QD 1 37 LYS QG 2.825 . 3.850 3.657 2.609 3.941 0.091 28 0 "[ . 1 . 2 . 3]" 1
701 1 83 SER HA 1 84 HIS HB2 3.650 . 5.500 4.638 4.393 5.584 0.084 15 0 "[ . 1 . 2 . 3]" 1
702 1 83 SER HA 1 84 HIS HB3 3.650 . 5.500 5.272 4.302 5.501 0.001 22 0 "[ . 1 . 2 . 3]" 1
703 1 60 HIS QB 1 61 ILE H 2.845 . 3.890 3.769 3.514 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 60 HIS QB 1 60 HIS HD2 2.715 . 3.630 3.144 2.736 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 31 ILE QG 1 35 ARG HG2 3.365 . 4.930 4.518 3.600 4.939 0.009 26 0 "[ . 1 . 2 . 3]" 1
706 1 11 GLN H 1 11 GLN HB3 2.910 . 4.020 3.563 3.505 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 11 GLN HB3 1 12 LYS H 3.175 . 4.550 3.506 3.148 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 28 ASN HB3 1 29 GLU HB2 3.650 . 5.500 4.897 4.312 5.320 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 29 GLU HB2 1 30 VAL H 2.800 . 3.800 2.908 2.541 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 26 VAL HA 1 29 GLU HB2 2.670 . 3.540 3.393 3.093 3.551 0.011 22 0 "[ . 1 . 2 . 3]" 1
711 1 29 GLU HB3 1 30 VAL H 3.110 . 4.420 3.679 3.199 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 29 GLU H 1 29 GLU HB3 2.805 . 3.810 3.566 3.446 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 62 LYS HA 1 62 LYS QD 3.335 . 4.870 3.574 2.115 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 62 LYS QD 1 65 VAL MG2 3.440 . 5.080 2.948 1.806 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 62 LYS QD 1 65 VAL MG1 3.440 . 5.080 4.414 2.702 5.081 0.001 18 0 "[ . 1 . 2 . 3]" 1
716 1 35 ARG H 1 35 ARG HG3 2.820 . 3.840 2.501 2.090 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 76 LEU HG 1 78 LEU H 3.650 . 5.500 5.143 4.375 5.510 0.010 24 0 "[ . 1 . 2 . 3]" 1
718 1 76 LEU HA 1 76 LEU HG 2.975 . 4.150 2.600 2.317 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 11 GLN H 1 11 GLN HB2 2.910 . 4.020 2.356 2.202 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 11 GLN HB2 1 12 LYS H 3.175 . 4.550 2.696 2.435 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 77 ILE H 1 77 ILE HG13 2.395 . 2.990 2.163 2.050 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 77 ILE HA 1 77 ILE HG13 2.760 . 3.720 3.574 3.558 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 5 ASN HB3 1 77 ILE HG13 3.360 . 4.920 4.816 4.713 4.927 0.007 15 0 "[ . 1 . 2 . 3]" 1
724 1 87 LEU HA 1 87 LEU HG 2.720 . 3.640 3.003 2.252 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 77 ILE H 1 77 ILE HG12 3.650 . 5.500 3.540 3.403 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 6 LEU HA 1 6 LEU HG 2.750 . 3.700 2.579 2.290 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 66 LEU H 1 66 LEU HG 2.720 . 3.640 2.611 2.332 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 66 LEU HA 1 66 LEU HG 2.755 . 3.710 3.389 3.271 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 65 VAL HA 1 66 LEU HG 3.370 . 4.940 3.207 3.055 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 27 LEU HG 1 28 ASN H 2.700 . 3.600 2.247 1.936 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 27 LEU H 1 27 LEU HG 2.960 . 4.120 3.122 2.691 4.155 0.035 12 0 "[ . 1 . 2 . 3]" 1
732 1 24 ASP HA 1 27 LEU HG 2.895 . 3.990 3.678 3.138 4.002 0.012 7 0 "[ . 1 . 2 . 3]" 1
733 1 24 ASP HB2 1 27 LEU HG 3.035 . 4.270 3.988 3.502 4.298 0.028 29 0 "[ . 1 . 2 . 3]" 1
734 1 24 ASP HB3 1 27 LEU HG 3.650 . 5.500 5.227 4.693 5.517 0.017 8 0 "[ . 1 . 2 . 3]" 1
735 1 81 LEU MD1 1 82 GLY H 2.340 . 2.880 2.389 1.968 2.881 0.001 21 0 "[ . 1 . 2 . 3]" 1
736 1 2 LEU HA 1 2 LEU MD1 3.140 . 4.480 3.877 3.584 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 61 ILE H 1 61 ILE HG13 2.895 . 3.990 2.630 2.317 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 43 GLN H 1 43 GLN HB2 2.760 . 3.720 3.119 2.286 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 40 LEU H 1 40 LEU HG 2.850 . 3.900 2.504 1.996 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 40 LEU HA 1 40 LEU HG 2.550 . 3.300 2.873 2.370 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 17 LEU H 1 17 LEU HG 3.015 . 4.230 4.128 3.561 4.311 0.081 12 0 "[ . 1 . 2 . 3]" 1
742 1 17 LEU HA 1 17 LEU HG 2.570 . 3.340 2.897 2.279 3.345 0.005 5 0 "[ . 1 . 2 . 3]" 1
743 1 61 ILE H 1 61 ILE HG12 2.895 . 3.990 3.741 3.631 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 49 LEU HA 1 49 LEU HG 2.645 . 3.490 2.684 2.211 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 70 LEU HA 1 70 LEU HG 2.810 . 3.820 2.568 2.257 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 17 LEU MD2 1 81 LEU MD1 3.310 . 4.820 2.976 1.843 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 17 LEU MD1 1 81 LEU MD1 3.310 . 4.820 3.162 1.796 4.452 0.004 25 0 "[ . 1 . 2 . 3]" 1
748 1 19 LEU H 1 19 LEU HG 2.695 . 3.590 2.665 1.973 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 32 LEU HG 1 33 THR H 3.125 . 4.450 3.691 3.015 4.468 0.018 30 0 "[ . 1 . 2 . 3]" 1
750 1 32 LEU HG 1 36 LYS QE 2.785 . 3.770 2.791 1.847 3.783 0.013 30 0 "[ . 1 . 2 . 3]" 1
751 1 18 LEU H 1 18 LEU HG 3.650 . 5.500 3.374 1.899 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 18 LEU HG 1 22 PHE QD 3.650 . 5.500 3.616 2.672 5.236 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 15 ASP HA 1 18 LEU HG 3.145 . 4.490 3.963 2.126 4.553 0.063 26 0 "[ . 1 . 2 . 3]" 1
754 1 18 LEU HA 1 18 LEU HG 2.995 . 4.190 3.153 2.694 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 18 LEU HG 1 24 ASP HA 3.145 . 4.490 3.449 2.262 4.534 0.044 29 0 "[ . 1 . 2 . 3]" 1
756 1 4 LEU HA 1 4 LEU HG 2.500 . 3.200 2.493 2.317 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 49 LEU H 1 49 LEU MD1 3.270 . 4.740 2.963 1.920 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 49 LEU HA 1 49 LEU MD1 3.110 . 4.420 3.748 3.414 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 70 LEU MD1 1 71 VAL H 3.370 . 4.940 3.495 2.764 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 56 PHE QR 1 70 LEU MD1 2.645 . 3.490 1.991 1.796 2.547 0.004 7 0 "[ . 1 . 2 . 3]" 1
761 1 70 LEU HA 1 70 LEU MD1 2.900 . 4.000 2.497 1.941 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 17 LEU H 1 17 LEU MD1 3.335 . 4.870 4.187 4.036 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 17 LEU MD1 1 82 GLY HA2 3.150 . 4.500 3.570 2.436 4.506 0.006 22 0 "[ . 1 . 2 . 3]" 1
764 1 17 LEU MD1 1 22 PHE HB3 3.230 . 4.660 3.861 2.975 4.695 0.035 2 0 "[ . 1 . 2 . 3]" 1
765 1 17 LEU MD1 1 22 PHE HB2 3.230 . 4.660 3.148 1.919 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 78 LEU MD1 1 79 LEU H 3.650 . 5.500 4.858 4.400 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 33 THR MG 1 34 LEU HG 3.465 . 5.130 3.927 3.409 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 34 LEU HG 1 61 ILE MG 3.650 . 5.500 3.859 3.001 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 78 LEU H 1 78 LEU HG 2.560 . 3.320 2.418 2.220 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 4 LEU H 1 4 LEU MD1 3.555 . 5.310 4.510 4.149 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 67 LEU H 1 67 LEU MD1 3.345 . 4.890 4.115 3.712 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 67 LEU MD1 1 69 TYR HB3 2.905 . 4.010 2.652 1.858 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 67 LEU HB2 1 67 LEU MD1 2.695 . 3.590 2.543 2.011 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 62 LYS HA 1 62 LYS QG 2.620 . 3.440 2.608 2.070 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 62 LYS QG 1 65 VAL MG1 3.040 . 4.280 3.636 3.011 4.336 0.056 23 0 "[ . 1 . 2 . 3]" 1
776 1 16 LYS HA 1 16 LYS QG 2.880 . 3.960 2.308 2.006 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 54 LYS HA 1 54 LYS QG 2.155 . 2.510 2.164 2.028 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 72 LYS H 1 72 LYS HG3 3.585 . 5.370 4.379 3.758 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 37 LYS HA 1 37 LYS QG 2.845 . 3.890 3.301 2.752 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 67 LEU H 1 67 LEU MD2 3.345 . 4.890 4.108 3.457 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 72 LYS H 1 72 LYS HG2 3.585 . 5.370 4.546 4.062 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 69 TYR HA 1 79 LEU HG 3.605 . 5.410 4.429 4.002 5.413 0.003 15 0 "[ . 1 . 2 . 3]" 1
783 1 67 LEU MD2 1 69 TYR HB3 2.905 . 4.010 3.879 3.315 4.019 0.009 17 0 "[ . 1 . 2 . 3]" 1
784 1 67 LEU HB2 1 67 LEU MD2 2.695 . 3.590 2.410 2.210 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 68 VAL MG1 1 79 LEU HG 2.805 . 3.810 2.946 2.145 3.820 0.010 1 0 "[ . 1 . 2 . 3]" 1
786 1 81 LEU MD2 1 82 GLY H 2.690 . 3.580 2.168 1.879 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 10 PHE QE 1 81 LEU MD2 2.920 . 4.040 3.053 2.296 4.041 0.001 25 0 "[ . 1 . 2 . 3]" 1
788 1 81 LEU HA 1 81 LEU MD2 2.685 . 3.570 1.977 1.892 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 66 LEU HB2 1 81 LEU MD2 3.550 . 5.300 4.638 4.034 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 66 LEU HG 1 81 LEU MD2 3.650 . 5.500 5.006 4.164 5.506 0.006 9 0 "[ . 1 . 2 . 3]" 1
791 1 67 LEU HB3 1 81 LEU MD2 3.260 . 4.720 2.976 1.854 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 67 LEU HB2 1 81 LEU MD2 2.380 . 2.960 2.069 1.813 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 65 VAL H 1 66 LEU MD1 3.650 . 5.500 5.192 4.949 5.481 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 66 LEU MD1 1 88 PHE QE 3.130 . 4.460 3.281 2.231 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 18 LEU H 1 18 LEU MD1 2.655 . 3.510 2.513 1.839 3.617 0.107 2 0 "[ . 1 . 2 . 3]" 1
796 1 68 VAL HB 1 79 LEU MD1 3.540 . 5.280 4.209 3.730 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 54 LYS H 1 54 LYS QG 3.060 . 4.320 3.710 3.303 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 37 LYS QE 1 37 LYS QG 2.940 . 4.080 2.126 1.934 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 27 LEU MD1 1 31 ILE H 2.905 . 4.010 3.345 2.513 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 27 LEU H 1 27 LEU MD1 3.530 . 5.260 4.139 3.985 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 27 LEU HA 1 27 LEU MD1 2.765 . 3.730 3.222 2.208 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 32 LEU H 1 32 LEU QD 2.855 . 3.910 2.743 1.967 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 30 VAL HA 1 32 LEU QD 3.065 . 4.330 3.907 3.380 4.360 0.030 7 0 "[ . 1 . 2 . 3]" 1
804 1 70 LEU MD2 1 71 VAL H 3.370 . 4.940 3.243 1.851 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 56 PHE QR 1 70 LEU MD2 2.645 . 3.490 3.225 2.407 3.495 0.005 18 0 "[ . 1 . 2 . 3]" 1
806 1 70 LEU HA 1 70 LEU MD2 2.900 . 4.000 3.488 2.294 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 66 LEU HB2 1 66 LEU MD1 2.460 . 3.120 2.214 1.953 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 66 LEU HB3 1 66 LEU MD1 2.445 . 3.090 2.533 2.294 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 66 LEU MD1 1 84 HIS HA 2.915 . 4.030 2.225 1.869 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 69 TYR HA 1 79 LEU MD1 3.650 . 5.500 4.069 2.218 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 82 GLY H 1 87 LEU MD2 3.155 . 4.510 4.273 3.910 4.518 0.008 28 0 "[ . 1 . 2 . 3]" 1
812 1 69 TYR HA 1 79 LEU MD2 3.650 . 5.500 3.408 2.391 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 34 LEU H 1 34 LEU MD1 2.840 . 3.880 3.544 3.171 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 34 LEU HA 1 34 LEU MD1 3.215 . 4.630 3.890 3.796 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 32 LEU QD 1 33 THR HB 3.570 . 5.340 3.382 3.016 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 40 LEU H 1 40 LEU MD2 3.585 . 5.370 3.775 3.368 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 33 THR MG 1 34 LEU H 2.845 . 3.890 3.720 3.459 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 33 THR H 1 33 THR MG 2.895 . 3.990 3.767 3.738 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 33 THR HA 1 33 THR MG 2.495 . 3.190 2.439 2.341 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 30 VAL HA 1 33 THR MG 3.350 . 4.900 4.513 4.142 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 33 THR MG 1 38 GLU QG 2.900 . 4.000 3.205 2.064 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 33 THR MG 1 38 GLU HB3 2.600 . 3.400 2.198 1.816 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 18 LEU H 1 18 LEU MD2 2.655 . 3.510 2.835 1.768 3.583 0.073 25 0 "[ . 1 . 2 . 3]" 1
824 1 49 LEU HA 1 49 LEU MD2 3.110 . 4.420 2.750 1.975 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 49 LEU MD2 1 53 TRP HB3 3.650 . 5.500 3.929 2.519 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 17 LEU MD2 1 22 PHE HB3 3.230 . 4.660 3.271 1.973 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 66 LEU H 1 66 LEU MD2 2.745 . 3.690 3.558 3.198 3.708 0.018 4 0 "[ . 1 . 2 . 3]" 1
828 1 64 ASP H 1 66 LEU MD2 3.350 . 4.900 4.743 4.283 4.912 0.012 7 0 "[ . 1 . 2 . 3]" 1
829 1 60 HIS HD2 1 66 LEU MD2 3.345 . 4.890 3.458 2.377 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 66 LEU MD2 1 84 HIS HD2 3.570 . 5.340 4.388 2.661 5.350 0.010 15 0 "[ . 1 . 2 . 3]" 1
831 1 66 LEU MD2 1 88 PHE QE 3.650 . 5.500 4.321 2.778 5.500 0.000 21 0 "[ . 1 . 2 . 3]" 1
832 1 66 LEU HA 1 66 LEU MD2 2.745 . 3.690 2.573 2.037 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 60 HIS QB 1 66 LEU MD2 2.540 . 3.280 2.800 1.869 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 66 LEU HB2 1 66 LEU MD2 2.690 . 3.580 3.152 3.056 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 82 GLY H 1 87 LEU MD1 3.155 . 4.510 3.153 2.387 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 81 LEU HA 1 87 LEU MD1 3.650 . 5.500 4.470 3.514 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 30 VAL HA 1 30 VAL MG1 2.585 . 3.370 2.859 2.301 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 26 VAL H 1 26 VAL MG2 2.900 . 4.000 2.525 1.919 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 26 VAL HA 1 26 VAL MG2 2.525 . 3.250 2.413 2.208 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 49 LEU H 1 49 LEU MD2 3.270 . 4.740 3.961 3.165 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 17 LEU HA 1 17 LEU MD2 3.085 . 4.370 3.168 1.940 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 34 LEU HA 1 34 LEU MD2 3.215 . 4.630 2.236 1.948 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 78 LEU MD2 1 79 LEU H 3.650 . 5.500 3.481 3.162 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 26 VAL H 1 26 VAL MG1 2.900 . 4.000 3.332 1.952 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 26 VAL HA 1 26 VAL MG1 2.525 . 3.250 2.561 2.213 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 68 VAL MG1 1 79 LEU H 3.295 . 4.790 4.064 3.711 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 56 PHE QR 1 68 VAL MG1 2.750 . 3.700 3.215 2.701 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 68 VAL HA 1 68 VAL MG1 3.025 . 4.250 2.365 2.240 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 56 PHE HB2 1 68 VAL MG1 2.570 . 3.340 2.995 2.257 3.353 0.013 15 0 "[ . 1 . 2 . 3]" 1
850 1 56 PHE HB3 1 68 VAL MG1 2.510 . 3.220 2.254 1.881 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 57 ARG HB2 1 68 VAL MG1 3.650 . 5.500 5.022 4.632 5.493 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 68 VAL MG1 1 80 ARG HB3 3.525 . 5.250 5.182 4.714 5.268 0.018 26 0 "[ . 1 . 2 . 3]" 1
853 1 68 VAL MG2 1 80 ARG H 3.295 . 4.790 3.903 3.679 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 58 GLU HA 1 68 VAL MG2 2.880 . 3.960 2.669 2.134 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 67 LEU HA 1 68 VAL MG2 3.225 . 4.650 3.609 3.406 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 58 GLU HB2 1 68 VAL MG2 3.025 . 4.250 3.692 3.181 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 65 VAL MG1 1 66 LEU H 2.830 . 3.860 2.089 1.933 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 62 LYS H 1 65 VAL MG1 3.650 . 5.500 3.573 3.252 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 65 VAL HA 1 65 VAL MG1 2.590 . 3.380 2.322 2.258 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 65 VAL HA 1 65 VAL MG2 2.590 . 3.380 2.424 2.364 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 62 LYS QG 1 65 VAL MG2 3.040 . 4.280 2.534 1.867 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 27 LEU HA 1 30 VAL MG2 3.225 . 4.650 3.746 2.070 4.666 0.016 8 0 "[ . 1 . 2 . 3]" 1
863 1 30 VAL HA 1 30 VAL MG2 2.585 . 3.370 2.284 2.221 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 48 ALA MB 1 49 LEU HB2 3.650 . 5.500 4.745 4.225 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 48 ALA MB 1 49 LEU HG 3.650 . 5.500 4.999 4.587 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 1 MET ME 1 2 LEU H 3.080 . 4.360 3.605 2.188 4.365 0.005 2 0 "[ . 1 . 2 . 3]" 1
867 1 1 MET ME 1 2 LEU HA 3.650 . 5.500 4.747 3.218 5.503 0.003 5 0 "[ . 1 . 2 . 3]" 1
868 1 1 MET QB 1 1 MET ME 2.580 . 3.360 2.477 1.862 3.369 0.009 2 0 "[ . 1 . 2 . 3]" 1
869 1 61 ILE H 1 61 ILE MG 3.650 . 5.500 3.767 3.759 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 61 ILE MG 1 62 LYS H 2.850 . 3.900 3.680 3.291 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 61 ILE MG 1 62 LYS HA 3.560 . 5.320 4.042 3.690 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 61 ILE HA 1 61 ILE MG 2.365 . 2.930 2.328 2.242 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 61 ILE MG 1 62 LYS QG 3.305 . 4.810 2.671 2.101 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 32 LEU QD 1 61 ILE MG 3.285 . 4.770 4.591 4.026 4.798 0.028 1 0 "[ . 1 . 2 . 3]" 1
875 1 7 LYS H 1 77 ILE MD 3.400 . 5.000 4.837 4.374 5.003 0.003 8 0 "[ . 1 . 2 . 3]" 1
876 1 77 ILE H 1 77 ILE MD 2.890 . 3.980 3.634 3.483 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 70 LEU H 1 77 ILE MD 3.515 . 5.230 2.276 1.970 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 56 PHE QR 1 77 ILE MD 3.010 . 4.220 3.865 3.420 4.223 0.003 22 0 "[ . 1 . 2 . 3]" 1
879 1 70 LEU HA 1 77 ILE MD 3.065 . 4.330 4.010 3.874 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 69 TYR HB2 1 77 ILE MD 2.995 . 4.190 4.083 3.767 4.196 0.006 18 0 "[ . 1 . 2 . 3]" 1
881 1 7 LYS HB2 1 77 ILE MD 3.650 . 5.500 4.318 3.875 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 7 LYS HB3 1 77 ILE MD 3.650 . 5.500 4.889 4.431 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 77 ILE HB 1 77 ILE MD 2.850 . 3.900 2.083 2.048 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 7 LYS QG 1 77 ILE MD 2.920 . 4.040 2.462 2.039 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 70 LEU HB3 1 77 ILE MD 3.195 . 4.590 2.505 2.322 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 70 LEU HG 1 77 ILE MD 3.210 . 4.620 4.158 3.839 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 77 ILE MD 1 79 LEU HB2 3.455 . 5.110 3.735 3.277 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 77 ILE MD 1 79 LEU HG 3.545 . 5.290 3.997 2.638 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 31 ILE MG 1 35 ARG H 2.910 . 4.020 3.613 3.354 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 31 ILE H 1 31 ILE MG 2.770 . 3.740 3.611 3.468 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 28 ASN HA 1 31 ILE MG 3.025 . 4.250 3.703 3.188 4.258 0.008 26 0 "[ . 1 . 2 . 3]" 1
892 1 31 ILE MG 1 32 LEU HA 2.535 . 3.270 2.975 2.803 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 31 ILE HA 1 31 ILE MG 2.520 . 3.240 2.725 2.620 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 31 ILE MG 1 35 ARG QD 2.405 . 3.010 2.380 1.869 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 31 ILE MG 1 35 ARG HG2 2.740 . 3.680 3.438 3.101 3.680 0.000 18 0 "[ . 1 . 2 . 3]" 1
896 1 31 ILE MG 1 35 ARG HB2 3.585 . 5.370 3.187 2.439 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 31 ILE MG 1 36 LYS QG 3.650 . 5.500 5.455 5.076 5.554 0.054 19 0 "[ . 1 . 2 . 3]" 1
898 1 31 ILE MG 1 35 ARG HG3 3.585 . 5.370 2.025 1.886 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 77 ILE HA 1 77 ILE MG 2.175 . 2.550 2.360 2.293 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 5 ASN HB2 1 77 ILE MG 2.100 . 2.400 1.932 1.886 2.048 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 5 ASN HB3 1 77 ILE MG 2.560 . 3.320 2.538 2.166 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 72 LYS HB2 1 77 ILE MG 2.660 . 3.520 2.876 2.032 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 77 ILE HG13 1 77 ILE MG 2.660 . 3.520 2.732 2.613 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 70 LEU HB2 1 77 ILE MG 3.310 . 4.820 4.789 4.564 4.829 0.009 10 0 "[ . 1 . 2 . 3]" 1
905 1 31 ILE HA 1 31 ILE MD 2.175 . 2.550 2.401 2.025 2.560 0.010 27 0 "[ . 1 . 2 . 3]" 1
906 1 31 ILE H 1 31 ILE MD 2.100 . 2.400 2.166 1.930 2.407 0.007 4 0 "[ . 1 . 2 . 3]" 1
907 1 31 ILE HB 1 31 ILE MD 2.550 . 3.300 2.367 2.248 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 27 LEU MD1 1 31 ILE MD 2.550 . 3.300 2.214 1.795 2.827 0.005 14 0 "[ . 1 . 2 . 3]" 1
909 1 61 ILE H 1 61 ILE MD 2.100 . 2.400 1.985 1.893 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 61 ILE MD 1 66 LEU HA 3.065 . 4.330 3.451 2.684 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 59 CYS HB3 1 61 ILE MD 2.550 . 3.300 2.944 1.970 3.302 0.002 1 0 "[ . 1 . 2 . 3]" 1
912 1 61 ILE HB 1 61 ILE MD 2.100 . 2.400 2.106 2.049 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 61 ILE MD 1 67 LEU HG 2.535 . 3.270 3.241 3.022 3.310 0.040 27 0 "[ . 1 . 2 . 3]" 1
914 1 61 ILE MD 1 61 ILE MG 2.535 . 3.270 3.063 2.897 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 61 ILE MD 1 67 LEU HB3 2.535 . 3.270 2.053 1.795 3.127 0.005 14 0 "[ . 1 . 2 . 3]" 1
916 1 2 LEU HA 1 2 LEU QD 2.845 . 3.890 2.679 1.968 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 2 LEU QB 1 76 LEU QB 3.380 . 4.960 2.600 2.025 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 2 LEU QD 1 3 LYS H 3.365 . 4.930 3.353 2.819 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 2 LEU QD 1 71 VAL HA 3.620 . 5.440 4.802 4.080 5.440 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 2 LEU QD 1 75 GLU H 3.620 . 5.440 4.026 3.064 5.283 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 2 LEU QD 1 75 GLU HA 3.620 . 5.440 3.494 2.428 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 2 LEU QD 1 76 LEU HA 3.620 . 5.440 4.280 3.751 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 2 LEU QD 1 76 LEU QD 2.515 . 3.230 2.598 1.797 3.101 0.003 7 0 "[ . 1 . 2 . 3]" 1
924 1 3 LYS HA 1 3 LYS QG 2.485 . 3.170 2.134 2.020 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 3 LYS HA 1 75 GLU QG 3.415 . 5.030 4.405 4.070 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 3 LYS QD 1 75 GLU QG 3.060 . 4.320 3.870 3.365 4.322 0.002 5 0 "[ . 1 . 2 . 3]" 1
927 1 3 LYS QE 1 4 LEU QB 3.570 . 5.340 5.315 5.168 5.358 0.018 8 0 "[ . 1 . 2 . 3]" 1
928 1 3 LYS QE 1 75 GLU QG 2.570 . 3.340 2.274 1.842 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 4 LEU H 1 4 LEU QD 3.070 . 4.340 3.824 3.681 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 4 LEU HG 1 78 LEU QD 3.620 . 5.440 2.729 2.147 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 4 LEU QD 1 5 ASN H 2.775 . 3.750 2.819 2.342 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 4 LEU QD 1 6 LEU HA 3.620 . 5.440 4.261 3.788 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 4 LEU QD 1 78 LEU HB2 2.925 . 4.050 3.882 3.535 4.050 0.000 19 0 "[ . 1 . 2 . 3]" 1
934 1 4 LEU QD 1 78 LEU QD 2.655 . 3.510 1.871 1.786 2.071 0.014 5 0 "[ . 1 . 2 . 3]" 1
935 1 5 ASN HA 1 6 LEU QD 3.200 . 4.600 3.425 2.441 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 6 LEU H 1 6 LEU QD 2.875 . 3.950 3.213 2.446 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 6 LEU HA 1 6 LEU QD 2.475 . 3.150 2.687 1.967 3.136 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 6 LEU HA 1 78 LEU QD 3.615 . 5.430 3.500 3.127 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 6 LEU HB2 1 78 LEU QD 3.620 . 5.440 5.135 4.780 5.443 0.003 5 0 "[ . 1 . 2 . 3]" 1
940 1 6 LEU QD 1 10 PHE QD 2.485 . 3.170 2.270 1.835 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 6 LEU QD 1 11 GLN QG 3.480 . 5.160 3.363 2.476 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 7 LYS HA 1 7 LYS QD 2.660 . 3.520 2.519 1.980 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 7 LYS HA 1 8 LYS QB 3.570 . 5.340 4.433 4.160 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 7 LYS QB 1 10 PHE H 2.520 . 3.240 2.767 2.623 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 7 LYS QB 1 10 PHE HB3 2.890 . 3.980 3.576 3.089 3.987 0.007 27 0 "[ . 1 . 2 . 3]" 1
946 1 7 LYS QD 1 77 ILE MD 2.935 . 4.070 3.388 2.644 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 8 LYS H 1 8 LYS QB 2.435 . 3.070 2.246 2.043 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 8 LYS HA 1 11 GLN QB 3.270 . 4.740 2.823 2.444 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 10 PHE HA 1 13 ASP QB 2.545 . 3.290 2.267 1.962 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 10 PHE HB3 1 11 GLN QB 3.570 . 5.340 4.686 4.533 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 10 PHE QD 1 67 LEU QD 2.900 . 4.000 2.731 2.393 3.077 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 10 PHE QD 1 80 ARG QD 3.430 . 5.060 5.003 4.650 5.095 0.035 23 0 "[ . 1 . 2 . 3]" 1
953 1 10 PHE QE 1 67 LEU QD 2.465 . 3.130 1.953 1.794 2.577 0.006 21 0 "[ . 1 . 2 . 3]" 1
954 1 12 LYS H 1 12 LYS QG 2.475 . 3.150 2.332 1.939 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 12 LYS HA 1 12 LYS QG 2.710 . 3.620 2.798 2.088 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 12 LYS HA 1 15 ASP QB 3.305 . 4.810 4.155 2.581 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 13 ASP H 1 13 ASP QB 2.510 . 3.220 2.264 2.156 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 13 ASP QB 1 17 LEU QD 3.335 . 4.870 3.022 2.061 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 13 ASP QB 1 80 ARG HA 2.815 . 3.830 3.230 2.980 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 13 ASP QB 1 81 LEU H 2.510 . 3.220 2.031 1.884 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 13 ASP QB 1 81 LEU QB 2.875 . 3.950 2.264 1.848 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 14 PHE HA 1 17 LEU QB 3.385 . 4.970 3.352 2.043 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 14 PHE HA 1 17 LEU QD 3.620 . 5.440 3.795 2.875 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 15 ASP H 1 15 ASP QB 2.340 . 2.880 2.236 2.039 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 15 ASP HA 1 15 ASP QB 2.180 . 2.560 2.471 2.339 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 15 ASP HA 1 18 LEU QD 2.450 . 3.100 2.146 1.769 3.165 0.065 2 0 "[ . 1 . 2 . 3]" 1
967 1 15 ASP QB 1 16 LYS H 2.790 . 3.780 2.699 2.317 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 15 ASP QB 1 16 LYS HB2 3.080 . 4.360 4.069 3.712 4.372 0.012 24 0 "[ . 1 . 2 . 3]" 1
969 1 15 ASP QB 1 16 LYS QE 3.195 . 4.590 4.195 2.845 4.596 0.006 12 0 "[ . 1 . 2 . 3]" 1
970 1 16 LYS H 1 17 LEU QB 3.220 . 4.640 4.232 3.990 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 17 LEU H 1 17 LEU QB 2.170 . 2.540 2.178 2.068 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 17 LEU H 1 17 LEU QD 2.970 . 4.140 3.746 3.665 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 17 LEU H 1 18 LEU QD 2.565 . 3.330 3.367 3.288 3.456 0.126 22 0 "[ . 1 . 2 . 3]" 1
974 1 17 LEU HA 1 17 LEU QD 2.400 . 3.000 2.188 1.934 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 17 LEU HA 1 20 ASN QB 2.630 . 3.460 2.376 2.040 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 17 LEU QB 1 18 LEU H 3.070 . 4.340 2.662 2.420 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 17 LEU QB 1 18 LEU QD 2.885 . 3.970 2.657 2.149 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 17 LEU QB 1 22 PHE QB 2.700 . 3.600 3.380 2.460 3.657 0.057 18 0 "[ . 1 . 2 . 3]" 1
979 1 17 LEU QB 1 22 PHE QD 3.170 . 4.540 4.044 2.994 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 17 LEU QD 1 18 LEU H 3.475 . 5.150 3.840 3.451 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 17 LEU QD 1 18 LEU QD 3.275 . 4.750 3.222 2.668 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 17 LEU QD 1 22 PHE QB 2.350 . 2.900 2.128 1.776 2.508 0.024 2 0 "[ . 1 . 2 . 3]" 1
983 1 17 LEU QD 1 22 PHE QD 2.325 . 2.850 2.523 2.190 2.861 0.011 25 0 "[ . 1 . 2 . 3]" 1
984 1 17 LEU QD 1 81 LEU QB 3.255 . 4.710 3.142 2.718 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 17 LEU QD 1 81 LEU HG 2.920 . 4.040 3.966 3.290 4.055 0.015 23 0 "[ . 1 . 2 . 3]" 1
986 1 17 LEU QD 1 81 LEU MD1 3.015 . 4.230 2.138 1.793 2.674 0.007 25 0 "[ . 1 . 2 . 3]" 1
987 1 17 LEU QD 1 81 LEU MD2 3.345 . 4.890 4.222 3.623 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 17 LEU QD 1 82 GLY H 3.590 . 5.380 4.500 4.029 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 17 LEU QD 1 82 GLY HA3 3.620 . 5.440 4.316 3.643 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 18 LEU H 1 18 LEU QD 2.390 . 2.980 1.959 1.764 2.421 0.036 2 0 "[ . 1 . 2 . 3]" 1
991 1 18 LEU HA 1 18 LEU QD 2.270 . 2.740 2.155 1.797 2.788 0.048 25 0 "[ . 1 . 2 . 3]" 1
992 1 18 LEU HA 1 22 PHE QB 2.680 . 3.560 1.964 1.863 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 18 LEU QD 1 22 PHE QB 2.650 . 3.500 2.867 2.324 3.525 0.025 22 0 "[ . 1 . 2 . 3]" 1
994 1 18 LEU QD 1 22 PHE QD 2.950 . 4.100 2.006 1.763 2.512 0.037 24 0 "[ . 1 . 2 . 3]" 1
995 1 18 LEU QD 1 24 ASP HA 2.390 . 2.980 2.519 1.881 3.014 0.034 15 0 "[ . 1 . 2 . 3]" 1
996 1 18 LEU QD 1 24 ASP HB2 3.250 . 4.700 2.898 2.036 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 18 LEU QD 1 27 LEU H 3.340 . 4.880 4.302 3.737 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 18 LEU QD 1 27 LEU MD1 2.615 . 3.430 3.375 3.084 3.478 0.048 18 0 "[ . 1 . 2 . 3]" 1
999 1 18 LEU QD 1 27 LEU MD2 3.180 . 4.560 1.797 1.726 2.044 0.074 5 0 "[ . 1 . 2 . 3]" 1
1000 1 19 LEU H 1 19 LEU QB 2.240 . 2.680 2.396 2.098 2.690 0.010 27 0 "[ . 1 . 2 . 3]" 1
1001 1 19 LEU QB 1 20 ASN H 2.980 . 4.160 3.413 2.696 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 20 ASN H 1 20 ASN QB 2.270 . 2.740 2.304 2.051 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 21 GLY H 1 22 PHE QB 3.570 . 5.340 4.109 3.583 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 22 PHE HA 1 23 ASP QB 3.065 . 4.330 4.046 3.970 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 23 ASP H 1 23 ASP QB 2.365 . 2.930 2.228 2.097 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 26 VAL H 1 26 VAL QG 2.340 . 2.880 2.066 1.914 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 26 VAL HA 1 29 GLU QG 3.570 . 5.340 3.306 2.411 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 26 VAL QG 1 29 GLU HB2 2.915 . 4.030 3.325 2.815 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 26 VAL QG 1 30 VAL H 3.620 . 5.440 4.251 3.766 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 26 VAL QG 1 30 VAL QG 2.875 . 3.950 3.260 2.462 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 26 VAL QG 1 62 LYS QG 3.065 . 4.330 3.695 2.469 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 26 VAL QG 1 62 LYS QE 2.880 . 3.960 3.251 2.000 3.961 0.001 6 0 "[ . 1 . 2 . 3]" 1
1013 1 26 VAL QG 1 65 VAL QG 2.740 . 3.680 2.582 1.956 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 27 LEU HA 1 30 VAL QG 2.710 . 3.620 2.138 1.904 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 27 LEU MD1 1 30 VAL QG 2.820 . 3.840 3.585 2.974 3.876 0.036 24 0 "[ . 1 . 2 . 3]" 1
1016 1 28 ASN HB2 1 29 GLU QG 3.430 . 5.060 4.767 4.242 5.063 0.003 22 0 "[ . 1 . 2 . 3]" 1
1017 1 28 ASN HB3 1 29 GLU QG 2.860 . 3.920 3.512 3.295 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 29 GLU HA 1 29 GLU QG 2.460 . 3.120 2.329 2.142 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 29 GLU HB2 1 30 VAL QG 3.275 . 4.750 3.765 3.305 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 29 GLU QG 1 30 VAL H 3.435 . 5.070 4.272 3.977 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 30 VAL H 1 30 VAL QG 2.310 . 2.820 2.132 1.912 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 30 VAL HA 1 30 VAL QG 2.375 . 2.950 2.163 2.047 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 30 VAL QG 1 31 ILE H 2.825 . 3.850 2.213 1.856 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 30 VAL QG 1 31 ILE HB 2.960 . 4.120 3.652 3.205 4.146 0.026 3 0 "[ . 1 . 2 . 3]" 1
1025 1 30 VAL QG 1 31 ILE MG 3.620 . 5.440 4.354 4.120 4.709 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 30 VAL QG 1 33 THR H 3.500 . 5.200 4.280 3.945 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 30 VAL QG 1 33 THR HB 3.620 . 5.440 3.784 3.435 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 30 VAL QG 1 34 LEU HG 2.960 . 4.120 3.101 2.567 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 30 VAL QG 1 34 LEU QD 2.635 . 3.470 2.291 1.794 2.821 0.006 29 0 "[ . 1 . 2 . 3]" 1
1030 1 30 VAL QG 1 61 ILE HA 3.460 . 5.120 4.283 4.046 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 30 VAL QG 1 61 ILE MG 3.265 . 4.730 1.998 1.798 2.497 0.002 12 0 "[ . 1 . 2 . 3]" 1
1032 1 31 ILE HA 1 34 LEU QD 2.550 . 3.300 2.555 1.863 3.302 0.002 19 0 "[ . 1 . 2 . 3]" 1
1033 1 31 ILE MD 1 67 LEU QD 2.900 . 4.000 3.713 2.797 4.020 0.020 15 0 "[ . 1 . 2 . 3]" 1
1034 1 32 LEU QB 1 36 LYS QE 2.910 . 4.020 3.812 2.495 4.096 0.076 28 0 "[ . 1 . 2 . 3]" 1
1035 1 33 THR HA 1 36 LYS QB 2.960 . 4.120 3.002 1.907 4.125 0.005 13 0 "[ . 1 . 2 . 3]" 1
1036 1 33 THR HB 1 40 LEU QD 2.970 . 4.140 4.061 3.655 4.153 0.013 29 0 "[ . 1 . 2 . 3]" 1
1037 1 33 THR MG 1 34 LEU QD 2.635 . 3.470 3.175 2.741 3.479 0.009 23 0 "[ . 1 . 2 . 3]" 1
1038 1 33 THR MG 1 40 LEU QD 2.595 . 3.390 2.775 2.000 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 34 LEU H 1 34 LEU QD 2.460 . 3.120 3.051 2.721 3.129 0.009 4 0 "[ . 1 . 2 . 3]" 1
1040 1 34 LEU HA 1 34 LEU QD 2.490 . 3.180 2.221 1.943 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 34 LEU QD 1 35 ARG H 3.620 . 5.440 4.035 3.556 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 34 LEU QD 1 61 ILE HA 3.605 . 5.410 4.948 4.087 5.422 0.012 13 0 "[ . 1 . 2 . 3]" 1
1043 1 34 LEU QD 1 61 ILE MG 3.370 . 4.940 3.295 2.625 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 34 LEU QD 1 61 ILE MD 2.325 . 2.850 2.557 2.160 2.852 0.002 3 0 "[ . 1 . 2 . 3]" 1
1045 1 34 LEU QD 1 67 LEU HB3 3.000 . 4.200 3.639 2.378 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 34 LEU QD 1 67 LEU QD 3.360 . 4.920 2.010 1.791 2.927 0.009 20 0 "[ . 1 . 2 . 3]" 1
1047 1 34 LEU QD 1 78 LEU QD 3.235 . 4.670 2.621 1.961 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 36 LYS H 1 36 LYS QB 2.600 . 3.400 2.369 2.110 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 36 LYS QB 1 36 LYS QD 2.550 . 3.300 2.042 1.921 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 36 LYS QB 1 37 LYS H 2.690 . 3.580 3.103 2.406 3.699 0.119 20 0 "[ . 1 . 2 . 3]" 1
1051 1 36 LYS QB 1 37 LYS QG 3.310 . 4.820 3.182 2.335 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 37 LYS QB 1 37 LYS QE 3.570 . 5.340 3.103 2.097 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 38 GLU HA 1 39 PRO QG 3.390 . 4.980 3.881 3.817 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 38 GLU QG 1 39 PRO QG 3.030 . 4.260 3.758 2.860 4.262 0.002 3 0 "[ . 1 . 2 . 3]" 1
1055 1 39 PRO HA 1 40 LEU QD 3.620 . 5.440 4.026 2.846 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 39 PRO QB 1 40 LEU H 2.725 . 3.650 2.885 2.223 3.663 0.013 7 0 "[ . 1 . 2 . 3]" 1
1057 1 40 LEU H 1 40 LEU QD 2.855 . 3.910 3.004 2.066 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 40 LEU HA 1 40 LEU QD 2.990 . 4.180 2.450 1.965 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 40 LEU HB2 1 40 LEU QD 2.320 . 2.840 2.081 1.940 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 40 LEU QD 1 44 PHE HB3 3.620 . 5.440 3.700 3.142 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 40 LEU QD 1 44 PHE QD 3.620 . 5.440 2.732 1.939 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 40 LEU QD 1 46 ASP HB3 3.135 . 4.470 3.748 3.153 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 40 LEU QD 1 59 CYS HB2 3.190 . 4.580 3.664 2.789 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 40 LEU QD 1 59 CYS HB3 3.040 . 4.280 3.392 2.343 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 41 ASP QB 1 42 PRO QB 3.425 . 5.050 4.567 4.482 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 41 ASP QB 1 42 PRO QD 2.300 . 2.800 1.986 1.948 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 41 ASP QB 1 43 GLN QG 2.710 . 3.620 2.660 2.058 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 43 GLN H 1 43 GLN QB 2.365 . 2.930 2.561 2.260 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 43 GLN H 1 43 GLN QG 2.315 . 2.830 2.249 1.980 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 43 GLN HA 1 43 GLN QG 2.650 . 3.500 2.997 2.199 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 43 GLN HA 1 45 GLN QG 3.570 . 5.340 4.348 3.195 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 43 GLN QB 1 43 GLN QE 2.750 . 3.700 2.532 1.966 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 43 GLN QB 1 44 PHE HA 3.570 . 5.340 4.318 3.931 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 43 GLN QB 1 44 PHE QD 3.570 . 5.340 3.797 2.769 5.341 0.001 2 0 "[ . 1 . 2 . 3]" 1
1075 1 43 GLN QE 1 43 GLN QG 2.450 . 3.100 2.359 2.081 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 43 GLN QG 1 44 PHE H 3.500 . 5.200 3.537 2.168 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 43 GLN QG 1 44 PHE QD 3.570 . 5.340 3.479 1.980 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 43 GLN QE 1 45 GLN QE 3.165 . 4.530 4.328 3.624 4.532 0.002 20 0 "[ . 1 . 2 . 3]" 1
1079 1 44 PHE HA 1 45 GLN QB 3.570 . 5.340 4.229 3.935 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 45 GLN HA 1 45 GLN QG 2.680 . 3.560 2.707 2.193 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 45 GLN QB 1 60 HIS QB 3.570 . 5.340 3.165 2.334 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 45 GLN QE 1 45 GLN QG 2.465 . 3.130 2.117 2.067 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 45 GLN QG 1 60 HIS QB 3.570 . 5.340 4.019 2.640 5.344 0.004 1 0 "[ . 1 . 2 . 3]" 1
1084 1 46 ASP HA 1 47 HIS QB 3.570 . 5.340 4.552 4.052 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 46 ASP HA 1 57 ARG QG 2.970 . 4.140 3.921 3.685 4.146 0.006 13 0 "[ . 1 . 2 . 3]" 1
1086 1 46 ASP HA 1 57 ARG QD 3.570 . 5.340 4.759 4.126 5.348 0.008 23 0 "[ . 1 . 2 . 3]" 1
1087 1 46 ASP HB3 1 57 ARG QG 3.570 . 5.340 4.874 4.198 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 47 HIS HA 1 57 ARG QG 3.570 . 5.340 3.177 2.733 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 47 HIS HA 1 57 ARG QD 3.090 . 4.380 2.992 2.001 4.382 0.002 27 0 "[ . 1 . 2 . 3]" 1
1090 1 47 HIS QB 1 48 ALA H 2.335 . 2.870 2.078 1.976 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 47 HIS QB 1 48 ALA MB 3.570 . 5.340 3.717 3.539 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 48 ALA HA 1 57 ARG QG 2.915 . 4.030 3.196 2.603 4.033 0.003 15 0 "[ . 1 . 2 . 3]" 1
1093 1 48 ALA HA 1 57 ARG QD 3.570 . 5.340 4.070 2.423 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 48 ALA MB 1 57 ARG QD 3.570 . 5.340 3.984 2.542 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 49 LEU H 1 49 LEU QD 2.950 . 4.100 2.797 1.916 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 49 LEU HA 1 49 LEU QD 2.600 . 3.400 2.619 1.970 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 49 LEU HB2 1 49 LEU QD 2.450 . 3.100 2.097 1.926 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 49 LEU HB3 1 58 GLU QG 3.570 . 5.340 5.225 4.862 5.345 0.005 29 0 "[ . 1 . 2 . 3]" 1
1099 1 49 LEU QD 1 50 LYS H 2.985 . 4.170 3.169 2.316 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 49 LEU QD 1 53 TRP H 3.620 . 5.440 4.514 4.031 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 49 LEU QD 1 53 TRP HB2 2.400 . 3.000 2.550 2.149 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 49 LEU QD 1 53 TRP HB3 3.025 . 4.250 2.316 1.878 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 49 LEU QD 1 56 PHE HB2 3.255 . 4.710 3.243 1.867 4.711 0.001 13 0 "[ . 1 . 2 . 3]" 1
1104 1 49 LEU QD 1 58 GLU HB2 2.850 . 3.900 2.120 1.829 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 49 LEU QD 1 58 GLU HB3 3.105 . 4.410 3.151 2.548 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 50 LYS H 1 50 LYS QB 2.355 . 2.910 2.699 2.353 2.918 0.008 27 0 "[ . 1 . 2 . 3]" 1
1107 1 50 LYS QB 1 51 GLY H 2.385 . 2.970 2.422 2.060 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 52 LYS H 1 52 LYS QG 3.570 . 5.340 3.457 2.143 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 52 LYS QG 1 53 TRP H 3.570 . 5.340 4.402 3.844 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 55 PRO QB 1 70 LEU QD 3.540 . 5.280 3.507 2.702 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 55 PRO QG 1 70 LEU QD 3.540 . 5.280 4.401 3.396 5.137 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 55 PRO QD 1 56 PHE H 3.350 . 4.900 3.135 2.670 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 55 PRO QD 1 56 PHE QR 3.495 . 5.190 2.780 1.942 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 56 PHE HA 1 70 LEU QD 2.885 . 3.970 2.274 1.831 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 57 ARG HB3 1 71 VAL QG 3.235 . 4.670 3.935 2.989 4.676 0.006 5 0 "[ . 1 . 2 . 3]" 1
1116 1 57 ARG HE 1 57 ARG QG 2.650 . 3.500 2.521 2.105 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 57 ARG QG 1 59 CYS HB2 3.570 . 5.340 4.091 3.708 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 57 ARG QG 1 68 VAL MG1 3.570 . 5.340 4.875 4.416 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 57 ARG QD 1 71 VAL QG 3.400 . 5.000 3.593 2.121 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 58 GLU HA 1 58 GLU QG 2.765 . 3.730 2.278 2.136 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 58 GLU QG 1 59 CYS HA 3.570 . 5.340 4.381 3.457 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 58 GLU QG 1 66 LEU HB2 3.505 . 5.210 3.612 2.968 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 58 GLU QG 1 66 LEU MD1 2.970 . 4.140 3.970 3.405 4.149 0.009 13 0 "[ . 1 . 2 . 3]" 1
1124 1 58 GLU QG 1 68 VAL MG1 3.570 . 5.340 3.804 3.249 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 58 GLU QG 1 68 VAL MG2 3.020 . 4.240 2.234 1.804 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 61 ILE H 1 61 ILE QG 2.570 . 3.340 2.577 2.294 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 61 ILE MG 1 65 VAL QG 3.620 . 5.440 3.721 3.465 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 61 ILE QG 1 65 VAL QG 3.350 . 4.900 3.961 3.573 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 61 ILE MD 1 67 LEU QD 2.500 . 3.200 2.361 1.882 3.208 0.008 9 0 "[ . 1 . 2 . 3]" 1
1130 1 62 LYS H 1 65 VAL QG 3.215 . 4.630 3.236 2.965 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 62 LYS HA 1 63 PRO QD 2.315 . 2.830 2.128 2.037 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 62 LYS QB 1 62 LYS QE 2.730 . 3.660 2.735 1.935 3.674 0.014 2 0 "[ . 1 . 2 . 3]" 1
1133 1 62 LYS QB 1 63 PRO QB 3.265 . 4.730 4.329 4.182 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 62 LYS QB 1 63 PRO QD 2.340 . 2.880 1.890 1.785 1.950 0.015 4 0 "[ . 1 . 2 . 3]" 1
1135 1 62 LYS QB 1 65 VAL QG 3.015 . 4.230 2.209 1.830 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 62 LYS QG 1 63 PRO QD 2.995 . 4.190 3.269 2.327 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 62 LYS QG 1 65 VAL QG 2.705 . 3.610 2.479 1.855 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 62 LYS QD 1 65 VAL QG 3.105 . 4.410 2.888 1.801 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 62 LYS QE 1 63 PRO QD 3.575 . 5.350 3.376 1.966 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 65 VAL H 1 65 VAL QG 2.660 . 3.520 2.818 2.711 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 65 VAL HA 1 65 VAL QG 2.310 . 2.820 2.109 2.066 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 65 VAL QG 1 66 LEU H 2.340 . 2.880 2.080 1.928 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 65 VAL QG 1 66 LEU HA 3.225 . 4.650 3.352 3.153 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 65 VAL QG 1 67 LEU H 2.950 . 4.100 3.345 2.777 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 65 VAL QG 1 81 LEU HA 3.200 . 4.600 4.466 4.114 4.605 0.005 29 0 "[ . 1 . 2 . 3]" 1
1146 1 65 VAL QG 1 81 LEU MD2 3.125 . 4.450 2.060 1.796 2.394 0.004 23 0 "[ . 1 . 2 . 3]" 1
1147 1 65 VAL QG 1 82 GLY H 2.880 . 3.960 3.767 3.383 3.966 0.006 6 0 "[ . 1 . 2 . 3]" 1
1148 1 65 VAL QG 1 82 GLY HA3 3.620 . 5.440 5.306 4.893 5.447 0.007 2 0 "[ . 1 . 2 . 3]" 1
1149 1 66 LEU HB2 1 87 LEU QD 2.835 . 3.870 2.138 1.826 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 66 LEU MD1 1 84 HIS QB 3.050 . 4.300 3.437 2.845 4.304 0.004 24 0 "[ . 1 . 2 . 3]" 1
1151 1 66 LEU MD2 1 84 HIS QB 3.225 . 4.650 3.423 2.453 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 67 LEU H 1 67 LEU QD 2.830 . 3.860 3.638 3.303 3.862 0.002 14 0 "[ . 1 . 2 . 3]" 1
1153 1 67 LEU HB2 1 67 LEU QD 2.400 . 3.000 2.154 1.950 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 67 LEU QD 1 68 VAL H 3.330 . 4.860 2.192 1.842 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 67 LEU QD 1 69 TYR HA 3.620 . 5.440 3.632 3.137 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 67 LEU QD 1 69 TYR HB3 2.490 . 3.180 2.580 1.855 3.194 0.014 14 0 "[ . 1 . 2 . 3]" 1
1157 1 67 LEU QD 1 69 TYR QR 2.735 . 3.670 2.742 1.880 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 67 LEU QD 1 78 LEU HB3 2.925 . 4.050 2.723 2.148 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 67 LEU QD 1 78 LEU QD 3.170 . 4.540 1.964 1.799 2.332 0.001 4 0 "[ . 1 . 2 . 3]" 1
1160 1 67 LEU QD 1 80 ARG H 3.140 . 4.480 2.853 2.616 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 67 LEU QD 1 80 ARG HA 2.830 . 3.860 3.875 3.862 3.901 0.041 18 0 "[ . 1 . 2 . 3]" 1
1162 1 67 LEU QD 1 81 LEU HA 3.620 . 5.440 2.848 2.415 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 67 LEU QD 1 81 LEU MD2 2.770 . 3.740 2.356 1.897 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 68 VAL HB 1 87 LEU QD 3.620 . 5.440 4.429 3.808 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 68 VAL MG1 1 79 LEU QD 3.190 . 4.580 2.674 1.799 3.424 0.001 13 0 "[ . 1 . 2 . 3]" 1
1166 1 68 VAL MG2 1 80 ARG QG 2.840 . 3.880 2.673 2.206 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 68 VAL MG2 1 87 LEU QD 2.865 . 3.930 2.530 2.078 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 69 TYR HA 1 70 LEU QD 3.525 . 5.250 4.533 4.056 5.118 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 69 TYR HA 1 76 LEU QD 3.620 . 5.440 4.601 4.077 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 69 TYR HA 1 78 LEU QD 3.115 . 4.430 3.775 3.346 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 69 TYR HA 1 79 LEU QD 2.960 . 4.120 2.799 2.208 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 69 TYR HB2 1 76 LEU QD 2.445 . 3.090 2.765 2.056 3.093 0.003 30 0 "[ . 1 . 2 . 3]" 1
1173 1 69 TYR HB2 1 78 LEU QD 2.435 . 3.070 2.800 2.445 3.076 0.006 21 0 "[ . 1 . 2 . 3]" 1
1174 1 69 TYR HB3 1 76 LEU QD 2.960 . 4.120 3.542 2.987 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 69 TYR HB3 1 78 LEU QD 2.520 . 3.240 2.361 2.137 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 69 TYR QR 1 76 LEU QD 2.560 . 3.320 2.038 1.796 2.866 0.004 1 0 "[ . 1 . 2 . 3]" 1
1177 1 69 TYR QR 1 78 LEU QD 2.825 . 3.850 3.392 2.542 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 70 LEU H 1 76 LEU QD 2.995 . 4.190 3.856 3.429 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 70 LEU H 1 79 LEU QD 3.620 . 5.440 2.940 2.071 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 70 LEU HA 1 70 LEU QD 2.285 . 2.770 2.205 1.935 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 70 LEU HA 1 71 VAL QG 3.620 . 5.440 3.317 3.056 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 70 LEU HB3 1 79 LEU QD 2.825 . 3.850 3.571 3.213 3.856 0.006 9 0 "[ . 1 . 2 . 3]" 1
1183 1 70 LEU QD 1 71 VAL H 2.810 . 3.820 2.733 1.848 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 70 LEU QD 1 72 LYS HB2 3.620 . 5.440 4.904 4.232 5.442 0.002 9 0 "[ . 1 . 2 . 3]" 1
1185 1 70 LEU QD 1 77 ILE MD 2.840 . 3.880 2.501 2.206 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 70 LEU QD 1 79 LEU HG 3.275 . 4.750 3.837 3.132 4.757 0.007 15 0 "[ . 1 . 2 . 3]" 1
1187 1 70 LEU QD 1 79 LEU QD 2.620 . 3.440 2.279 1.848 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 71 VAL H 1 71 VAL QG 2.235 . 2.670 2.481 1.957 2.672 0.002 26 0 "[ . 1 . 2 . 3]" 1
1189 1 71 VAL HA 1 71 VAL QG 2.255 . 2.710 2.125 2.035 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 71 VAL HA 1 76 LEU QB 3.355 . 4.910 4.154 3.533 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 71 VAL HA 1 76 LEU QD 3.370 . 4.940 2.622 1.866 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 71 VAL QG 1 72 LYS H 2.425 . 3.050 2.766 1.870 3.056 0.006 11 0 "[ . 1 . 2 . 3]" 1
1193 1 71 VAL QG 1 73 ASP H 3.620 . 5.440 4.972 4.275 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 71 VAL QG 1 77 ILE H 3.620 . 5.440 4.582 4.052 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 72 LYS HA 1 72 LYS QG 2.615 . 3.430 2.254 2.021 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 72 LYS QE 1 72 LYS QG 2.470 . 3.140 2.119 1.944 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 72 LYS QG 1 73 ASP QB 3.285 . 4.770 3.892 2.967 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 72 LYS QG 1 77 ILE MG 2.640 . 3.480 3.334 2.867 3.490 0.010 11 0 "[ . 1 . 2 . 3]" 1
1199 1 74 ASP QB 1 75 GLU QG 3.570 . 5.340 3.363 2.818 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 75 GLU H 1 75 GLU QG 3.570 . 5.340 3.488 3.125 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 75 GLU HA 1 75 GLU QG 2.425 . 3.050 2.345 2.150 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 76 LEU H 1 76 LEU QB 2.190 . 2.580 2.468 2.241 2.593 0.013 13 0 "[ . 1 . 2 . 3]" 1
1203 1 76 LEU H 1 76 LEU QD 3.055 . 4.310 3.837 3.690 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 76 LEU HA 1 76 LEU QD 2.655 . 3.510 2.596 1.950 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 76 LEU QD 1 77 ILE H 2.405 . 3.010 2.952 2.528 3.021 0.011 24 0 "[ . 1 . 2 . 3]" 1
1206 1 76 LEU QD 1 78 LEU QD 2.965 . 4.130 2.655 2.077 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 77 ILE HA 1 78 LEU QD 3.325 . 4.850 4.151 3.838 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 77 ILE HG12 1 79 LEU QD 2.950 . 4.100 4.092 3.953 4.109 0.009 28 0 "[ . 1 . 2 . 3]" 1
1209 1 77 ILE MD 1 79 LEU QD 2.840 . 3.880 1.914 1.828 2.016 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 78 LEU H 1 78 LEU QD 2.990 . 4.180 3.117 2.928 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 78 LEU HA 1 78 LEU QD 2.425 . 3.050 2.045 1.941 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 79 LEU HA 1 79 LEU QD 3.115 . 4.430 2.173 1.827 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 80 ARG HA 1 80 ARG QG 2.600 . 3.400 3.382 3.168 3.424 0.024 24 0 "[ . 1 . 2 . 3]" 1
1214 1 80 ARG HA 1 80 ARG QD 3.535 . 5.270 3.794 2.673 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 80 ARG HB2 1 80 ARG QD 2.745 . 3.690 2.553 1.963 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 80 ARG QG 1 87 LEU QD 2.935 . 4.070 3.436 2.257 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 81 LEU MD1 1 87 LEU QD 3.160 . 4.520 4.295 3.959 4.523 0.003 1 0 "[ . 1 . 2 . 3]" 1
1218 1 82 GLY H 1 86 GLU QB 3.570 . 5.340 5.304 4.996 5.356 0.016 15 0 "[ . 1 . 2 . 3]" 1
1219 1 82 GLY H 1 87 LEU QD 2.780 . 3.760 3.066 2.377 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 82 GLY HA2 1 87 LEU QD 3.060 . 4.320 3.247 2.892 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 82 GLY HA3 1 87 LEU QD 2.865 . 3.930 2.024 1.813 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 83 SER H 1 83 SER QB 2.665 . 3.530 2.814 2.307 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 83 SER H 1 86 GLU QB 2.775 . 3.750 1.958 1.861 2.072 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 83 SER QB 1 84 HIS H 2.455 . 3.110 2.316 1.974 3.111 0.001 3 0 "[ . 1 . 2 . 3]" 1
1225 1 83 SER QB 1 85 SER H 3.570 . 5.340 2.533 2.287 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 84 HIS H 1 84 HIS QB 2.415 . 3.030 2.166 2.074 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 84 HIS QB 1 85 SER H 2.640 . 3.480 2.926 2.760 3.508 0.028 15 0 "[ . 1 . 2 . 3]" 1
1228 1 86 GLU H 1 86 GLU QB 2.330 . 2.860 2.186 2.066 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 86 GLU QB 1 87 LEU H 2.680 . 3.560 2.047 1.946 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 86 GLU QB 1 87 LEU QD 2.475 . 3.150 2.704 2.093 3.156 0.006 23 0 "[ . 1 . 2 . 3]" 1
1231 1 87 LEU H 1 87 LEU QD 2.495 . 3.190 2.563 1.892 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 87 LEU HA 1 87 LEU QD 2.760 . 3.720 2.351 1.947 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 87 LEU HB2 1 87 LEU QD 2.440 . 3.080 2.177 1.944 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 88 PHE H 1 88 PHE QB 2.355 . 2.910 2.349 2.251 2.467 . 0 0 "[ . 1 . 2 . 3]" 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 10
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 9.186
_Distance_constraint_stats_list.Viol_max 0.027
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0109
_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 57 ARG 0.009 0.004 10 0 "[ . 1 . 2 . 3]"
1 59 CYS 0.005 0.005 29 0 "[ . 1 . 2 . 3]"
1 66 LEU 0.005 0.005 13 0 "[ . 1 . 2 . 3]"
1 67 LEU 0.005 0.005 29 0 "[ . 1 . 2 . 3]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 TYR 0.009 0.004 10 0 "[ . 1 . 2 . 3]"
1 70 LEU 0.011 0.003 10 0 "[ . 1 . 2 . 3]"
1 72 LYS 0.276 0.027 8 0 "[ . 1 . 2 . 3]"
1 75 GLU 0.276 0.027 8 0 "[ . 1 . 2 . 3]"
1 77 ILE 0.011 0.003 10 0 "[ . 1 . 2 . 3]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 82 GLY 0.005 0.005 13 0 "[ . 1 . 2 . 3]"
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 66 LEU O 1 82 GLY H 2.000 . 2.500 2.050 1.689 2.505 0.005 13 0 "[ . 1 . 2 . 3]" 2
2 1 68 VAL O 1 80 ARG H 2.000 . 2.500 2.171 1.921 2.420 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 70 LEU O 1 77 ILE H 2.000 . 2.500 2.273 1.783 2.503 0.003 10 0 "[ . 1 . 2 . 3]" 2
4 1 72 LYS O 1 75 GLU H 2.000 . 2.500 2.338 2.022 2.527 0.027 8 0 "[ . 1 . 2 . 3]" 2
5 1 72 LYS H 1 75 GLU O 2.000 . 2.500 1.966 1.722 2.502 0.002 20 0 "[ . 1 . 2 . 3]" 2
6 1 70 LEU H 1 77 ILE O 2.000 . 2.500 1.744 1.657 1.872 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 68 VAL H 1 80 ARG O 2.000 . 2.500 1.847 1.668 2.217 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 66 LEU H 1 82 GLY O 2.000 . 2.500 2.008 1.784 2.309 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 59 CYS O 1 67 LEU H 2.000 . 2.500 2.075 1.654 2.505 0.005 29 0 "[ . 1 . 2 . 3]" 2
10 1 57 ARG O 1 69 TYR H 2.000 . 2.500 2.065 1.664 2.504 0.004 10 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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