NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432257 |
2jrz   |
15348 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jrz
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 582
_Distance_constraint_stats_list.Viol_count 1334
_Distance_constraint_stats_list.Viol_total 1384.754
_Distance_constraint_stats_list.Viol_max 0.272
_Distance_constraint_stats_list.Viol_rms 0.0219
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0519
_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 2 MET 0.010 0.010 9 0 "[ . 1 . 2]"
1 3 ASN 0.596 0.081 19 0 "[ . 1 . 2]"
1 4 GLU 0.596 0.081 19 0 "[ . 1 . 2]"
1 5 LEU 2.265 0.174 3 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.223 0.081 16 0 "[ . 1 . 2]"
1 9 THR 1.971 0.157 1 0 "[ . 1 . 2]"
1 10 ARG 0.813 0.142 15 0 "[ . 1 . 2]"
1 11 VAL 1.210 0.108 10 0 "[ . 1 . 2]"
1 12 LYS 2.424 0.157 1 0 "[ . 1 . 2]"
1 13 LEU 0.338 0.086 17 0 "[ . 1 . 2]"
1 14 ASN 1.619 0.142 15 0 "[ . 1 . 2]"
1 15 TYR 1.998 0.108 1 0 "[ . 1 . 2]"
1 16 LEU 0.043 0.023 16 0 "[ . 1 . 2]"
1 18 GLN 0.840 0.076 9 0 "[ . 1 . 2]"
1 19 ILE 1.826 0.128 12 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 1.991 0.250 15 0 "[ . 1 . 2]"
1 22 PHE 2.090 0.229 1 0 "[ . 1 . 2]"
1 23 TRP 5.975 0.171 12 0 "[ . 1 . 2]"
1 24 GLU 3.200 0.250 15 0 "[ . 1 . 2]"
1 25 ILE 1.662 0.097 9 0 "[ . 1 . 2]"
1 26 GLN 2.426 0.171 12 0 "[ . 1 . 2]"
1 27 GLY 0.062 0.031 6 0 "[ . 1 . 2]"
1 28 SER 1.892 0.091 15 0 "[ . 1 . 2]"
1 29 SER 0.719 0.097 9 0 "[ . 1 . 2]"
1 30 LEU 1.275 0.110 19 0 "[ . 1 . 2]"
1 31 LYS 0.094 0.050 6 0 "[ . 1 . 2]"
1 32 ILE 0.684 0.085 4 0 "[ . 1 . 2]"
1 33 PRO 0.941 0.108 5 0 "[ . 1 . 2]"
1 34 ASN 6.385 0.216 1 0 "[ . 1 . 2]"
1 35 VAL 7.498 0.203 17 0 "[ . 1 . 2]"
1 36 GLU 3.951 0.177 5 0 "[ . 1 . 2]"
1 37 ARG 3.404 0.177 5 0 "[ . 1 . 2]"
1 38 ARG 0.801 0.158 15 0 "[ . 1 . 2]"
1 39 ILE 1.192 0.158 15 0 "[ . 1 . 2]"
1 40 LEU 1.260 0.098 9 0 "[ . 1 . 2]"
1 41 ASP 0.143 0.037 18 0 "[ . 1 . 2]"
1 42 LEU 2.486 0.178 20 0 "[ . 1 . 2]"
1 43 TYR 4.428 0.178 20 0 "[ . 1 . 2]"
1 44 SER 0.564 0.083 9 0 "[ . 1 . 2]"
1 45 LEU 2.089 0.131 18 0 "[ . 1 . 2]"
1 46 SER 0.656 0.112 15 0 "[ . 1 . 2]"
1 47 LYS 1.778 0.112 15 0 "[ . 1 . 2]"
1 48 ILE 2.917 0.131 18 0 "[ . 1 . 2]"
1 49 VAL 4.074 0.171 15 0 "[ . 1 . 2]"
1 50 VAL 0.052 0.029 12 0 "[ . 1 . 2]"
1 51 GLU 0.052 0.052 6 0 "[ . 1 . 2]"
1 52 GLU 1.968 0.171 15 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.646 0.079 17 0 "[ . 1 . 2]"
1 55 TYR 2.596 0.135 8 0 "[ . 1 . 2]"
1 56 GLU 1.498 0.272 19 0 "[ . 1 . 2]"
1 57 ALA 1.753 0.109 10 0 "[ . 1 . 2]"
1 58 ILE 2.436 0.184 8 0 "[ . 1 . 2]"
1 59 CYS 2.235 0.272 19 0 "[ . 1 . 2]"
1 60 LYS 1.528 0.109 10 0 "[ . 1 . 2]"
1 61 ASP 0.235 0.081 10 0 "[ . 1 . 2]"
1 62 ARG 0.484 0.090 9 0 "[ . 1 . 2]"
1 63 ARG 2.536 0.184 8 0 "[ . 1 . 2]"
1 64 TRP 4.394 0.228 6 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 1.132 0.182 12 0 "[ . 1 . 2]"
1 67 VAL 1.424 0.228 6 0 "[ . 1 . 2]"
1 68 ALA 1.033 0.113 12 0 "[ . 1 . 2]"
1 69 GLN 0.141 0.053 17 0 "[ . 1 . 2]"
1 70 ARG 0.500 0.187 7 0 "[ . 1 . 2]"
1 71 LEU 1.313 0.191 12 0 "[ . 1 . 2]"
1 72 ASN 0.814 0.191 12 0 "[ . 1 . 2]"
1 73 TYR 0.830 0.113 12 0 "[ . 1 . 2]"
1 74 PRO 0.062 0.032 17 0 "[ . 1 . 2]"
1 75 PRO 0.060 0.060 18 0 "[ . 1 . 2]"
1 76 GLY 0.060 0.060 18 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 1.737 0.112 6 0 "[ . 1 . 2]"
1 80 GLY 0.172 0.058 11 0 "[ . 1 . 2]"
1 81 SER 0.144 0.040 6 0 "[ . 1 . 2]"
1 82 LEU 2.386 0.216 1 0 "[ . 1 . 2]"
1 83 LEU 0.468 0.051 10 0 "[ . 1 . 2]"
1 84 ARG 0.314 0.051 10 0 "[ . 1 . 2]"
1 85 SER 0.395 0.158 14 0 "[ . 1 . 2]"
1 86 HIS 2.436 0.152 16 0 "[ . 1 . 2]"
1 87 TYR 1.168 0.135 8 0 "[ . 1 . 2]"
1 88 GLU 0.598 0.158 14 0 "[ . 1 . 2]"
1 89 ARG 0.931 0.121 8 0 "[ . 1 . 2]"
1 90 ILE 0.563 0.085 4 0 "[ . 1 . 2]"
1 91 VAL 0.597 0.126 20 0 "[ . 1 . 2]"
1 92 TYR 0.181 0.063 14 0 "[ . 1 . 2]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 TYR 1.004 0.110 16 0 "[ . 1 . 2]"
1 95 GLU 1.263 0.108 1 0 "[ . 1 . 2]"
1 96 MET 0.146 0.080 14 0 "[ . 1 . 2]"
1 97 TYR 1.534 0.229 1 0 "[ . 1 . 2]"
1 98 GLN 0.046 0.030 19 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.750 0.068 8 0 "[ . 1 . 2]"
1 102 ASN 0.750 0.068 8 0 "[ . 1 . 2]"
1 103 LEU 0.052 0.029 12 0 "[ . 1 . 2]"
1 104 VAL 0.646 0.092 15 0 "[ . 1 . 2]"
1 105 CYS 0.221 0.088 2 0 "[ . 1 . 2]"
1 106 ASN 0.447 0.092 15 0 "[ . 1 . 2]"
1 107 THR 0.030 0.026 5 0 "[ . 1 . 2]"
1 108 ARG 1.159 0.174 1 0 "[ . 1 . 2]"
1 109 PRO 0.282 0.066 7 0 "[ . 1 . 2]"
1 110 PHE 1.966 0.174 1 0 "[ . 1 . 2]"
1 111 ASP 0.173 0.056 15 0 "[ . 1 . 2]"
1 112 ASN 0.173 0.056 15 0 "[ . 1 . 2]"
1 113 GLU 0.644 0.074 15 0 "[ . 1 . 2]"
1 114 GLU 0.644 0.074 15 0 "[ . 1 . 2]"
1 115 LYS 0.100 0.100 9 0 "[ . 1 . 2]"
1 116 ASP 0.680 0.155 13 0 "[ . 1 . 2]"
1 117 LYS 0.484 0.155 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 74 PRO QD 1 79 ILE MG 3.775 . 5.275 4.466 3.617 5.048 . 0 0 "[ . 1 . 2]" 1
2 1 74 PRO QG 1 79 ILE MG 3.835 . 6.335 5.610 5.057 6.367 0.032 17 0 "[ . 1 . 2]" 1
3 1 68 ALA MB 1 79 ILE MG 2.500 . 3.500 3.136 2.520 3.561 0.061 3 0 "[ . 1 . 2]" 1
4 1 12 LYS HA 1 43 TYR QD 2.780 . 4.780 3.652 2.784 4.556 . 0 0 "[ . 1 . 2]" 1
5 1 12 LYS HA 1 15 TYR QB 2.500 . 4.000 2.510 1.950 3.242 . 0 0 "[ . 1 . 2]" 1
6 1 12 LYS HA 1 43 TYR QB 3.150 . 6.650 5.488 4.634 6.176 . 0 0 "[ . 1 . 2]" 1
7 1 11 VAL HA 1 14 ASN QB 2.500 . 4.500 3.756 3.335 4.106 . 0 0 "[ . 1 . 2]" 1
8 1 64 TRP HE3 1 67 VAL MG2 2.810 . 3.810 2.290 1.744 3.352 0.056 6 0 "[ . 1 . 2]" 1
9 1 64 TRP HA 1 67 VAL MG2 2.545 . 3.545 2.234 1.842 2.833 . 0 0 "[ . 1 . 2]" 1
10 1 2 MET QB 1 3 ASN QB 2.900 . 5.400 4.361 3.709 4.927 . 0 0 "[ . 1 . 2]" 1
11 1 3 ASN QB 1 4 GLU QB 3.075 . 5.075 4.461 3.838 4.886 . 0 0 "[ . 1 . 2]" 1
12 1 7 ALA MB 1 8 GLN HA 2.505 . 4.505 3.907 3.655 4.164 . 0 0 "[ . 1 . 2]" 1
13 1 65 ALA MB 1 66 ARG HA 2.675 . 4.675 3.803 3.767 3.864 . 0 0 "[ . 1 . 2]" 1
14 1 15 TYR QD 1 19 ILE MG 2.770 . 3.770 3.123 2.691 3.432 . 0 0 "[ . 1 . 2]" 1
15 1 15 TYR QE 1 19 ILE MG 2.705 . 3.705 3.062 2.695 3.518 . 0 0 "[ . 1 . 2]" 1
16 1 15 TYR QD 1 19 ILE MD 2.770 . 4.770 4.152 3.656 4.788 0.018 9 0 "[ . 1 . 2]" 1
17 1 15 TYR QE 1 19 ILE MD 2.705 . 3.705 3.016 2.531 3.757 0.052 9 0 "[ . 1 . 2]" 1
18 1 67 VAL HA 1 70 ARG QB 2.500 . 3.500 2.441 1.858 2.873 . 0 0 "[ . 1 . 2]" 1
19 1 64 TRP HE3 1 67 VAL HB 2.735 . 3.735 2.992 2.315 3.963 0.228 6 0 "[ . 1 . 2]" 1
20 1 64 TRP HA 1 67 VAL HB 2.500 . 4.155 2.814 1.912 4.267 0.112 13 0 "[ . 1 . 2]" 1
21 1 64 TRP HE3 1 67 VAL MG1 2.810 . 3.810 2.559 2.183 3.370 . 0 0 "[ . 1 . 2]" 1
22 1 64 TRP HA 1 67 VAL MG1 2.545 . 4.045 3.284 2.053 4.023 . 0 0 "[ . 1 . 2]" 1
23 1 58 ILE MG 1 64 TRP HE3 2.735 . 3.735 3.001 2.874 3.253 . 0 0 "[ . 1 . 2]" 1
24 1 58 ILE MG 1 64 TRP HA 2.605 . 3.605 2.881 2.509 3.433 . 0 0 "[ . 1 . 2]" 1
25 1 58 ILE MG 1 64 TRP QB 2.615 . 4.615 3.683 3.513 3.967 . 0 0 "[ . 1 . 2]" 1
26 1 52 GLU HB2 1 58 ILE MD 2.500 . 3.500 2.024 1.802 3.103 . 0 0 "[ . 1 . 2]" 1
27 1 49 VAL MG2 1 58 ILE MD 3.500 . 4.500 2.214 2.049 2.582 . 0 0 "[ . 1 . 2]" 1
28 1 55 TYR HA 1 58 ILE MD 2.615 . 3.615 2.524 2.107 3.283 . 0 0 "[ . 1 . 2]" 1
29 1 52 GLU HB3 1 58 ILE MD 2.500 . 3.500 2.734 1.999 2.988 . 0 0 "[ . 1 . 2]" 1
30 1 21 LYS QE 1 25 ILE MD 2.500 . 3.500 2.805 1.773 3.579 0.079 16 0 "[ . 1 . 2]" 1
31 1 33 PRO HB2 1 82 LEU QD 2.500 . 3.500 3.463 2.882 3.608 0.108 5 0 "[ . 1 . 2]" 1
32 1 79 ILE HA 1 82 LEU HB2 2.500 . 3.500 3.095 2.658 3.404 . 0 0 "[ . 1 . 2]" 1
33 1 68 ALA MB 1 79 ILE HA 2.500 . 6.500 5.008 4.501 5.410 . 0 0 "[ . 1 . 2]" 1
34 1 23 TRP HD1 1 30 LEU MD2 3.010 . 4.010 3.983 3.465 4.120 0.110 19 0 "[ . 1 . 2]" 1
35 1 23 TRP HD1 1 30 LEU MD1 3.010 . 4.010 2.244 1.986 2.578 . 0 0 "[ . 1 . 2]" 1
36 1 59 CYS H 1 60 LYS QB 3.125 . 4.625 4.478 4.141 4.720 0.095 13 0 "[ . 1 . 2]" 1
37 1 32 ILE HB 1 33 PRO QD 2.500 . 5.000 3.392 2.465 4.020 . 0 0 "[ . 1 . 2]" 1
38 1 32 ILE QG 1 33 PRO QD 3.150 . 5.650 4.259 3.906 4.341 . 0 0 "[ . 1 . 2]" 1
39 1 34 ASN HA 1 82 LEU MD1 2.940 . 5.440 5.317 5.077 5.656 0.216 1 0 "[ . 1 . 2]" 1
40 1 34 ASN HA 1 35 VAL HA 2.740 . 4.240 4.410 4.353 4.443 0.203 17 0 "[ . 1 . 2]" 1
41 1 34 ASN HA 1 39 ILE HA 2.875 . 3.875 2.320 1.943 2.768 . 0 0 "[ . 1 . 2]" 1
42 1 35 VAL HB 1 79 ILE MG 2.610 . 3.610 3.627 3.463 3.722 0.112 6 0 "[ . 1 . 2]" 1
43 1 36 GLU HA 1 37 ARG QD 2.730 . 3.730 3.132 2.539 3.907 0.177 5 0 "[ . 1 . 2]" 1
44 1 48 ILE MG 1 67 VAL HA 3.500 . 4.500 3.220 2.666 4.428 . 0 0 "[ . 1 . 2]" 1
45 1 49 VAL MG2 1 55 TYR QD 2.930 . 4.000 3.625 3.040 4.055 0.055 18 0 "[ . 1 . 2]" 1
46 1 49 VAL MG2 1 64 TRP HH2 2.500 . 3.500 2.176 1.875 2.399 . 0 0 "[ . 1 . 2]" 1
47 1 45 LEU HA 1 48 ILE MD 2.590 . 3.590 3.042 2.504 3.428 . 0 0 "[ . 1 . 2]" 1
48 1 32 ILE MG 1 33 PRO QD 2.500 . 4.000 3.362 3.088 3.673 . 0 0 "[ . 1 . 2]" 1
49 1 45 LEU QD 1 64 TRP HE3 2.995 . 4.495 3.432 2.817 4.068 . 0 0 "[ . 1 . 2]" 1
50 1 45 LEU QD 1 64 TRP HZ3 2.880 . 3.880 2.240 1.913 2.842 . 0 0 "[ . 1 . 2]" 1
51 1 45 LEU QD 1 64 TRP HH2 2.980 . 3.980 3.288 2.974 3.797 . 0 0 "[ . 1 . 2]" 1
52 1 47 LYS QG 1 48 ILE HA 2.635 . 3.635 3.387 2.937 3.739 0.104 2 0 "[ . 1 . 2]" 1
53 1 49 VAL HA 1 52 GLU HB2 2.560 . 3.560 2.670 2.484 3.336 . 0 0 "[ . 1 . 2]" 1
54 1 49 VAL HA 1 58 ILE MD 2.500 . 3.500 1.889 1.724 2.232 0.076 15 0 "[ . 1 . 2]" 1
55 1 49 VAL MG1 1 55 TYR QD 2.665 . 4.000 3.705 2.622 4.026 0.026 19 0 "[ . 1 . 2]" 1
56 1 49 VAL MG1 1 58 ILE MD 3.500 . 4.500 2.302 1.998 2.958 . 0 0 "[ . 1 . 2]" 1
57 1 56 GLU HA 1 59 CYS QB 2.560 . 3.560 2.433 2.023 2.769 . 0 0 "[ . 1 . 2]" 1
58 1 57 ALA MB 1 58 ILE HA 2.500 . 4.500 3.832 3.767 3.883 . 0 0 "[ . 1 . 2]" 1
59 1 68 ALA MB 1 80 GLY HA2 3.770 . 4.770 3.182 2.540 3.896 . 0 0 "[ . 1 . 2]" 1
60 1 68 ALA MB 1 80 GLY HA3 3.500 . 4.500 3.732 2.733 4.267 . 0 0 "[ . 1 . 2]" 1
61 1 68 ALA MB 1 79 ILE HB 2.500 . 3.500 2.708 2.004 3.272 . 0 0 "[ . 1 . 2]" 1
62 1 81 SER HA 1 84 ARG QB 2.570 . 3.570 2.745 2.437 3.027 . 0 0 "[ . 1 . 2]" 1
63 1 79 ILE MG 1 82 LEU HB2 3.080 . 4.080 3.866 3.273 4.137 0.057 5 0 "[ . 1 . 2]" 1
64 1 79 ILE HA 1 82 LEU HB3 3.000 . 4.000 2.684 2.242 2.862 . 0 0 "[ . 1 . 2]" 1
65 1 79 ILE MG 1 82 LEU HB3 3.145 . 4.145 2.724 2.270 3.035 . 0 0 "[ . 1 . 2]" 1
66 1 58 ILE MG 1 83 LEU MD2 3.000 . 6.500 4.586 4.273 5.475 . 0 0 "[ . 1 . 2]" 1
67 1 58 ILE MD 1 83 LEU MD2 3.000 . 6.500 5.085 4.617 5.717 . 0 0 "[ . 1 . 2]" 1
68 1 87 TYR HA 1 91 VAL HB 2.670 . 3.670 2.224 2.033 2.505 . 0 0 "[ . 1 . 2]" 1
69 1 87 TYR HA 1 91 VAL QG 2.500 . 3.500 2.255 2.071 2.413 . 0 0 "[ . 1 . 2]" 1
70 1 88 GLU HA 1 92 TYR QD 2.500 . 3.500 2.511 1.913 2.797 . 0 0 "[ . 1 . 2]" 1
71 1 88 GLU HA 1 92 TYR QB 2.500 . 3.500 2.340 1.737 3.093 0.063 14 0 "[ . 1 . 2]" 1
72 1 90 ILE MG 1 91 VAL HA 2.500 . 4.500 3.157 2.945 3.252 . 0 0 "[ . 1 . 2]" 1
73 1 56 GLU QG 1 59 CYS QB 2.780 . 3.780 3.770 3.282 4.052 0.272 19 0 "[ . 1 . 2]" 1
74 1 19 ILE MG 1 20 ALA MB 2.500 . 4.000 2.943 2.758 3.161 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU HA 1 20 ALA MB 2.655 . 4.655 3.981 3.498 4.296 . 0 0 "[ . 1 . 2]" 1
76 1 15 TYR QB 1 43 TYR QD 3.500 . 4.500 3.409 2.894 4.147 . 0 0 "[ . 1 . 2]" 1
77 1 42 LEU QD 1 43 TYR HA 2.645 . 5.145 3.889 3.583 5.188 0.043 11 0 "[ . 1 . 2]" 1
78 1 59 CYS HA 1 64 TRP HD1 2.975 . 3.975 2.996 2.531 3.544 . 0 0 "[ . 1 . 2]" 1
79 1 47 LYS HA 1 50 VAL HB 2.535 . 3.535 2.719 2.524 2.907 . 0 0 "[ . 1 . 2]" 1
80 1 91 VAL QG 1 94 TYR QD 2.650 . 4.150 3.341 2.911 3.893 . 0 0 "[ . 1 . 2]" 1
81 1 19 ILE MD 1 94 TYR QD 3.150 . 4.650 3.093 2.534 3.647 . 0 0 "[ . 1 . 2]" 1
82 1 90 ILE MG 1 94 TYR QD 3.150 . 4.650 3.772 3.274 4.367 . 0 0 "[ . 1 . 2]" 1
83 1 55 TYR QD 1 64 TRP HZ2 3.500 . 4.500 1.910 1.685 2.517 0.115 18 0 "[ . 1 . 2]" 1
84 1 23 TRP HZ2 1 90 ILE HA 3.150 . 6.150 3.131 2.307 3.853 . 0 0 "[ . 1 . 2]" 1
85 1 82 LEU QD 1 86 HIS HD2 2.500 . 3.500 1.999 1.736 2.928 0.064 19 0 "[ . 1 . 2]" 1
86 1 23 TRP HD1 1 90 ILE MG 2.500 . 6.000 3.280 2.731 3.985 . 0 0 "[ . 1 . 2]" 1
87 1 23 TRP HD1 1 90 ILE MD 2.835 . 4.835 3.822 2.954 4.895 0.060 19 0 "[ . 1 . 2]" 1
88 1 15 TYR QD 1 43 TYR QD 3.500 . 4.500 3.399 3.121 3.769 . 0 0 "[ . 1 . 2]" 1
89 1 15 TYR HD2 1 43 TYR HE2 3.500 . 4.500 4.231 3.473 4.570 0.070 12 0 "[ . 1 . 2]" 1
90 1 15 TYR HE1 1 43 TYR HD1 3.500 . 4.500 4.407 4.100 4.564 0.064 15 0 "[ . 1 . 2]" 1
91 1 15 TYR HE2 1 43 TYR HD2 3.500 . 4.500 4.360 3.812 4.608 0.108 1 0 "[ . 1 . 2]" 1
92 1 15 TYR HD1 1 43 TYR HE1 3.500 . 4.500 4.228 3.694 4.557 0.057 20 0 "[ . 1 . 2]" 1
93 1 15 TYR QE 1 43 TYR QE 3.500 . 4.500 4.257 3.815 4.562 0.062 3 0 "[ . 1 . 2]" 1
94 1 55 TYR QD 1 56 GLU QB 2.650 . 4.650 3.914 3.059 4.686 0.036 17 0 "[ . 1 . 2]" 1
95 1 22 PHE QE 1 94 TYR H 3.900 . 4.900 4.383 3.864 4.908 0.008 9 0 "[ . 1 . 2]" 1
96 1 32 ILE HA 1 33 PRO QD 2.500 . 3.500 1.861 1.738 2.080 0.062 4 0 "[ . 1 . 2]" 1
97 1 82 LEU QD 1 86 HIS HE1 2.990 . 3.990 3.716 2.724 4.142 0.152 16 0 "[ . 1 . 2]" 1
98 1 33 PRO QG 1 86 HIS HE1 3.050 . 4.050 3.034 2.174 3.628 . 0 0 "[ . 1 . 2]" 1
99 1 58 ILE HB 1 64 TRP HZ2 3.150 . 4.150 2.982 2.810 3.196 . 0 0 "[ . 1 . 2]" 1
100 1 15 TYR QE 1 19 ILE HB 3.150 . 4.150 3.475 3.120 3.723 . 0 0 "[ . 1 . 2]" 1
101 1 15 TYR QD 1 19 ILE HB 3.150 . 4.150 3.578 3.122 3.956 . 0 0 "[ . 1 . 2]" 1
102 1 55 TYR HA 1 64 TRP HZ2 2.500 . 3.500 3.309 2.874 3.563 0.063 18 0 "[ . 1 . 2]" 1
103 1 49 VAL MG2 1 64 TRP HZ2 3.020 . 4.520 4.212 3.956 4.421 . 0 0 "[ . 1 . 2]" 1
104 1 58 ILE MG 1 64 TRP HD1 3.045 . 4.045 3.800 3.679 3.982 . 0 0 "[ . 1 . 2]" 1
105 1 49 VAL HA 1 64 TRP HE3 3.150 . 6.150 6.244 6.196 6.305 0.155 17 0 "[ . 1 . 2]" 1
106 1 58 ILE MG 1 64 TRP HZ2 3.150 . 4.650 3.816 3.412 4.014 . 0 0 "[ . 1 . 2]" 1
107 1 58 ILE MD 1 64 TRP HZ2 3.150 . 4.150 3.623 3.285 4.005 . 0 0 "[ . 1 . 2]" 1
108 1 58 ILE MD 1 64 TRP HH2 3.150 . 4.150 2.632 2.419 2.868 . 0 0 "[ . 1 . 2]" 1
109 1 58 ILE MG 1 64 TRP HH2 3.150 . 5.150 3.822 3.474 4.090 . 0 0 "[ . 1 . 2]" 1
110 1 55 TYR QD 1 64 TRP HH2 3.500 . 4.500 2.271 1.796 2.622 0.004 12 0 "[ . 1 . 2]" 1
111 1 34 ASN HA 1 39 ILE HB 2.995 . 5.995 4.668 4.206 5.157 . 0 0 "[ . 1 . 2]" 1
112 1 52 GLU HA 1 58 ILE MD 3.150 . 5.150 4.560 4.452 4.794 . 0 0 "[ . 1 . 2]" 1
113 1 52 GLU HG3 1 58 ILE MD 3.150 . 4.150 2.482 2.101 3.637 . 0 0 "[ . 1 . 2]" 1
114 1 48 ILE MG 1 58 ILE MD 3.150 . 4.150 3.151 2.288 3.650 . 0 0 "[ . 1 . 2]" 1
115 1 57 ALA MB 1 58 ILE MD 2.660 . 5.160 4.311 4.138 4.467 . 0 0 "[ . 1 . 2]" 1
116 1 22 PHE QE 1 94 TYR HA 3.655 . 4.655 3.356 2.858 3.734 . 0 0 "[ . 1 . 2]" 1
117 1 19 ILE HA 1 22 PHE QD 3.045 . 4.545 4.579 4.460 4.673 0.128 12 0 "[ . 1 . 2]" 1
118 1 22 PHE QD 1 94 TYR HA 3.650 . 5.150 4.727 4.295 5.200 0.050 15 0 "[ . 1 . 2]" 1
119 1 22 PHE QD 1 97 TYR QD 2.500 . 4.000 4.032 3.797 4.229 0.229 1 0 "[ . 1 . 2]" 1
120 1 45 LEU HA 1 48 ILE HB 2.500 . 3.500 2.808 2.528 3.120 . 0 0 "[ . 1 . 2]" 1
121 1 49 VAL HA 1 52 GLU HB3 2.560 . 4.060 4.036 2.787 4.231 0.171 15 0 "[ . 1 . 2]" 1
122 1 57 ALA HA 1 60 LYS QB 2.500 . 3.500 3.069 2.638 3.421 . 0 0 "[ . 1 . 2]" 1
123 1 63 ARG HA 1 66 ARG QB 2.500 . 5.000 4.276 2.915 5.059 0.059 8 0 "[ . 1 . 2]" 1
124 1 68 ALA HA 1 71 LEU QB 2.500 . 4.000 2.643 2.165 2.976 . 0 0 "[ . 1 . 2]" 1
125 1 23 TRP HZ2 1 90 ILE MG 3.150 . 6.150 4.020 2.341 5.093 . 0 0 "[ . 1 . 2]" 1
126 1 23 TRP HD1 1 94 TYR QD 3.150 . 6.150 6.061 5.775 6.131 . 0 0 "[ . 1 . 2]" 1
127 1 23 TRP HD1 1 94 TYR QE 3.150 . 4.650 4.194 3.813 4.516 . 0 0 "[ . 1 . 2]" 1
128 1 23 TRP HZ3 1 94 TYR QD 3.150 . 6.650 5.824 4.370 6.560 . 0 0 "[ . 1 . 2]" 1
129 1 23 TRP HZ3 1 94 TYR QE 3.150 . 6.650 5.580 4.675 6.142 . 0 0 "[ . 1 . 2]" 1
130 1 49 VAL MG1 1 64 TRP HH2 2.500 . 3.500 3.336 2.595 3.523 0.023 12 0 "[ . 1 . 2]" 1
131 1 49 VAL MG2 1 64 TRP HZ3 2.940 . 3.940 2.390 2.060 2.545 . 0 0 "[ . 1 . 2]" 1
132 1 49 VAL MG2 1 64 TRP HE3 2.500 . 6.500 4.395 4.159 4.582 . 0 0 "[ . 1 . 2]" 1
133 1 30 LEU HG 1 31 LYS H 2.695 . 4.195 3.643 2.967 4.195 . 0 0 "[ . 1 . 2]" 1
134 1 34 ASN HA 1 40 LEU H 2.620 . 4.620 2.763 2.481 3.237 . 0 0 "[ . 1 . 2]" 1
135 1 39 ILE HA 1 40 LEU H 2.500 . 3.500 2.259 2.174 2.340 . 0 0 "[ . 1 . 2]" 1
136 1 39 ILE HB 1 40 LEU H 2.500 . 4.000 4.027 3.968 4.098 0.098 9 0 "[ . 1 . 2]" 1
137 1 39 ILE MG 1 40 LEU H 2.685 . 4.685 3.740 3.567 3.979 . 0 0 "[ . 1 . 2]" 1
138 1 39 ILE MD 1 40 LEU H 2.845 . 4.345 3.649 2.250 4.197 . 0 0 "[ . 1 . 2]" 1
139 1 59 CYS HA 1 64 TRP HE1 2.500 . 3.500 1.955 1.748 2.324 0.052 14 0 "[ . 1 . 2]" 1
140 1 58 ILE MG 1 64 TRP HE1 2.755 . 3.755 3.715 3.442 3.807 0.052 12 0 "[ . 1 . 2]" 1
141 1 31 LYS HA 1 32 ILE H 2.500 . 3.500 2.213 2.122 2.332 . 0 0 "[ . 1 . 2]" 1
142 1 35 VAL MG2 1 36 GLU H 2.665 . 3.665 2.395 2.166 2.734 . 0 0 "[ . 1 . 2]" 1
143 1 35 VAL MG1 1 36 GLU H 2.665 . 4.665 3.826 3.639 4.187 . 0 0 "[ . 1 . 2]" 1
144 1 29 SER HA 1 30 LEU H 2.500 . 3.500 2.250 2.148 2.338 . 0 0 "[ . 1 . 2]" 1
145 1 23 TRP HE1 1 24 GLU HA 2.825 . 5.825 5.895 5.836 5.938 0.113 15 0 "[ . 1 . 2]" 1
146 1 23 TRP HE1 1 90 ILE MG 2.500 . 6.000 2.757 2.028 3.511 . 0 0 "[ . 1 . 2]" 1
147 1 20 ALA H 1 21 LYS QB 2.840 . 5.340 4.350 4.043 4.682 . 0 0 "[ . 1 . 2]" 1
148 1 19 ILE MG 1 20 ALA H 2.500 . 3.500 2.337 2.007 2.602 . 0 0 "[ . 1 . 2]" 1
149 1 81 SER QB 1 82 LEU H 2.500 . 3.500 2.613 2.354 3.376 . 0 0 "[ . 1 . 2]" 1
150 1 107 THR H 1 108 ARG H 2.750 . 3.750 2.753 2.483 2.940 . 0 0 "[ . 1 . 2]" 1
151 1 38 ARG HA 1 39 ILE H 2.500 . 3.500 2.192 2.114 2.328 . 0 0 "[ . 1 . 2]" 1
152 1 38 ARG QG 1 39 ILE H 2.500 . 3.500 3.089 2.219 3.658 0.158 15 0 "[ . 1 . 2]" 1
153 1 101 ALA H 1 102 ASN H 2.500 . 3.500 2.516 2.325 2.693 . 0 0 "[ . 1 . 2]" 1
154 1 56 GLU H 1 57 ALA H 2.500 . 3.500 2.780 2.616 2.933 . 0 0 "[ . 1 . 2]" 1
155 1 56 GLU QB 1 57 ALA H 2.500 . 3.500 2.635 2.440 3.107 . 0 0 "[ . 1 . 2]" 1
156 1 34 ASN H 1 35 VAL H 2.835 . 4.335 4.382 4.339 4.455 0.120 5 0 "[ . 1 . 2]" 1
157 1 34 ASN HA 1 35 VAL H 2.500 . 3.500 2.204 2.077 2.290 . 0 0 "[ . 1 . 2]" 1
158 1 34 ASN HB2 1 35 VAL H 2.790 . 3.790 2.935 2.534 3.831 0.041 5 0 "[ . 1 . 2]" 1
159 1 34 ASN HB3 1 35 VAL H 2.790 . 3.790 3.640 2.572 3.933 0.143 11 0 "[ . 1 . 2]" 1
160 1 35 VAL H 1 79 ILE MG 3.150 . 5.650 5.389 5.111 5.709 0.059 3 0 "[ . 1 . 2]" 1
161 1 104 VAL HA 1 105 CYS H 2.500 . 3.500 2.147 2.079 2.285 . 0 0 "[ . 1 . 2]" 1
162 1 59 CYS QB 1 60 LYS H 2.595 . 3.595 2.551 2.371 2.840 . 0 0 "[ . 1 . 2]" 1
163 1 104 VAL QG 1 105 CYS H 2.620 . 3.620 3.011 2.472 3.447 . 0 0 "[ . 1 . 2]" 1
164 1 59 CYS H 1 60 LYS H 2.500 . 3.500 2.614 2.424 2.797 . 0 0 "[ . 1 . 2]" 1
165 1 57 ALA HA 1 60 LYS H 2.500 . 3.500 3.550 3.437 3.609 0.109 10 0 "[ . 1 . 2]" 1
166 1 48 ILE HA 1 51 GLU H 2.500 . 3.500 3.235 2.840 3.552 0.052 6 0 "[ . 1 . 2]" 1
167 1 12 LYS H 1 13 LEU H 2.500 . 3.500 2.328 2.250 2.420 . 0 0 "[ . 1 . 2]" 1
168 1 94 TYR HA 1 97 TYR H 2.500 . 3.500 2.959 2.767 3.120 . 0 0 "[ . 1 . 2]" 1
169 1 14 ASN QB 1 15 TYR H 2.500 . 3.500 2.388 2.168 2.584 . 0 0 "[ . 1 . 2]" 1
170 1 113 GLU HA 1 114 GLU H 2.500 . 3.500 3.523 3.403 3.574 0.074 15 0 "[ . 1 . 2]" 1
171 1 11 VAL HB 1 12 LYS H 2.500 . 4.000 3.938 3.869 4.041 0.041 11 0 "[ . 1 . 2]" 1
172 1 11 VAL MG1 1 12 LYS H 2.500 . 4.000 2.036 1.778 2.416 0.022 14 0 "[ . 1 . 2]" 1
173 1 64 TRP H 1 65 ALA H 2.580 . 3.580 2.679 2.592 2.757 . 0 0 "[ . 1 . 2]" 1
174 1 63 ARG QB 1 64 TRP H 2.500 . 3.500 3.369 3.140 3.602 0.102 5 0 "[ . 1 . 2]" 1
175 1 58 ILE MG 1 64 TRP H 2.660 . 4.160 2.510 2.283 2.665 . 0 0 "[ . 1 . 2]" 1
176 1 65 ALA H 1 66 ARG H 2.515 . 3.515 2.824 2.622 2.978 . 0 0 "[ . 1 . 2]" 1
177 1 64 TRP QB 1 65 ALA H 2.755 . 3.755 2.952 2.699 3.114 . 0 0 "[ . 1 . 2]" 1
178 1 92 TYR H 1 95 GLU H 3.150 . 5.150 4.775 4.551 4.984 . 0 0 "[ . 1 . 2]" 1
179 1 3 ASN HA 1 4 GLU H 2.500 . 3.500 3.527 3.474 3.581 0.081 19 0 "[ . 1 . 2]" 1
180 1 3 ASN QB 1 4 GLU H 2.500 . 3.500 2.630 2.353 2.790 . 0 0 "[ . 1 . 2]" 1
181 1 24 GLU QB 1 25 ILE H 2.500 . 3.500 2.606 2.274 3.012 . 0 0 "[ . 1 . 2]" 1
182 1 18 GLN H 1 19 ILE H 2.500 . 3.500 2.727 2.568 2.836 . 0 0 "[ . 1 . 2]" 1
183 1 19 ILE H 1 20 ALA H 2.500 . 3.500 2.594 2.399 2.774 . 0 0 "[ . 1 . 2]" 1
184 1 19 ILE H 1 20 ALA MB 2.510 . 6.510 4.319 4.123 4.475 . 0 0 "[ . 1 . 2]" 1
185 1 91 VAL HB 1 92 TYR H 2.625 . 3.625 3.316 3.041 3.512 . 0 0 "[ . 1 . 2]" 1
186 1 91 VAL QG 1 92 TYR H 2.500 . 5.000 3.565 3.453 3.643 . 0 0 "[ . 1 . 2]" 1
187 1 23 TRP H 1 24 GLU H 2.500 . 3.500 2.539 2.255 2.683 . 0 0 "[ . 1 . 2]" 1
188 1 21 LYS HA 1 24 GLU H 2.500 . 3.500 3.583 3.397 3.750 0.250 15 0 "[ . 1 . 2]" 1
189 1 47 LYS H 1 48 ILE H 2.500 . 3.500 2.626 2.560 2.690 . 0 0 "[ . 1 . 2]" 1
190 1 46 SER H 1 47 LYS H 2.500 . 3.500 2.750 2.537 2.894 . 0 0 "[ . 1 . 2]" 1
191 1 46 SER QB 1 47 LYS H 2.500 . 3.500 2.660 2.279 3.389 . 0 0 "[ . 1 . 2]" 1
192 1 44 SER HA 1 47 LYS H 2.540 . 3.540 3.543 3.379 3.623 0.083 9 0 "[ . 1 . 2]" 1
193 1 47 LYS H 1 48 ILE HB 2.765 . 4.765 4.796 4.761 4.834 0.069 18 0 "[ . 1 . 2]" 1
194 1 45 LEU H 1 48 ILE H 3.150 . 4.650 4.736 4.682 4.781 0.131 18 0 "[ . 1 . 2]" 1
195 1 116 ASP H 1 117 LYS H 2.500 . 3.500 2.977 2.374 3.655 0.155 13 0 "[ . 1 . 2]" 1
196 1 44 SER H 1 45 LEU H 2.500 . 3.500 2.668 2.574 2.760 . 0 0 "[ . 1 . 2]" 1
197 1 47 LYS QG 1 48 ILE H 2.500 . 3.500 2.295 2.057 2.492 . 0 0 "[ . 1 . 2]" 1
198 1 86 HIS H 1 87 TYR H 2.525 . 3.525 2.541 2.282 2.670 . 0 0 "[ . 1 . 2]" 1
199 1 86 HIS HB2 1 87 TYR H 2.820 . 3.820 2.912 2.692 3.202 . 0 0 "[ . 1 . 2]" 1
200 1 86 HIS HB3 1 87 TYR H 2.820 . 3.820 3.751 3.549 3.885 0.065 14 0 "[ . 1 . 2]" 1
201 1 84 ARG QB 1 87 TYR H 2.880 . 5.880 4.914 4.784 5.170 . 0 0 "[ . 1 . 2]" 1
202 1 70 ARG H 1 71 LEU H 2.500 . 3.500 2.579 2.172 2.752 . 0 0 "[ . 1 . 2]" 1
203 1 44 SER QB 1 45 LEU H 2.600 . 3.600 2.646 2.482 3.369 . 0 0 "[ . 1 . 2]" 1
204 1 67 VAL HA 1 70 ARG H 2.610 . 3.610 3.328 3.043 3.439 . 0 0 "[ . 1 . 2]" 1
205 1 69 GLN QB 1 70 ARG H 2.500 . 3.500 2.690 2.497 3.051 . 0 0 "[ . 1 . 2]" 1
206 1 45 LEU H 1 47 LYS QG 5.150 . 6.150 4.341 4.238 4.482 . 0 0 "[ . 1 . 2]" 1
207 1 104 VAL H 1 105 CYS H 2.770 . 4.270 4.130 3.755 4.358 0.088 2 0 "[ . 1 . 2]" 1
208 1 103 LEU HA 1 104 VAL H 2.500 . 3.500 2.194 2.141 2.279 . 0 0 "[ . 1 . 2]" 1
209 1 2 MET QB 1 3 ASN H 2.600 . 3.600 2.972 2.268 3.504 . 0 0 "[ . 1 . 2]" 1
210 1 64 TRP HA 1 67 VAL H 2.690 . 3.690 3.142 2.927 3.522 . 0 0 "[ . 1 . 2]" 1
211 1 66 ARG QB 1 67 VAL H 2.500 . 4.000 3.374 2.447 3.685 . 0 0 "[ . 1 . 2]" 1
212 1 67 VAL H 1 68 ALA MB 2.655 . 5.155 4.334 4.234 4.460 . 0 0 "[ . 1 . 2]" 1
213 1 94 TYR H 1 95 GLU H 2.500 . 3.500 2.529 2.452 2.596 . 0 0 "[ . 1 . 2]" 1
214 1 93 PRO HA 1 95 GLU H 4.865 . 5.865 4.261 4.056 4.423 . 0 0 "[ . 1 . 2]" 1
215 1 91 VAL QG 1 95 GLU H 2.645 . 4.645 3.573 3.402 3.767 . 0 0 "[ . 1 . 2]" 1
216 1 66 ARG H 1 67 VAL H 2.500 . 3.500 2.578 2.449 2.872 . 0 0 "[ . 1 . 2]" 1
217 1 63 ARG HA 1 66 ARG H 2.500 . 3.500 3.439 2.740 3.682 0.182 12 0 "[ . 1 . 2]" 1
218 1 65 ALA MB 1 66 ARG H 2.500 . 3.500 2.329 2.111 2.483 . 0 0 "[ . 1 . 2]" 1
219 1 20 ALA MB 1 21 LYS H 2.500 . 3.500 2.400 2.150 2.747 . 0 0 "[ . 1 . 2]" 1
220 1 18 GLN H 1 19 ILE MG 3.150 . 4.650 4.235 4.114 4.481 . 0 0 "[ . 1 . 2]" 1
221 1 19 ILE MG 1 21 LYS H 5.150 . 6.150 4.447 4.216 4.672 . 0 0 "[ . 1 . 2]" 1
222 1 23 TRP H 1 94 TYR QE 3.150 . 5.150 3.879 3.434 4.231 . 0 0 "[ . 1 . 2]" 1
223 1 22 PHE QD 1 23 TRP H 2.500 . 3.500 3.099 2.809 3.491 . 0 0 "[ . 1 . 2]" 1
224 1 21 LYS QB 1 22 PHE H 2.500 . 3.500 2.521 2.207 3.008 . 0 0 "[ . 1 . 2]" 1
225 1 20 ALA MB 1 22 PHE H 4.775 . 5.775 4.655 4.383 5.000 . 0 0 "[ . 1 . 2]" 1
226 1 68 ALA MB 1 79 ILE H 2.865 . 4.365 4.160 3.775 4.400 0.035 13 0 "[ . 1 . 2]" 1
227 1 85 SER HA 1 88 GLU H 2.780 . 3.780 3.683 3.431 3.938 0.158 14 0 "[ . 1 . 2]" 1
228 1 87 TYR HB2 1 88 GLU H 2.675 . 3.675 3.652 3.542 3.706 0.031 18 0 "[ . 1 . 2]" 1
229 1 87 TYR HB3 1 88 GLU H 2.675 . 3.675 2.406 2.242 2.646 . 0 0 "[ . 1 . 2]" 1
230 1 76 GLY H 1 77 LYS H 2.755 . 3.755 2.541 2.178 2.914 . 0 0 "[ . 1 . 2]" 1
231 1 84 ARG H 1 85 SER H 2.500 . 3.500 2.744 2.625 2.884 . 0 0 "[ . 1 . 2]" 1
232 1 81 SER HA 1 84 ARG H 2.500 . 3.500 3.462 3.281 3.540 0.040 6 0 "[ . 1 . 2]" 1
233 1 83 LEU HG 1 84 ARG H 2.500 . 3.500 3.428 3.175 3.551 0.051 10 0 "[ . 1 . 2]" 1
234 1 85 SER QB 1 86 HIS H 2.500 . 3.500 2.651 2.227 3.395 . 0 0 "[ . 1 . 2]" 1
235 1 23 TRP H 1 26 GLN H 3.150 . 4.650 4.701 4.517 4.821 0.171 12 0 "[ . 1 . 2]" 1
236 1 48 ILE H 1 49 VAL H 2.500 . 3.500 2.662 2.502 2.799 . 0 0 "[ . 1 . 2]" 1
237 1 85 SER H 1 86 HIS H 2.500 . 3.500 2.762 2.428 2.885 . 0 0 "[ . 1 . 2]" 1
238 1 109 PRO HA 1 110 PHE H 2.500 . 3.500 3.416 3.047 3.566 0.066 7 0 "[ . 1 . 2]" 1
239 1 55 TYR H 1 56 GLU H 2.500 . 4.000 2.896 2.671 3.092 . 0 0 "[ . 1 . 2]" 1
240 1 49 VAL MG1 1 55 TYR H 2.815 . 3.815 2.822 2.342 3.294 . 0 0 "[ . 1 . 2]" 1
241 1 111 ASP HA 1 112 ASN H 2.500 . 3.500 3.501 3.473 3.556 0.056 15 0 "[ . 1 . 2]" 1
242 1 55 TYR QD 1 56 GLU H 2.500 . 3.500 3.203 2.661 3.557 0.057 18 0 "[ . 1 . 2]" 1
243 1 50 VAL H 1 51 GLU H 2.500 . 3.500 2.656 2.532 2.759 . 0 0 "[ . 1 . 2]" 1
244 1 68 ALA HA 1 71 LEU H 2.690 . 3.690 3.294 3.091 3.442 . 0 0 "[ . 1 . 2]" 1
245 1 98 GLN H 1 99 SER H 2.500 . 3.500 2.764 2.613 2.876 . 0 0 "[ . 1 . 2]" 1
246 1 97 TYR QD 1 98 GLN H 2.670 . 3.670 3.158 2.716 3.700 0.030 19 0 "[ . 1 . 2]" 1
247 1 96 MET HA 1 98 GLN H 5.555 . 6.555 5.062 4.698 5.453 . 0 0 "[ . 1 . 2]" 1
248 1 97 TYR H 1 98 GLN H 2.500 . 3.500 2.877 2.686 3.118 . 0 0 "[ . 1 . 2]" 1
249 1 10 ARG HA 1 13 LEU H 2.500 . 4.000 3.745 3.093 4.086 0.086 17 0 "[ . 1 . 2]" 1
250 1 9 THR MG 1 13 LEU H 2.810 . 5.810 5.201 4.834 5.560 . 0 0 "[ . 1 . 2]" 1
251 1 49 VAL H 1 50 VAL H 2.500 . 3.500 2.750 2.656 2.834 . 0 0 "[ . 1 . 2]" 1
252 1 47 LYS HA 1 50 VAL H 2.730 . 3.730 3.523 3.197 3.700 . 0 0 "[ . 1 . 2]" 1
253 1 87 TYR HA 1 91 VAL H 2.500 . 3.500 2.430 2.229 2.878 . 0 0 "[ . 1 . 2]" 1
254 1 47 LYS QG 1 50 VAL H 3.150 . 6.450 5.296 5.077 5.497 . 0 0 "[ . 1 . 2]" 1
255 1 49 VAL MG1 1 50 VAL H 2.595 . 4.095 3.318 3.175 3.470 . 0 0 "[ . 1 . 2]" 1
256 1 35 VAL H 1 38 ARG H 2.550 . 3.550 3.142 2.848 3.340 . 0 0 "[ . 1 . 2]" 1
257 1 37 ARG H 1 38 ARG H 2.500 . 3.500 2.546 2.459 2.675 . 0 0 "[ . 1 . 2]" 1
258 1 10 ARG H 1 11 VAL H 2.500 . 4.000 2.871 2.639 3.004 . 0 0 "[ . 1 . 2]" 1
259 1 10 ARG QB 1 11 VAL H 2.500 . 4.000 3.448 3.396 3.500 . 0 0 "[ . 1 . 2]" 1
260 1 69 GLN H 1 70 ARG H 2.500 . 3.500 2.634 2.515 2.726 . 0 0 "[ . 1 . 2]" 1
261 1 66 ARG HA 1 69 GLN H 2.500 . 3.500 3.382 3.215 3.553 0.053 17 0 "[ . 1 . 2]" 1
262 1 68 ALA MB 1 69 GLN H 2.500 . 3.500 2.498 2.327 2.695 . 0 0 "[ . 1 . 2]" 1
263 1 35 VAL HA 1 38 ARG H 2.500 . 4.500 4.353 4.230 4.462 . 0 0 "[ . 1 . 2]" 1
264 1 67 VAL H 1 68 ALA H 2.500 . 3.500 2.688 2.569 2.813 . 0 0 "[ . 1 . 2]" 1
265 1 67 VAL HB 1 68 ALA H 2.540 . 4.040 2.781 2.198 4.044 0.004 13 0 "[ . 1 . 2]" 1
266 1 91 VAL H 1 92 TYR H 2.500 . 3.500 2.343 2.263 2.447 . 0 0 "[ . 1 . 2]" 1
267 1 13 LEU H 1 14 ASN H 2.500 . 3.500 2.770 2.405 3.158 . 0 0 "[ . 1 . 2]" 1
268 1 10 ARG HA 1 14 ASN H 2.735 . 4.235 3.858 3.411 4.377 0.142 15 0 "[ . 1 . 2]" 1
269 1 11 VAL HA 1 14 ASN H 2.610 . 4.110 4.149 4.026 4.218 0.108 10 0 "[ . 1 . 2]" 1
270 1 14 ASN H 1 15 TYR QB 2.705 . 5.205 4.408 4.265 4.555 . 0 0 "[ . 1 . 2]" 1
271 1 13 LEU HB2 1 14 ASN H 2.520 . 3.520 2.515 2.156 2.804 . 0 0 "[ . 1 . 2]" 1
272 1 13 LEU HB3 1 14 ASN H 2.520 . 3.520 3.351 3.008 3.555 0.035 2 0 "[ . 1 . 2]" 1
273 1 42 LEU H 1 43 TYR H 2.590 . 3.590 2.647 2.227 2.821 . 0 0 "[ . 1 . 2]" 1
274 1 42 LEU HB2 1 43 TYR H 2.700 . 3.700 3.675 2.924 3.878 0.178 20 0 "[ . 1 . 2]" 1
275 1 42 LEU HB3 1 43 TYR H 2.700 . 3.700 3.000 2.681 3.801 0.101 11 0 "[ . 1 . 2]" 1
276 1 15 TYR QD 1 16 LEU H 2.755 . 3.755 3.504 2.826 3.778 0.023 16 0 "[ . 1 . 2]" 1
277 1 15 TYR QB 1 16 LEU H 2.500 . 3.500 2.568 2.300 2.756 . 0 0 "[ . 1 . 2]" 1
278 1 93 PRO HA 1 96 MET H 2.500 . 4.000 3.610 3.355 3.855 . 0 0 "[ . 1 . 2]" 1
279 1 7 ALA MB 1 8 GLN H 2.500 . 3.500 2.452 2.012 2.738 . 0 0 "[ . 1 . 2]" 1
280 1 83 LEU H 1 84 ARG H 2.500 . 3.500 2.807 2.685 2.876 . 0 0 "[ . 1 . 2]" 1
281 1 82 LEU H 1 83 LEU H 2.500 . 3.500 2.727 2.579 2.856 . 0 0 "[ . 1 . 2]" 1
282 1 82 LEU QD 1 83 LEU H 2.755 . 6.055 3.082 2.732 3.495 . 0 0 "[ . 1 . 2]" 1
283 1 79 ILE MG 1 83 LEU H 3.150 . 4.650 3.367 3.050 3.598 . 0 0 "[ . 1 . 2]" 1
284 1 69 GLN HA 1 73 TYR H 2.505 . 3.505 3.317 2.856 3.522 0.017 14 0 "[ . 1 . 2]" 1
285 1 57 ALA H 1 58 ILE H 2.500 . 3.500 2.717 2.561 2.852 . 0 0 "[ . 1 . 2]" 1
286 1 57 ALA MB 1 58 ILE H 2.500 . 3.500 2.411 2.264 2.585 . 0 0 "[ . 1 . 2]" 1
287 1 61 ASP H 1 62 ARG H 2.500 . 3.500 2.331 2.137 2.493 . 0 0 "[ . 1 . 2]" 1
288 1 59 CYS HA 1 62 ARG H 2.500 . 3.500 3.484 3.282 3.590 0.090 9 0 "[ . 1 . 2]" 1
289 1 77 LYS H 1 78 ASN H 2.725 . 3.725 2.781 2.586 3.067 . 0 0 "[ . 1 . 2]" 1
290 1 78 ASN H 1 79 ILE H 2.820 . 3.820 2.696 2.558 3.009 . 0 0 "[ . 1 . 2]" 1
291 1 43 TYR H 1 44 SER H 2.500 . 3.500 2.923 2.722 3.100 . 0 0 "[ . 1 . 2]" 1
292 1 43 TYR QB 1 44 SER H 2.500 . 3.500 2.136 1.980 2.379 . 0 0 "[ . 1 . 2]" 1
293 1 101 ALA HA 1 102 ASN H 2.500 . 3.500 3.537 3.508 3.568 0.068 8 0 "[ . 1 . 2]" 1
294 1 101 ALA MB 1 102 ASN H 2.500 . 3.500 2.588 2.288 2.816 . 0 0 "[ . 1 . 2]" 1
295 1 28 SER HA 1 29 SER H 2.500 . 3.500 2.666 2.454 2.725 . 0 0 "[ . 1 . 2]" 1
296 1 25 ILE H 1 26 GLN H 2.500 . 3.500 2.416 2.091 2.537 . 0 0 "[ . 1 . 2]" 1
297 1 25 ILE HB 1 26 GLN H 2.575 . 3.575 3.308 3.204 3.520 . 0 0 "[ . 1 . 2]" 1
298 1 25 ILE MG 1 26 GLN H 2.720 . 4.720 3.933 3.530 4.129 . 0 0 "[ . 1 . 2]" 1
299 1 33 PRO HA 1 34 ASN H 2.500 . 3.500 2.539 2.393 2.647 . 0 0 "[ . 1 . 2]" 1
300 1 63 ARG H 1 64 TRP QB 2.740 . 5.240 4.790 4.638 4.912 . 0 0 "[ . 1 . 2]" 1
301 1 58 ILE HB 1 63 ARG H 3.150 . 4.650 4.722 4.686 4.834 0.184 8 0 "[ . 1 . 2]" 1
302 1 58 ILE MG 1 63 ARG H 2.550 . 4.050 2.735 2.544 2.930 . 0 0 "[ . 1 . 2]" 1
303 1 60 LYS QB 1 61 ASP H 2.500 . 3.500 2.777 2.333 3.136 . 0 0 "[ . 1 . 2]" 1
304 1 27 GLY H 1 28 SER H 2.500 . 3.500 2.317 1.769 2.767 0.031 6 0 "[ . 1 . 2]" 1
305 1 26 GLN H 1 28 SER H 2.735 . 3.735 3.628 3.287 3.764 0.029 11 0 "[ . 1 . 2]" 1
306 1 24 GLU HA 1 28 SER H 2.515 . 4.515 3.357 2.734 4.352 . 0 0 "[ . 1 . 2]" 1
307 1 25 ILE HA 1 28 SER H 2.500 . 4.500 4.520 4.291 4.582 0.082 3 0 "[ . 1 . 2]" 1
308 1 8 GLN QB 1 9 THR H 2.500 . 3.500 2.845 2.719 3.263 . 0 0 "[ . 1 . 2]" 1
309 1 91 VAL HA 1 94 TYR H 2.550 . 3.550 3.220 3.010 3.416 . 0 0 "[ . 1 . 2]" 1
310 1 80 GLY H 1 81 SER H 2.500 . 3.500 2.757 2.671 2.889 . 0 0 "[ . 1 . 2]" 1
311 1 56 GLU HA 1 59 CYS H 2.845 . 3.845 3.412 3.026 3.604 . 0 0 "[ . 1 . 2]" 1
312 1 58 ILE HB 1 59 CYS H 2.625 . 3.625 2.680 2.451 2.915 . 0 0 "[ . 1 . 2]" 1
313 1 58 ILE MG 1 59 CYS H 2.910 . 4.410 3.756 3.575 3.935 . 0 0 "[ . 1 . 2]" 1
314 1 88 GLU H 1 89 ARG H 2.645 . 3.645 2.828 2.683 2.968 . 0 0 "[ . 1 . 2]" 1
315 1 51 GLU H 1 52 GLU H 2.500 . 3.500 2.597 2.399 2.807 . 0 0 "[ . 1 . 2]" 1
316 1 52 GLU H 1 53 GLY H 2.500 . 3.500 2.452 2.315 2.632 . 0 0 "[ . 1 . 2]" 1
317 1 87 TYR HA 1 89 ARG H 5.150 . 6.150 4.144 3.819 4.400 . 0 0 "[ . 1 . 2]" 1
318 1 48 ILE HA 1 52 GLU H 3.150 . 4.150 4.067 3.867 4.187 0.037 7 0 "[ . 1 . 2]" 1
319 1 49 VAL HA 1 52 GLU H 2.695 . 3.695 3.377 3.192 3.637 . 0 0 "[ . 1 . 2]" 1
320 1 106 ASN H 1 107 THR H 2.735 . 3.735 2.576 2.243 2.832 . 0 0 "[ . 1 . 2]" 1
321 1 86 HIS HA 1 89 ARG H 2.500 . 3.500 3.532 3.356 3.621 0.121 8 0 "[ . 1 . 2]" 1
322 1 90 ILE H 1 91 VAL H 2.500 . 3.500 2.280 2.028 2.551 . 0 0 "[ . 1 . 2]" 1
323 1 98 GLN QB 1 99 SER H 2.500 . 3.500 2.381 2.195 2.526 . 0 0 "[ . 1 . 2]" 1
324 1 71 LEU H 1 72 ASN H 2.500 . 3.500 2.647 2.489 2.754 . 0 0 "[ . 1 . 2]" 1
325 1 69 GLN HA 1 72 ASN H 2.500 . 4.500 3.590 3.218 3.996 . 0 0 "[ . 1 . 2]" 1
326 1 84 ARG QB 1 85 SER H 2.500 . 3.500 2.548 2.251 2.741 . 0 0 "[ . 1 . 2]" 1
327 1 83 LEU HG 1 85 SER H 4.675 . 5.675 5.515 5.301 5.713 0.038 1 0 "[ . 1 . 2]" 1
328 1 45 LEU H 1 46 SER H 2.500 . 3.500 2.773 2.626 2.942 . 0 0 "[ . 1 . 2]" 1
329 1 43 TYR HA 1 46 SER H 2.890 . 3.890 3.729 3.395 3.944 0.054 14 0 "[ . 1 . 2]" 1
330 1 45 LEU HB2 1 46 SER H 2.705 . 4.205 3.828 3.737 3.950 . 0 0 "[ . 1 . 2]" 1
331 1 45 LEU HB3 1 46 SER H 2.705 . 3.705 2.504 2.357 2.748 . 0 0 "[ . 1 . 2]" 1
332 1 46 SER H 1 47 LYS QG 2.620 . 4.120 4.116 3.960 4.232 0.112 15 0 "[ . 1 . 2]" 1
333 1 71 LEU QB 1 72 ASN QD 2.650 . 4.650 4.432 3.762 4.841 0.191 12 0 "[ . 1 . 2]" 1
334 1 53 GLY H 1 54 GLY H 2.500 . 3.500 2.503 2.401 2.704 . 0 0 "[ . 1 . 2]" 1
335 1 49 VAL MG1 1 54 GLY H 3.150 . 4.150 3.362 2.860 3.927 . 0 0 "[ . 1 . 2]" 1
336 1 54 GLY H 1 58 ILE MD 2.755 . 3.755 3.370 3.088 3.794 0.039 17 0 "[ . 1 . 2]" 1
337 1 79 ILE H 1 80 GLY H 2.640 . 3.640 2.549 2.099 2.683 . 0 0 "[ . 1 . 2]" 1
338 1 79 ILE HB 1 80 GLY H 2.775 . 3.775 3.108 2.889 3.363 . 0 0 "[ . 1 . 2]" 1
339 1 68 ALA MB 1 80 GLY H 2.635 . 3.635 3.493 3.043 3.693 0.058 11 0 "[ . 1 . 2]" 1
340 1 79 ILE MG 1 80 GLY H 2.765 . 4.765 3.773 3.629 3.978 . 0 0 "[ . 1 . 2]" 1
341 1 36 GLU H 1 37 ARG H 2.595 . 3.595 2.558 2.497 2.634 . 0 0 "[ . 1 . 2]" 1
342 1 36 GLU HB2 1 37 ARG H 2.805 . 4.305 4.030 3.940 4.482 0.177 15 0 "[ . 1 . 2]" 1
343 1 36 GLU HB3 1 37 ARG H 2.805 . 4.305 4.418 4.376 4.464 0.159 3 0 "[ . 1 . 2]" 1
344 1 26 GLN H 1 27 GLY H 2.500 . 3.500 2.813 2.548 3.531 0.031 15 0 "[ . 1 . 2]" 1
345 1 59 CYS H 1 64 TRP HE1 2.855 . 3.855 3.669 3.450 3.887 0.032 18 0 "[ . 1 . 2]" 1
346 1 58 ILE HA 1 61 ASP H 2.785 . 3.785 3.679 3.334 3.866 0.081 10 0 "[ . 1 . 2]" 1
347 1 9 THR HA 1 12 LYS H 2.500 . 4.000 4.047 3.409 4.157 0.157 1 0 "[ . 1 . 2]" 1
348 1 58 ILE MD 1 59 CYS H 3.135 . 4.635 4.456 4.252 4.681 0.046 13 0 "[ . 1 . 2]" 1
349 1 52 GLU H 1 58 ILE MD 3.070 . 4.070 3.769 3.283 4.081 0.011 7 0 "[ . 1 . 2]" 1
350 1 34 ASN HA 1 39 ILE H 3.130 . 5.130 4.700 4.267 5.032 . 0 0 "[ . 1 . 2]" 1
351 1 34 ASN HA 1 38 ARG H 2.860 . 4.860 4.797 4.445 4.930 0.070 8 0 "[ . 1 . 2]" 1
352 1 55 TYR HA 1 58 ILE H 2.710 . 3.710 3.670 3.522 3.792 0.082 15 0 "[ . 1 . 2]" 1
353 1 84 ARG HA 1 87 TYR H 3.050 . 4.050 3.449 3.202 3.738 . 0 0 "[ . 1 . 2]" 1
354 1 52 GLU H 1 54 GLY H 4.955 . 5.955 4.318 4.061 4.519 . 0 0 "[ . 1 . 2]" 1
355 1 54 GLY H 1 57 ALA H 2.865 . 4.865 4.861 4.661 4.944 0.079 17 0 "[ . 1 . 2]" 1
356 1 63 ARG H 1 65 ALA H 5.095 . 6.095 4.526 4.262 4.760 . 0 0 "[ . 1 . 2]" 1
357 1 87 TYR QD 1 88 GLU H 3.500 . 4.500 3.495 3.155 3.844 . 0 0 "[ . 1 . 2]" 1
358 1 87 TYR QE 1 88 GLU H 3.500 . 7.000 5.745 5.436 6.065 . 0 0 "[ . 1 . 2]" 1
359 1 35 VAL H 1 37 ARG H 4.920 . 5.920 3.938 3.601 4.112 . 0 0 "[ . 1 . 2]" 1
360 1 9 THR HA 1 12 LYS QB 2.625 . 5.125 4.352 3.408 4.882 . 0 0 "[ . 1 . 2]" 1
361 1 12 LYS QB 1 13 LEU H 2.500 . 3.500 2.852 2.449 3.202 . 0 0 "[ . 1 . 2]" 1
362 1 12 LYS QE 1 43 TYR QD 2.755 . 3.755 2.579 1.723 3.477 0.077 5 0 "[ . 1 . 2]" 1
363 1 13 LEU QB 1 14 ASN H 2.500 . 3.500 2.443 2.120 2.691 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLN QE 1 19 ILE HB 3.070 . 4.070 3.470 1.785 4.044 0.015 2 0 "[ . 1 . 2]" 1
365 1 18 GLN QE 1 19 ILE MG 2.845 . 4.845 4.480 3.018 4.904 0.059 10 0 "[ . 1 . 2]" 1
366 1 18 GLN QE 1 19 ILE MD 3.070 . 4.070 3.573 2.090 4.146 0.076 9 0 "[ . 1 . 2]" 1
367 1 22 PHE QE 1 97 TYR QB 2.980 . 3.980 3.021 2.800 3.413 . 0 0 "[ . 1 . 2]" 1
368 1 26 GLN QB 1 28 SER H 4.730 . 5.730 3.705 3.233 4.110 . 0 0 "[ . 1 . 2]" 1
369 1 28 SER QB 1 29 SER H 2.500 . 4.000 2.290 1.930 3.002 . 0 0 "[ . 1 . 2]" 1
370 1 29 SER QB 1 30 LEU H 2.570 . 3.570 2.945 2.664 3.556 . 0 0 "[ . 1 . 2]" 1
371 1 30 LEU QD 1 31 LYS H 2.530 . 3.530 2.799 2.092 3.403 . 0 0 "[ . 1 . 2]" 1
372 1 34 ASN QB 1 35 VAL H 2.500 . 3.500 2.669 2.501 2.947 . 0 0 "[ . 1 . 2]" 1
373 1 35 VAL HB 1 79 ILE QG 2.690 . 4.690 4.471 3.727 4.785 0.095 18 0 "[ . 1 . 2]" 1
374 1 35 VAL QG 1 36 GLU H 2.500 . 3.500 2.371 2.150 2.700 . 0 0 "[ . 1 . 2]" 1
375 1 35 VAL QG 1 36 GLU QG 2.795 . 3.795 1.870 1.757 2.626 0.043 6 0 "[ . 1 . 2]" 1
376 1 35 VAL QG 1 79 ILE QG 3.040 . 4.040 2.221 1.795 2.507 0.005 15 0 "[ . 1 . 2]" 1
377 1 36 GLU QB 1 37 ARG H 2.500 . 5.000 3.732 3.682 3.966 . 0 0 "[ . 1 . 2]" 1
378 1 36 GLU QB 1 37 ARG QD 2.620 . 4.120 3.919 3.549 4.185 0.065 6 0 "[ . 1 . 2]" 1
379 1 36 GLU QB 1 73 TYR QE 2.980 . 4.480 3.276 2.399 4.515 0.035 15 0 "[ . 1 . 2]" 1
380 1 36 GLU QG 1 37 ARG H 2.975 . 5.475 4.540 3.576 4.699 . 0 0 "[ . 1 . 2]" 1
381 1 36 GLU QG 1 73 TYR QD 3.070 . 4.070 2.794 1.823 3.459 . 0 0 "[ . 1 . 2]" 1
382 1 36 GLU QG 1 73 TYR QE 2.720 . 4.220 3.848 2.413 4.241 0.021 19 0 "[ . 1 . 2]" 1
383 1 36 GLU QG 1 79 ILE MD 2.515 . 4.515 3.432 2.223 4.577 0.062 15 0 "[ . 1 . 2]" 1
384 1 42 LEU HA 1 45 LEU QB 2.955 . 3.955 2.207 2.014 2.496 . 0 0 "[ . 1 . 2]" 1
385 1 42 LEU QB 1 43 TYR H 2.500 . 3.500 2.843 2.617 3.183 . 0 0 "[ . 1 . 2]" 1
386 1 42 LEU QB 1 45 LEU QB 2.500 . 6.500 4.091 3.911 4.451 . 0 0 "[ . 1 . 2]" 1
387 1 45 LEU H 1 48 ILE QG 3.070 . 5.070 4.847 4.748 4.989 . 0 0 "[ . 1 . 2]" 1
388 1 45 LEU HA 1 48 ILE QG 2.500 . 4.000 3.898 3.462 4.066 0.066 17 0 "[ . 1 . 2]" 1
389 1 45 LEU QB 1 46 SER H 2.500 . 3.500 2.472 2.335 2.699 . 0 0 "[ . 1 . 2]" 1
390 1 45 LEU QB 1 48 ILE MG 3.805 . 6.305 5.506 5.260 5.809 . 0 0 "[ . 1 . 2]" 1
391 1 48 ILE QG 1 67 VAL QG 2.785 . 4.285 3.791 3.417 4.319 0.034 7 0 "[ . 1 . 2]" 1
392 1 48 ILE MD 1 67 VAL QG 2.500 . 3.500 2.381 1.787 3.242 0.013 10 0 "[ . 1 . 2]" 1
393 1 49 VAL H 1 50 VAL QG 2.705 . 6.205 4.133 4.035 4.234 . 0 0 "[ . 1 . 2]" 1
394 1 49 VAL HA 1 52 GLU QB 2.500 . 3.500 2.588 2.464 3.088 . 0 0 "[ . 1 . 2]" 1
395 1 49 VAL MG1 1 50 VAL QG 2.880 . 5.380 3.424 3.268 3.611 . 0 0 "[ . 1 . 2]" 1
396 1 49 VAL MG1 1 54 GLY QA 3.070 . 5.070 3.231 2.715 4.221 . 0 0 "[ . 1 . 2]" 1
397 1 52 GLU H 1 53 GLY QA 3.070 . 5.070 4.327 4.233 4.458 . 0 0 "[ . 1 . 2]" 1
398 1 52 GLU QB 1 58 ILE MG 2.540 . 5.540 3.745 3.464 4.079 . 0 0 "[ . 1 . 2]" 1
399 1 52 GLU QB 1 64 TRP HE3 2.500 . 7.000 6.693 6.359 7.051 0.051 17 0 "[ . 1 . 2]" 1
400 1 55 TYR QB 1 56 GLU H 2.500 . 3.500 2.458 2.137 2.730 . 0 0 "[ . 1 . 2]" 1
401 1 55 TYR QB 1 58 ILE MD 2.515 . 6.515 4.056 3.641 4.851 . 0 0 "[ . 1 . 2]" 1
402 1 58 ILE HA 1 61 ASP QB 2.530 . 3.530 2.995 2.657 3.530 0.000 2 0 "[ . 1 . 2]" 1
403 1 58 ILE MG 1 67 VAL QG 2.500 . 4.000 2.487 2.017 2.987 . 0 0 "[ . 1 . 2]" 1
404 1 58 ILE MD 1 67 VAL QG 2.500 . 5.500 2.953 2.496 3.543 . 0 0 "[ . 1 . 2]" 1
405 1 64 TRP HA 1 67 VAL QG 2.805 . 3.805 2.179 1.772 2.749 0.028 6 0 "[ . 1 . 2]" 1
406 1 64 TRP HE3 1 67 VAL QG 2.505 . 3.505 2.093 1.729 2.994 0.071 6 0 "[ . 1 . 2]" 1
407 1 64 TRP HZ3 1 67 VAL QG 2.770 . 3.770 2.763 2.316 3.647 . 0 0 "[ . 1 . 2]" 1
408 1 66 ARG QG 1 67 VAL QG 2.725 . 3.725 2.746 2.282 3.798 0.073 6 0 "[ . 1 . 2]" 1
409 1 67 VAL QG 1 68 ALA H 2.790 . 3.790 2.845 2.119 3.208 . 0 0 "[ . 1 . 2]" 1
410 1 67 VAL QG 1 68 ALA HA 2.500 . 4.000 3.287 2.947 3.531 . 0 0 "[ . 1 . 2]" 1
411 1 68 ALA MB 1 73 TYR HB2 3.500 . 6.500 2.339 1.764 2.914 0.036 18 0 "[ . 1 . 2]" 1
412 1 69 GLN HA 1 73 TYR QB 2.595 . 5.595 3.788 3.030 4.252 . 0 0 "[ . 1 . 2]" 1
413 1 70 ARG H 1 71 LEU QD 2.880 . 4.880 3.969 3.668 5.067 0.187 7 0 "[ . 1 . 2]" 1
414 1 70 ARG QB 1 71 LEU QD 2.500 . 4.500 2.574 2.066 4.316 . 0 0 "[ . 1 . 2]" 1
415 1 70 ARG QD 1 71 LEU QD 2.500 . 3.500 2.764 1.983 3.596 0.096 12 0 "[ . 1 . 2]" 1
416 1 73 TYR QB 1 79 ILE MG 4.070 . 5.570 3.150 2.433 3.859 . 0 0 "[ . 1 . 2]" 1
417 1 80 GLY HA2 1 83 LEU QB 2.615 . 3.615 2.560 2.362 2.812 . 0 0 "[ . 1 . 2]" 1
418 1 86 HIS QB 1 87 TYR H 2.510 . 3.510 2.816 2.622 3.060 . 0 0 "[ . 1 . 2]" 1
419 1 87 TYR QB 1 88 GLU H 2.500 . 3.500 2.374 2.221 2.591 . 0 0 "[ . 1 . 2]" 1
420 1 88 GLU QG 1 92 TYR QB 2.570 . 4.570 3.970 3.429 4.390 . 0 0 "[ . 1 . 2]" 1
421 1 88 GLU QG 1 92 TYR QD 2.500 . 3.500 2.986 2.063 3.551 0.051 16 0 "[ . 1 . 2]" 1
422 1 91 VAL QG 1 94 TYR QB 2.500 . 3.500 2.288 1.993 2.727 . 0 0 "[ . 1 . 2]" 1
423 1 93 PRO HA 1 96 MET QB 2.500 . 4.500 3.052 2.558 3.372 . 0 0 "[ . 1 . 2]" 1
424 1 93 PRO QB 1 94 TYR H 2.500 . 3.500 2.810 2.552 3.212 . 0 0 "[ . 1 . 2]" 1
425 1 94 TYR QB 1 95 GLU H 2.500 . 3.500 2.950 2.790 3.083 . 0 0 "[ . 1 . 2]" 1
426 1 95 GLU QB 1 96 MET H 2.500 . 3.500 2.309 2.150 2.483 . 0 0 "[ . 1 . 2]" 1
427 1 96 MET QB 1 97 TYR H 2.500 . 3.500 2.622 2.302 2.837 . 0 0 "[ . 1 . 2]" 1
428 1 100 GLY QA 1 103 LEU H 3.070 . 5.070 4.382 3.691 4.559 . 0 0 "[ . 1 . 2]" 1
429 1 108 ARG HA 1 109 PRO QD 2.500 . 4.000 3.587 3.554 3.617 . 0 0 "[ . 1 . 2]" 1
430 1 111 ASP QB 1 112 ASN H 2.590 . 3.590 2.757 2.218 3.526 . 0 0 "[ . 1 . 2]" 1
431 1 83 LEU HA 1 86 HIS HD2 2.955 . 3.955 3.781 3.053 4.003 0.048 15 0 "[ . 1 . 2]" 1
432 1 83 LEU HA 1 86 HIS QB 2.690 . 3.690 3.155 2.453 3.508 . 0 0 "[ . 1 . 2]" 1
433 1 40 LEU QD 1 86 HIS HD2 2.725 . 3.725 3.164 1.793 3.804 0.079 8 0 "[ . 1 . 2]" 1
434 1 40 LEU QD 1 83 LEU HA 2.500 . 3.500 2.819 2.037 3.294 . 0 0 "[ . 1 . 2]" 1
435 1 40 LEU QD 1 83 LEU QB 2.685 . 3.685 3.195 2.509 3.729 0.044 6 0 "[ . 1 . 2]" 1
436 1 40 LEU QD 1 86 HIS QB 2.500 . 3.500 2.650 2.205 3.056 . 0 0 "[ . 1 . 2]" 1
437 1 75 PRO QB 1 76 GLY H 2.500 . 3.500 2.562 1.740 3.043 0.060 18 0 "[ . 1 . 2]" 1
438 1 23 TRP HZ3 1 26 GLN HA 3.000 . 5.500 5.552 5.424 5.628 0.128 11 0 "[ . 1 . 2]" 1
439 1 28 SER H 1 29 SER H 3.000 . 4.500 4.341 4.314 4.392 . 0 0 "[ . 1 . 2]" 1
440 1 29 SER H 1 30 LEU H 3.000 . 4.500 4.362 4.102 4.527 0.027 6 0 "[ . 1 . 2]" 1
441 1 30 LEU H 1 31 LYS H 3.000 . 4.500 4.284 3.987 4.550 0.050 6 0 "[ . 1 . 2]" 1
442 1 31 LYS H 1 32 ILE H 3.000 . 4.000 3.832 3.370 4.017 0.017 20 0 "[ . 1 . 2]" 1
443 1 15 TYR QD 1 43 TYR H 3.000 . 5.000 4.915 4.538 5.090 0.090 6 0 "[ . 1 . 2]" 1
444 1 30 LEU MD1 1 32 ILE MG 3.000 . 4.000 2.238 1.957 2.812 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU MD1 1 32 ILE MD 3.000 . 4.000 3.311 2.720 3.982 . 0 0 "[ . 1 . 2]" 1
446 1 35 VAL QG 1 73 TYR QD 3.000 . 4.500 3.181 2.672 3.645 . 0 0 "[ . 1 . 2]" 1
447 1 35 VAL QG 1 86 HIS HD2 3.000 . 7.000 5.310 4.469 6.060 . 0 0 "[ . 1 . 2]" 1
448 1 35 VAL QG 1 73 TYR QE 3.000 . 4.000 2.524 1.970 2.916 . 0 0 "[ . 1 . 2]" 1
449 1 73 TYR QD 1 79 ILE MG 3.000 . 4.500 2.830 2.298 3.145 . 0 0 "[ . 1 . 2]" 1
450 1 73 TYR QE 1 79 ILE MG 3.000 . 4.000 3.123 2.748 3.664 . 0 0 "[ . 1 . 2]" 1
451 1 35 VAL MG1 1 79 ILE MG 3.000 . 4.000 2.069 1.799 2.458 0.001 8 0 "[ . 1 . 2]" 1
452 1 15 TYR QD 1 42 LEU QD 3.000 . 6.500 4.767 4.134 5.098 . 0 0 "[ . 1 . 2]" 1
453 1 15 TYR QE 1 42 LEU QD 3.000 . 4.000 3.202 2.732 3.507 . 0 0 "[ . 1 . 2]" 1
454 1 42 LEU QD 1 94 TYR QD 3.000 . 4.500 3.663 3.221 4.439 . 0 0 "[ . 1 . 2]" 1
455 1 42 LEU QD 1 94 TYR QE 3.000 . 4.000 3.909 3.193 4.110 0.110 16 0 "[ . 1 . 2]" 1
456 1 19 ILE MD 1 42 LEU QD 3.000 . 4.000 2.070 1.841 2.815 . 0 0 "[ . 1 . 2]" 1
457 1 19 ILE MG 1 42 LEU QB 3.000 . 5.000 4.056 3.625 4.600 . 0 0 "[ . 1 . 2]" 1
458 1 42 LEU QD 1 90 ILE MG 3.000 . 6.000 3.017 2.266 3.930 . 0 0 "[ . 1 . 2]" 1
459 1 42 LEU QD 1 91 VAL QG 3.000 . 4.000 1.854 1.674 2.505 0.126 20 0 "[ . 1 . 2]" 1
460 1 45 LEU QD 1 91 VAL QG 3.000 . 4.000 2.197 1.790 2.946 0.010 14 0 "[ . 1 . 2]" 1
461 1 42 LEU QD 1 45 LEU QD 3.000 . 4.000 2.646 1.990 3.294 . 0 0 "[ . 1 . 2]" 1
462 1 45 LEU QD 1 49 VAL QG 3.000 . 4.000 2.182 1.849 2.580 . 0 0 "[ . 1 . 2]" 1
463 1 55 TYR QD 1 87 TYR QD 3.000 . 4.500 3.808 3.468 4.300 . 0 0 "[ . 1 . 2]" 1
464 1 55 TYR QD 1 87 TYR QE 3.000 . 4.000 3.328 2.734 3.745 . 0 0 "[ . 1 . 2]" 1
465 1 55 TYR QE 1 87 TYR QD 3.000 . 4.000 3.370 3.166 3.524 . 0 0 "[ . 1 . 2]" 1
466 1 55 TYR QE 1 87 TYR QE 3.000 . 4.000 3.900 3.180 4.135 0.135 8 0 "[ . 1 . 2]" 1
467 1 45 LEU QD 1 55 TYR QD 3.000 . 6.000 4.515 3.850 5.082 . 0 0 "[ . 1 . 2]" 1
468 1 45 LEU QD 1 87 TYR QD 3.000 . 4.000 2.067 1.762 2.493 0.038 17 0 "[ . 1 . 2]" 1
469 1 45 LEU QD 1 87 TYR QE 3.000 . 4.000 2.538 1.830 3.249 . 0 0 "[ . 1 . 2]" 1
470 1 35 VAL MG1 1 73 TYR QE 3.000 . 4.000 2.544 1.981 2.942 . 0 0 "[ . 1 . 2]" 1
471 1 19 ILE MD 1 23 TRP HD1 3.000 . 7.000 6.158 4.194 7.066 0.066 4 0 "[ . 1 . 2]" 1
472 1 19 ILE MD 1 94 TYR QE 3.000 . 4.000 2.309 1.798 2.886 0.002 11 0 "[ . 1 . 2]" 1
473 1 15 TYR QE 1 42 LEU H 3.000 . 4.500 4.300 3.843 4.558 0.058 13 0 "[ . 1 . 2]" 1
474 1 40 LEU QD 1 73 TYR QE 3.000 . 6.000 3.300 2.285 4.544 . 0 0 "[ . 1 . 2]" 1
475 1 32 ILE MG 1 90 ILE MG 3.000 . 5.000 2.738 2.358 3.192 . 0 0 "[ . 1 . 2]" 1
476 1 32 ILE MD 1 90 ILE MG 3.000 . 5.000 4.939 4.484 5.085 0.085 4 0 "[ . 1 . 2]" 1
477 1 40 LEU QD 1 90 ILE MG 3.000 . 5.500 4.634 3.656 5.364 . 0 0 "[ . 1 . 2]" 1
478 1 87 TYR QD 1 92 TYR H 3.000 . 4.500 3.365 3.150 3.745 . 0 0 "[ . 1 . 2]" 1
479 1 71 LEU H 1 73 TYR H 3.000 . 4.500 3.739 3.453 4.093 . 0 0 "[ . 1 . 2]" 1
480 1 72 ASN H 1 73 TYR H 3.000 . 4.000 2.587 2.485 2.767 . 0 0 "[ . 1 . 2]" 1
481 1 68 ALA MB 1 73 TYR QD 3.000 . 4.000 2.218 1.978 2.424 . 0 0 "[ . 1 . 2]" 1
482 1 68 ALA MB 1 73 TYR QE 3.000 . 4.000 3.974 3.610 4.113 0.113 12 0 "[ . 1 . 2]" 1
483 1 73 TYR QD 1 74 PRO QD 3.000 . 4.000 2.905 2.511 3.355 . 0 0 "[ . 1 . 2]" 1
484 1 58 ILE MD 1 87 TYR QD 3.000 . 7.000 5.684 5.207 6.404 . 0 0 "[ . 1 . 2]" 1
485 1 22 PHE QE 1 94 TYR QD 3.000 . 4.000 3.782 3.659 3.891 . 0 0 "[ . 1 . 2]" 1
486 1 22 PHE QD 1 94 TYR QE 3.000 . 4.000 2.789 2.712 2.884 . 0 0 "[ . 1 . 2]" 1
487 1 22 PHE QE 1 94 TYR QE 3.000 . 4.500 3.823 3.635 4.037 . 0 0 "[ . 1 . 2]" 1
488 1 22 PHE QD 1 94 TYR QD 3.000 . 4.500 3.870 3.649 4.127 . 0 0 "[ . 1 . 2]" 1
489 1 22 PHE QE 1 97 TYR QD 3.000 . 4.000 3.103 2.714 3.409 . 0 0 "[ . 1 . 2]" 1
490 1 22 PHE QE 1 97 TYR QE 3.000 . 4.500 3.662 3.143 4.311 . 0 0 "[ . 1 . 2]" 1
491 1 22 PHE QD 1 97 TYR QE 3.000 . 4.000 3.776 3.285 4.032 0.032 19 0 "[ . 1 . 2]" 1
492 1 94 TYR QD 1 97 TYR HD2 3.000 . 4.000 2.496 1.909 2.831 . 0 0 "[ . 1 . 2]" 1
493 1 94 TYR QE 1 97 TYR HE2 3.000 . 4.000 3.752 2.990 4.065 0.065 6 0 "[ . 1 . 2]" 1
494 1 94 TYR QD 1 97 TYR HE2 3.000 . 4.500 3.875 3.213 4.447 . 0 0 "[ . 1 . 2]" 1
495 1 94 TYR QE 1 97 TYR HD2 3.000 . 4.500 3.709 2.988 4.133 . 0 0 "[ . 1 . 2]" 1
496 1 55 TYR QE 1 64 TRP HH2 3.000 . 4.500 3.859 2.912 4.522 0.022 6 0 "[ . 1 . 2]" 1
497 1 55 TYR QE 1 64 TRP HZ2 3.000 . 4.000 2.475 2.055 2.899 . 0 0 "[ . 1 . 2]" 1
498 1 100 GLY H 1 101 ALA H 3.000 . 4.000 2.656 2.586 2.696 . 0 0 "[ . 1 . 2]" 1
499 1 102 ASN H 1 103 LEU H 3.000 . 4.000 2.572 2.430 2.791 . 0 0 "[ . 1 . 2]" 1
500 1 103 LEU H 1 104 VAL H 3.000 . 4.500 4.028 3.864 4.153 . 0 0 "[ . 1 . 2]" 1
501 1 108 ARG H 1 110 PHE H 3.000 . 6.000 3.827 3.423 4.272 . 0 0 "[ . 1 . 2]" 1
502 1 110 PHE H 1 111 ASP H 3.000 . 4.000 2.946 2.714 3.297 . 0 0 "[ . 1 . 2]" 1
503 1 112 ASN H 1 113 GLU H 3.000 . 4.000 2.645 2.455 2.940 . 0 0 "[ . 1 . 2]" 1
504 1 113 GLU H 1 114 GLU H 3.000 . 4.000 2.477 2.209 2.764 . 0 0 "[ . 1 . 2]" 1
505 1 114 GLU H 1 115 LYS H 3.000 . 4.000 2.658 2.511 2.798 . 0 0 "[ . 1 . 2]" 1
506 1 115 LYS H 1 116 ASP H 3.000 . 4.000 2.983 2.162 4.100 0.100 9 0 "[ . 1 . 2]" 1
507 1 92 TYR QD 1 110 PHE HE1 3.000 . 4.500 4.399 4.226 4.495 . 0 0 "[ . 1 . 2]" 1
508 1 92 TYR QE 1 110 PHE HD1 3.000 . 4.500 4.176 3.986 4.382 . 0 0 "[ . 1 . 2]" 1
509 1 92 TYR QD 1 110 PHE HE2 3.000 . 4.500 3.778 3.243 4.391 . 0 0 "[ . 1 . 2]" 1
510 1 92 TYR QE 1 110 PHE HD2 3.000 . 4.500 3.698 3.227 4.185 . 0 0 "[ . 1 . 2]" 1
511 1 96 MET ME 1 110 PHE QD 3.000 . 5.000 3.236 1.778 5.080 0.080 14 0 "[ . 1 . 2]" 1
512 1 55 TYR QD 1 95 GLU HA 3.000 . 6.500 6.295 5.603 6.591 0.091 14 0 "[ . 1 . 2]" 1
513 1 87 TYR QE 1 95 GLU HA 3.000 . 5.000 4.661 3.920 5.041 0.041 6 0 "[ . 1 . 2]" 1
514 1 55 TYR QD 1 95 GLU HB2 3.000 . 4.500 4.444 4.109 4.603 0.103 15 0 "[ . 1 . 2]" 1
515 1 87 TYR QD 1 95 GLU HB2 3.000 . 5.500 4.918 4.195 5.566 0.066 2 0 "[ . 1 . 2]" 1
516 1 95 GLU HG2 1 110 PHE QD 3.000 . 5.000 4.692 4.012 5.108 0.108 1 0 "[ . 1 . 2]" 1
517 1 50 VAL QG 1 103 LEU QD 3.000 . 5.000 3.769 2.322 5.029 0.029 12 0 "[ . 1 . 2]" 1
518 1 96 MET ME 1 104 VAL QG 3.000 . 6.000 3.842 2.277 4.785 . 0 0 "[ . 1 . 2]" 1
519 1 99 SER QB 1 104 VAL QG 3.000 . 6.000 3.183 2.327 5.630 . 0 0 "[ . 1 . 2]" 1
520 1 104 VAL QG 1 106 ASN QB 3.000 . 6.000 3.785 2.359 5.330 . 0 0 "[ . 1 . 2]" 1
521 1 104 VAL QG 1 106 ASN HD21 3.000 . 5.000 4.708 3.581 5.092 0.092 15 0 "[ . 1 . 2]" 1
522 1 104 VAL QG 1 106 ASN HD22 3.000 . 6.500 4.645 2.817 5.929 . 0 0 "[ . 1 . 2]" 1
523 1 95 GLU QG 1 106 ASN HD21 3.000 . 5.000 2.959 1.772 4.902 0.028 9 0 "[ . 1 . 2]" 1
524 1 95 GLU QG 1 106 ASN HD22 3.000 . 5.000 3.616 2.044 5.010 0.010 11 0 "[ . 1 . 2]" 1
525 1 104 VAL QG 1 107 THR HA 3.000 . 5.000 3.692 2.332 5.004 0.004 5 0 "[ . 1 . 2]" 1
526 1 104 VAL QG 1 107 THR HG1 3.000 . 4.000 2.249 1.774 2.909 0.026 5 0 "[ . 1 . 2]" 1
527 1 23 TRP HE1 1 30 LEU MD1 3.000 . 4.000 3.612 3.444 3.757 . 0 0 "[ . 1 . 2]" 1
528 1 23 TRP HE1 1 30 LEU MD2 3.000 . 6.000 5.907 5.476 6.048 0.048 7 0 "[ . 1 . 2]" 1
529 1 40 LEU HA 1 41 ASP H 3.000 . 4.000 2.203 2.164 2.238 . 0 0 "[ . 1 . 2]" 1
530 1 40 LEU HG 1 41 ASP H 3.000 . 4.000 3.886 3.330 4.037 0.037 18 0 "[ . 1 . 2]" 1
531 1 35 VAL QG 1 71 LEU MD2 3.000 . 6.000 4.603 4.138 5.061 . 0 0 "[ . 1 . 2]" 1
532 1 11 VAL MG1 1 43 TYR QD 3.000 . 5.500 5.012 4.521 5.573 0.073 9 0 "[ . 1 . 2]" 1
533 1 11 VAL MG2 1 43 TYR QD 3.000 . 5.000 4.249 3.388 4.880 . 0 0 "[ . 1 . 2]" 1
534 1 11 VAL MG1 1 43 TYR QE 3.000 . 5.000 4.051 3.510 4.670 . 0 0 "[ . 1 . 2]" 1
535 1 11 VAL MG2 1 43 TYR QE 3.000 . 5.000 2.859 2.060 3.985 . 0 0 "[ . 1 . 2]" 1
536 1 20 ALA MB 1 30 LEU MD2 3.000 . 4.000 2.553 2.237 3.096 . 0 0 "[ . 1 . 2]" 1
537 1 20 ALA MB 1 30 LEU MD1 3.000 . 5.500 4.487 4.096 5.002 . 0 0 "[ . 1 . 2]" 1
538 1 55 TYR HE2 1 92 TYR QD 3.000 . 4.500 3.945 3.196 4.226 . 0 0 "[ . 1 . 2]" 1
539 1 55 TYR HD2 1 92 TYR QD 3.000 . 4.500 4.054 3.543 4.478 . 0 0 "[ . 1 . 2]" 1
540 1 55 TYR HE2 1 92 TYR QE 3.000 . 4.000 3.001 2.478 3.188 . 0 0 "[ . 1 . 2]" 1
541 1 55 TYR HD2 1 92 TYR QE 3.000 . 4.000 2.652 2.349 2.992 . 0 0 "[ . 1 . 2]" 1
542 1 87 TYR HD1 1 92 TYR QD 3.000 . 4.500 3.769 3.556 3.954 . 0 0 "[ . 1 . 2]" 1
543 1 87 TYR HE1 1 92 TYR QD 3.000 . 4.000 2.627 2.181 3.176 . 0 0 "[ . 1 . 2]" 1
544 1 87 TYR HD1 1 92 TYR QE 3.000 . 6.000 4.963 4.526 5.168 . 0 0 "[ . 1 . 2]" 1
545 1 87 TYR HE1 1 92 TYR QE 3.000 . 4.500 4.013 3.473 4.437 . 0 0 "[ . 1 . 2]" 1
546 1 23 TRP HE3 1 28 SER QB 3.000 . 4.000 3.958 3.755 4.063 0.063 6 0 "[ . 1 . 2]" 1
547 1 23 TRP HZ3 1 28 SER QB 3.000 . 4.000 4.023 3.898 4.091 0.091 15 0 "[ . 1 . 2]" 1
548 1 26 GLN QB 1 28 SER QB 3.000 . 4.000 3.325 2.937 3.663 . 0 0 "[ . 1 . 2]" 1
549 1 25 ILE MD 1 29 SER QB 3.000 . 7.000 6.991 6.404 7.097 0.097 9 0 "[ . 1 . 2]" 1
550 1 5 LEU MD1 1 43 TYR QD 3.000 . 5.000 3.208 2.208 4.243 . 0 0 "[ . 1 . 2]" 1
551 1 5 LEU MD2 1 43 TYR QD 3.000 . 5.500 3.755 3.081 4.604 . 0 0 "[ . 1 . 2]" 1
552 1 5 LEU MD1 1 43 TYR QE 3.000 . 5.500 4.483 1.790 5.668 0.168 7 0 "[ . 1 . 2]" 1
553 1 5 LEU MD2 1 43 TYR QE 3.000 . 5.000 4.601 1.796 5.174 0.174 3 0 "[ . 1 . 2]" 1
554 1 5 LEU MD1 1 15 TYR QD 3.000 . 5.500 3.943 1.838 5.126 . 0 0 "[ . 1 . 2]" 1
555 1 5 LEU MD2 1 15 TYR QD 3.000 . 5.000 2.889 2.091 4.240 . 0 0 "[ . 1 . 2]" 1
556 1 5 LEU MD1 1 15 TYR QE 3.000 . 5.000 3.976 2.633 5.085 0.085 10 0 "[ . 1 . 2]" 1
557 1 5 LEU MD2 1 15 TYR QE 3.000 . 5.000 3.243 1.763 5.071 0.071 1 0 "[ . 1 . 2]" 1
558 1 5 LEU MD2 1 12 LYS QE 3.000 . 5.000 3.686 1.829 5.016 0.016 13 0 "[ . 1 . 2]" 1
559 1 5 LEU MD2 1 12 LYS HA 3.000 . 5.000 4.470 3.578 5.023 0.023 17 0 "[ . 1 . 2]" 1
560 1 5 LEU MD2 1 15 TYR QB 3.000 . 5.000 4.213 3.387 5.018 0.018 10 0 "[ . 1 . 2]" 1
561 1 2 MET ME 1 19 ILE MG 3.000 . 5.000 3.937 2.770 5.010 0.010 9 0 "[ . 1 . 2]" 1
562 1 5 LEU MD1 1 42 LEU QB 3.000 . 5.000 4.314 3.187 5.031 0.031 13 0 "[ . 1 . 2]" 1
563 1 5 LEU MD2 1 42 LEU QB 3.000 . 5.000 4.098 2.973 5.072 0.072 7 0 "[ . 1 . 2]" 1
564 1 9 THR MG 1 13 LEU QD 3.000 . 5.000 2.737 2.138 3.626 . 0 0 "[ . 1 . 2]" 1
565 1 9 THR HB 1 13 LEU QD 3.000 . 6.000 4.613 4.021 5.722 . 0 0 "[ . 1 . 2]" 1
566 1 9 THR HB 1 10 ARG QG 3.000 . 6.000 4.891 3.104 6.011 0.011 10 0 "[ . 1 . 2]" 1
567 1 9 THR HA 1 12 LYS HB2 3.000 . 5.000 4.509 3.546 5.026 0.026 14 0 "[ . 1 . 2]" 1
568 1 8 GLN QB 1 12 LYS QG 3.000 . 5.000 2.251 1.719 4.567 0.081 16 0 "[ . 1 . 2]" 1
569 1 8 GLN QB 1 12 LYS QE 3.000 . 5.000 3.563 2.279 4.603 . 0 0 "[ . 1 . 2]" 1
570 1 8 GLN HA 1 9 THR H 3.000 . 5.000 2.300 2.248 2.399 . 0 0 "[ . 1 . 2]" 1
571 1 8 GLN H 1 12 LYS QB 3.000 . 5.000 3.634 2.925 4.629 . 0 0 "[ . 1 . 2]" 1
572 1 35 VAL QG 1 82 LEU HB2 3.000 . 4.500 4.239 3.367 4.565 0.065 18 0 "[ . 1 . 2]" 1
573 1 35 VAL QG 1 82 LEU QD 3.000 . 4.500 2.578 1.909 3.145 . 0 0 "[ . 1 . 2]" 1
574 1 5 LEU QD 1 39 ILE MG 3.000 . 5.500 3.007 2.120 3.652 . 0 0 "[ . 1 . 2]" 1
575 1 5 LEU QD 1 39 ILE MD 3.000 . 5.500 2.734 2.048 3.702 . 0 0 "[ . 1 . 2]" 1
576 1 5 LEU HA 1 39 ILE MD 3.000 . 5.000 4.184 3.113 5.027 0.027 7 0 "[ . 1 . 2]" 1
577 1 5 LEU HA 1 39 ILE MG 3.000 . 5.000 3.392 2.419 4.416 . 0 0 "[ . 1 . 2]" 1
578 1 5 LEU HG 1 39 ILE MD 3.000 . 5.500 4.450 3.579 5.279 . 0 0 "[ . 1 . 2]" 1
579 1 108 ARG HA 1 110 PHE QD 3.000 . 6.000 5.919 4.678 6.174 0.174 1 0 "[ . 1 . 2]" 1
580 1 60 LYS QE 1 113 GLU HA 3.000 . 7.000 4.260 2.240 6.958 . 0 0 "[ . 1 . 2]" 1
581 1 56 GLU QG 1 113 GLU HA 3.000 . 7.000 4.615 3.293 6.422 . 0 0 "[ . 1 . 2]" 1
582 1 60 LYS QD 1 116 ASP HA 3.000 . 7.000 5.945 3.829 7.063 0.063 5 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 78
_Distance_constraint_stats_list.Viol_count 531
_Distance_constraint_stats_list.Viol_total 467.915
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.0441
_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 2 MET 0.593 0.078 19 0 "[ . 1 . 2]"
1 3 ASN 1.432 0.137 15 0 "[ . 1 . 2]"
1 6 GLU 0.593 0.078 19 0 "[ . 1 . 2]"
1 7 ALA 1.432 0.137 15 0 "[ . 1 . 2]"
1 13 LEU 0.222 0.041 8 0 "[ . 1 . 2]"
1 14 ASN 1.921 0.086 2 0 "[ . 1 . 2]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.276 0.067 3 0 "[ . 1 . 2]"
1 17 ASP 0.679 0.069 6 0 "[ . 1 . 2]"
1 18 GLN 3.279 0.106 2 0 "[ . 1 . 2]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.276 0.067 3 0 "[ . 1 . 2]"
1 21 LYS 0.458 0.069 6 0 "[ . 1 . 2]"
1 22 PHE 1.358 0.106 2 0 "[ . 1 . 2]"
1 33 PRO 0.938 0.094 1 0 "[ . 1 . 2]"
1 35 VAL 0.238 0.040 4 0 "[ . 1 . 2]"
1 38 ARG 0.238 0.040 4 0 "[ . 1 . 2]"
1 40 LEU 0.938 0.094 1 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TYR 2.211 0.126 12 0 "[ . 1 . 2]"
1 44 SER 0.057 0.022 13 0 "[ . 1 . 2]"
1 45 LEU 0.039 0.032 15 0 "[ . 1 . 2]"
1 46 SER 0.799 0.076 3 0 "[ . 1 . 2]"
1 47 LYS 2.682 0.126 12 0 "[ . 1 . 2]"
1 48 ILE 0.091 0.034 17 0 "[ . 1 . 2]"
1 49 VAL 0.039 0.032 15 0 "[ . 1 . 2]"
1 50 VAL 0.799 0.076 3 0 "[ . 1 . 2]"
1 51 GLU 0.472 0.071 9 0 "[ . 1 . 2]"
1 52 GLU 0.034 0.034 17 0 "[ . 1 . 2]"
1 55 TYR 0.305 0.089 1 0 "[ . 1 . 2]"
1 56 GLU 0.082 0.067 18 0 "[ . 1 . 2]"
1 57 ALA 0.569 0.069 17 0 "[ . 1 . 2]"
1 59 CYS 0.305 0.089 1 0 "[ . 1 . 2]"
1 60 LYS 0.082 0.067 18 0 "[ . 1 . 2]"
1 61 ASP 0.569 0.069 17 0 "[ . 1 . 2]"
1 64 TRP 0.025 0.014 7 0 "[ . 1 . 2]"
1 65 ALA 1.013 0.079 14 0 "[ . 1 . 2]"
1 66 ARG 0.163 0.050 17 0 "[ . 1 . 2]"
1 67 VAL 0.873 0.101 8 0 "[ . 1 . 2]"
1 68 ALA 0.025 0.014 7 0 "[ . 1 . 2]"
1 69 GLN 1.013 0.079 14 0 "[ . 1 . 2]"
1 70 ARG 0.163 0.050 17 0 "[ . 1 . 2]"
1 71 LEU 0.873 0.101 8 0 "[ . 1 . 2]"
1 80 GLY 0.101 0.043 8 0 "[ . 1 . 2]"
1 81 SER 0.031 0.027 15 0 "[ . 1 . 2]"
1 82 LEU 2.216 0.152 14 0 "[ . 1 . 2]"
1 83 LEU 0.241 0.111 14 0 "[ . 1 . 2]"
1 84 ARG 0.101 0.043 8 0 "[ . 1 . 2]"
1 85 SER 0.031 0.027 15 0 "[ . 1 . 2]"
1 86 HIS 2.216 0.152 14 0 "[ . 1 . 2]"
1 87 TYR 0.241 0.111 14 0 "[ . 1 . 2]"
1 93 PRO 0.552 0.073 19 0 "[ . 1 . 2]"
1 94 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLU 0.696 0.145 2 0 "[ . 1 . 2]"
1 96 MET 1.120 0.176 2 0 "[ . 1 . 2]"
1 97 TYR 1.821 0.128 20 0 "[ . 1 . 2]"
1 98 GLN 0.537 0.090 2 0 "[ . 1 . 2]"
1 99 SER 1.153 0.145 2 0 "[ . 1 . 2]"
1 100 GLY 1.120 0.176 2 0 "[ . 1 . 2]"
1 101 ALA 1.269 0.128 20 0 "[ . 1 . 2]"
1 102 ASN 0.537 0.090 2 0 "[ . 1 . 2]"
1 103 LEU 0.457 0.076 5 0 "[ . 1 . 2]"
1 109 PRO 0.620 0.093 1 0 "[ . 1 . 2]"
1 110 PHE 1.147 0.114 18 0 "[ . 1 . 2]"
1 111 ASP 0.331 0.069 2 0 "[ . 1 . 2]"
1 113 GLU 0.620 0.093 1 0 "[ . 1 . 2]"
1 114 GLU 1.147 0.114 18 0 "[ . 1 . 2]"
1 115 LYS 0.331 0.069 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 LEU O 1 17 ASP N 2.700 2.200 3.000 2.899 2.773 3.011 0.011 8 0 "[ . 1 . 2]" 2
2 1 13 LEU O 1 17 ASP H 1.700 . 2.000 1.959 1.863 2.041 0.041 8 0 "[ . 1 . 2]" 2
3 1 14 ASN O 1 18 GLN N 2.700 2.200 3.000 3.033 2.996 3.061 0.061 11 0 "[ . 1 . 2]" 2
4 1 14 ASN O 1 18 GLN H 1.700 . 2.000 2.063 2.024 2.086 0.086 2 0 "[ . 1 . 2]" 2
5 1 15 TYR O 1 19 ILE N 2.700 2.200 3.000 2.757 2.726 2.861 . 0 0 "[ . 1 . 2]" 2
6 1 15 TYR O 1 19 ILE H 1.700 . 2.000 1.819 1.773 1.908 . 0 0 "[ . 1 . 2]" 2
7 1 16 LEU O 1 20 ALA N 2.700 2.200 3.000 2.841 2.749 2.926 . 0 0 "[ . 1 . 2]" 2
8 1 16 LEU O 1 20 ALA H 1.700 . 2.000 2.004 1.924 2.067 0.067 3 0 "[ . 1 . 2]" 2
9 1 17 ASP O 1 21 LYS N 2.700 2.200 3.000 2.930 2.784 3.012 0.012 11 0 "[ . 1 . 2]" 2
10 1 17 ASP O 1 21 LYS H 1.700 . 2.000 2.002 1.909 2.069 0.069 6 0 "[ . 1 . 2]" 2
11 1 18 GLN O 1 22 PHE N 2.700 2.200 3.000 2.998 2.861 3.059 0.059 2 0 "[ . 1 . 2]" 2
12 1 18 GLN O 1 22 PHE H 1.700 . 2.000 2.048 1.934 2.106 0.106 2 0 "[ . 1 . 2]" 2
13 1 42 LEU O 1 46 SER N 2.700 2.200 3.000 2.756 2.602 2.844 . 0 0 "[ . 1 . 2]" 2
14 1 42 LEU O 1 46 SER H 1.700 . 2.000 1.853 1.775 1.915 . 0 0 "[ . 1 . 2]" 2
15 1 43 TYR O 1 47 LYS N 2.700 2.200 3.000 3.038 2.917 3.096 0.096 4 0 "[ . 1 . 2]" 2
16 1 43 TYR O 1 47 LYS H 1.700 . 2.000 2.065 1.945 2.126 0.126 12 0 "[ . 1 . 2]" 2
17 1 44 SER O 1 48 ILE N 2.700 2.200 3.000 2.852 2.745 2.946 . 0 0 "[ . 1 . 2]" 2
18 1 44 SER O 1 48 ILE H 1.700 . 2.000 1.947 1.864 2.022 0.022 13 0 "[ . 1 . 2]" 2
19 1 45 LEU O 1 49 VAL N 2.700 2.200 3.000 2.893 2.747 2.975 . 0 0 "[ . 1 . 2]" 2
20 1 45 LEU O 1 49 VAL H 1.700 . 2.000 1.935 1.810 2.032 0.032 15 0 "[ . 1 . 2]" 2
21 1 46 SER O 1 50 VAL N 2.700 2.200 3.000 2.985 2.900 3.042 0.042 13 0 "[ . 1 . 2]" 2
22 1 46 SER O 1 50 VAL H 1.700 . 2.000 2.026 1.926 2.076 0.076 3 0 "[ . 1 . 2]" 2
23 1 47 LYS O 1 51 GLU N 2.700 2.200 3.000 2.865 2.703 2.932 . 0 0 "[ . 1 . 2]" 2
24 1 47 LYS O 1 51 GLU H 1.700 . 2.000 2.001 1.864 2.071 0.071 9 0 "[ . 1 . 2]" 2
25 1 48 ILE O 1 52 GLU N 2.700 2.200 3.000 2.757 2.649 2.990 . 0 0 "[ . 1 . 2]" 2
26 1 48 ILE O 1 52 GLU H 1.700 . 2.000 1.902 1.818 2.034 0.034 17 0 "[ . 1 . 2]" 2
27 1 55 TYR O 1 59 CYS N 2.700 2.200 3.000 2.873 2.665 2.979 . 0 0 "[ . 1 . 2]" 2
28 1 55 TYR O 1 59 CYS H 1.700 . 2.000 1.983 1.824 2.089 0.089 1 0 "[ . 1 . 2]" 2
29 1 56 GLU O 1 60 LYS N 2.700 2.200 3.000 2.788 2.591 3.013 0.013 18 0 "[ . 1 . 2]" 2
30 1 56 GLU O 1 60 LYS H 1.700 . 2.000 1.875 1.762 2.067 0.067 18 0 "[ . 1 . 2]" 2
31 1 57 ALA O 1 61 ASP N 2.700 2.200 3.000 2.901 2.752 3.012 0.012 12 0 "[ . 1 . 2]" 2
32 1 57 ALA O 1 61 ASP H 1.700 . 2.000 2.009 1.889 2.069 0.069 17 0 "[ . 1 . 2]" 2
33 1 64 TRP O 1 68 ALA N 2.700 2.200 3.000 2.843 2.744 2.953 . 0 0 "[ . 1 . 2]" 2
34 1 64 TRP O 1 68 ALA H 1.700 . 2.000 1.894 1.806 2.014 0.014 7 0 "[ . 1 . 2]" 2
35 1 65 ALA O 1 69 GLN N 2.700 2.200 3.000 2.983 2.887 3.040 0.040 12 0 "[ . 1 . 2]" 2
36 1 65 ALA O 1 69 GLN H 1.700 . 2.000 2.039 1.977 2.079 0.079 14 0 "[ . 1 . 2]" 2
37 1 66 ARG O 1 70 ARG N 2.700 2.200 3.000 2.786 2.662 2.961 . 0 0 "[ . 1 . 2]" 2
38 1 66 ARG O 1 70 ARG H 1.700 . 2.000 1.976 1.880 2.050 0.050 17 0 "[ . 1 . 2]" 2
39 1 67 VAL O 1 71 LEU N 2.700 2.200 3.000 2.905 2.723 3.017 0.017 18 0 "[ . 1 . 2]" 2
40 1 67 VAL O 1 71 LEU H 1.700 . 2.000 2.041 1.991 2.101 0.101 8 0 "[ . 1 . 2]" 2
41 1 80 GLY O 1 84 ARG N 2.700 2.200 3.000 2.916 2.848 3.016 0.016 8 0 "[ . 1 . 2]" 2
42 1 80 GLY O 1 84 ARG H 1.700 . 2.000 1.954 1.878 2.043 0.043 8 0 "[ . 1 . 2]" 2
43 1 81 SER O 1 85 SER N 2.700 2.200 3.000 2.847 2.693 3.004 0.004 15 0 "[ . 1 . 2]" 2
44 1 81 SER O 1 85 SER H 1.700 . 2.000 1.919 1.793 2.027 0.027 15 0 "[ . 1 . 2]" 2
45 1 82 LEU O 1 86 HIS N 2.700 2.200 3.000 3.024 2.947 3.071 0.071 7 0 "[ . 1 . 2]" 2
46 1 82 LEU O 1 86 HIS H 1.700 . 2.000 2.079 1.990 2.152 0.152 14 0 "[ . 1 . 2]" 2
47 1 83 LEU O 1 87 TYR N 2.700 2.200 3.000 2.830 2.729 2.973 . 0 0 "[ . 1 . 2]" 2
48 1 83 LEU O 1 87 TYR H 1.700 . 2.000 1.948 1.839 2.111 0.111 14 0 "[ . 1 . 2]" 2
49 1 93 PRO O 1 97 TYR N 2.700 2.200 3.000 2.898 2.821 3.003 0.003 9 0 "[ . 1 . 2]" 2
50 1 93 PRO O 1 97 TYR H 1.700 . 2.000 2.025 1.959 2.073 0.073 19 0 "[ . 1 . 2]" 2
51 1 94 TYR O 1 98 GLN N 2.700 2.200 3.000 2.749 2.659 2.891 . 0 0 "[ . 1 . 2]" 2
52 1 94 TYR O 1 98 GLN H 1.700 . 2.000 1.811 1.763 1.922 . 0 0 "[ . 1 . 2]" 2
53 1 95 GLU O 1 99 SER N 2.700 2.200 3.000 2.820 2.674 2.943 . 0 0 "[ . 1 . 2]" 2
54 1 95 GLU O 1 99 SER H 1.700 . 2.000 1.971 1.827 2.145 0.145 2 0 "[ . 1 . 2]" 2
55 1 96 MET O 1 100 GLY N 2.700 2.200 3.000 2.766 2.716 2.810 . 0 0 "[ . 1 . 2]" 2
56 1 96 MET O 1 100 GLY H 1.700 . 2.000 2.045 1.897 2.176 0.176 2 0 "[ . 1 . 2]" 2
57 1 97 TYR O 1 101 ALA N 2.700 2.200 3.000 2.860 2.718 3.004 0.004 9 0 "[ . 1 . 2]" 2
58 1 97 TYR O 1 101 ALA H 1.700 . 2.000 2.060 1.929 2.128 0.128 20 0 "[ . 1 . 2]" 2
59 1 98 GLN O 1 102 ASN N 2.700 2.200 3.000 2.902 2.755 3.023 0.023 2 0 "[ . 1 . 2]" 2
60 1 98 GLN O 1 102 ASN H 1.700 . 2.000 2.006 1.877 2.090 0.090 2 0 "[ . 1 . 2]" 2
61 1 99 SER O 1 103 LEU N 2.700 2.200 3.000 2.631 2.498 2.765 . 0 0 "[ . 1 . 2]" 2
62 1 99 SER O 1 103 LEU H 1.700 . 2.000 1.997 1.813 2.076 0.076 5 0 "[ . 1 . 2]" 2
63 1 109 PRO O 1 113 GLU N 2.700 2.200 3.000 2.845 2.737 3.021 0.021 8 0 "[ . 1 . 2]" 2
64 1 109 PRO O 1 113 GLU H 1.700 . 2.000 1.983 1.841 2.093 0.093 1 0 "[ . 1 . 2]" 2
65 1 110 PHE O 1 114 GLU N 2.700 2.200 3.000 2.937 2.775 3.076 0.076 14 0 "[ . 1 . 2]" 2
66 1 110 PHE O 1 114 GLU H 1.700 . 2.000 2.011 1.818 2.114 0.114 18 0 "[ . 1 . 2]" 2
67 1 111 ASP O 1 115 LYS N 2.700 2.200 3.000 2.821 2.641 3.042 0.042 3 0 "[ . 1 . 2]" 2
68 1 111 ASP O 1 115 LYS H 1.700 . 2.000 1.962 1.860 2.069 0.069 2 0 "[ . 1 . 2]" 2
69 1 35 VAL N 1 38 ARG O 2.700 2.200 3.000 2.864 2.727 2.989 . 0 0 "[ . 1 . 2]" 2
70 1 35 VAL H 1 38 ARG O 1.700 . 2.000 1.931 1.817 2.024 0.024 12 0 "[ . 1 . 2]" 2
71 1 35 VAL O 1 38 ARG N 2.700 2.200 3.000 2.897 2.754 2.997 . 0 0 "[ . 1 . 2]" 2
72 1 35 VAL O 1 38 ARG H 1.700 . 2.000 1.971 1.852 2.040 0.040 4 0 "[ . 1 . 2]" 2
73 1 33 PRO O 1 40 LEU N 2.700 2.200 3.000 2.972 2.870 3.037 0.037 4 0 "[ . 1 . 2]" 2
74 1 33 PRO O 1 40 LEU H 1.700 . 2.000 2.039 1.965 2.094 0.094 1 0 "[ . 1 . 2]" 2
75 1 2 MET O 1 6 GLU N 2.700 2.200 3.000 2.885 2.665 3.035 0.035 14 0 "[ . 1 . 2]" 2
76 1 2 MET O 1 6 GLU H 1.700 . 2.000 1.977 1.792 2.078 0.078 19 0 "[ . 1 . 2]" 2
77 1 3 ASN O 1 7 ALA N 2.700 2.200 3.000 2.655 2.474 2.820 . 0 0 "[ . 1 . 2]" 2
78 1 3 ASN O 1 7 ALA H 1.700 . 2.000 2.071 1.984 2.137 0.137 15 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 8:43:56 PM GMT (wattos1)