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 |
|
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305342 |
1ocd   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ocd
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 1354
_Distance_constraint_stats_list.Viol_count 145
_Distance_constraint_stats_list.Viol_total 14.606
_Distance_constraint_stats_list.Viol_max 0.755
_Distance_constraint_stats_list.Viol_rms 0.0462
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.1007
_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 GLY 0.123 0.123 1 0 "[ ]"
1 2 ASP 0.183 0.183 1 0 "[ ]"
1 3 VAL 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.032 0.032 1 0 "[ ]"
1 5 LYS 0.259 0.183 1 0 "[ ]"
1 6 GLY 0.803 0.405 1 0 "[ ]"
1 7 LYS 0.020 0.020 1 0 "[ ]"
1 8 LYS 0.162 0.085 1 0 "[ ]"
1 9 ILE 0.587 0.158 1 0 "[ ]"
1 10 PHE 0.873 0.196 1 0 "[ ]"
1 11 VAL 0.094 0.074 1 0 "[ ]"
1 12 GLN 0.062 0.037 1 0 "[ ]"
1 13 LYS 0.206 0.143 1 0 "[ ]"
1 14 CYS 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.114 0.114 1 0 "[ ]"
1 16 GLN 0.000 0.000 . 0 "[ ]"
1 17 CYS 0.184 0.095 1 0 "[ ]"
1 18 HIS 0.214 0.095 1 0 "[ ]"
1 19 THR 0.349 0.124 1 0 "[ ]"
1 20 VAL 0.106 0.059 1 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 GLY 0.040 0.027 1 0 "[ ]"
1 25 LYS 0.000 0.000 . 0 "[ ]"
1 26 HIS 0.143 0.075 1 0 "[ ]"
1 27 LYS 0.021 0.021 1 0 "[ ]"
1 28 THR 0.000 0.000 . 0 "[ ]"
1 30 PRO 0.000 0.000 . 0 "[ ]"
1 31 ASN 0.318 0.095 1 0 "[ ]"
1 32 LEU 0.584 0.242 1 0 "[ ]"
1 33 HIS 0.096 0.096 1 0 "[ ]"
1 34 GLY 0.096 0.096 1 0 "[ ]"
1 35 LEU 1.030 0.242 1 0 "[ ]"
1 36 PHE 0.510 0.137 1 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.241 0.131 1 0 "[ ]"
1 39 LYS 0.000 0.000 . 0 "[ ]"
1 40 THR 0.839 0.381 1 0 "[ ]"
1 41 GLY 0.359 0.260 1 0 "[ ]"
1 42 GLN 0.143 0.143 1 0 "[ ]"
1 43 ALA 0.177 0.102 1 0 "[ ]"
1 44 PRO 0.102 0.102 1 0 "[ ]"
1 45 GLY 0.000 0.000 . 0 "[ ]"
1 46 PHE 0.068 0.035 1 0 "[ ]"
1 47 THR 0.000 0.000 . 0 "[ ]"
1 48 TYR 0.755 0.755 1 1 [+]
1 49 THR 0.146 0.062 1 0 "[ ]"
1 50 ASP 0.023 0.023 1 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 52 ASN 1.250 0.755 1 1 [+]
1 53 LYS 0.003 0.003 1 0 "[ ]"
1 54 ASN 0.000 0.000 . 0 "[ ]"
1 55 LYS 0.118 0.115 1 0 "[ ]"
1 56 GLY 0.496 0.260 1 0 "[ ]"
1 57 ILE 1.227 0.381 1 0 "[ ]"
1 58 THR 0.594 0.131 1 0 "[ ]"
1 59 TRP 1.099 0.155 1 0 "[ ]"
1 60 LYS 0.240 0.082 1 0 "[ ]"
1 61 GLU 0.367 0.218 1 0 "[ ]"
1 62 GLU 0.028 0.028 1 0 "[ ]"
1 63 THR 0.377 0.210 1 0 "[ ]"
1 64 LEU 1.116 0.218 1 0 "[ ]"
1 65 MET 0.112 0.112 1 0 "[ ]"
1 66 GLU 0.242 0.139 1 0 "[ ]"
1 67 TYR 0.556 0.146 1 0 "[ ]"
1 68 LEU 0.337 0.149 1 0 "[ ]"
1 69 GLU 0.000 0.000 . 0 "[ ]"
1 70 ASN 0.037 0.037 1 0 "[ ]"
1 71 PRO 0.037 0.037 1 0 "[ ]"
1 72 LYS 0.137 0.095 1 0 "[ ]"
1 73 LYS 0.106 0.056 1 0 "[ ]"
1 74 TYR 0.086 0.054 1 0 "[ ]"
1 75 ILE 0.122 0.122 1 0 "[ ]"
1 76 PRO 0.538 0.228 1 0 "[ ]"
1 77 GLY 0.228 0.228 1 0 "[ ]"
1 78 THR 0.769 0.201 1 0 "[ ]"
1 79 LYS 0.077 0.077 1 0 "[ ]"
1 80 MET 0.000 0.000 . 0 "[ ]"
1 81 ILE 0.015 0.015 1 0 "[ ]"
1 82 PHE 0.086 0.086 1 0 "[ ]"
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 85 ILE 0.905 0.437 1 0 "[ ]"
1 86 LYS 0.000 0.000 . 0 "[ ]"
1 87 LYS 0.000 0.000 . 0 "[ ]"
1 88 LYS 0.073 0.073 1 0 "[ ]"
1 89 THR 0.000 0.000 . 0 "[ ]"
1 90 GLU 0.000 0.000 . 0 "[ ]"
1 91 ARG 0.222 0.149 1 0 "[ ]"
1 92 GLU 0.000 0.000 . 0 "[ ]"
1 93 ASP 0.057 0.057 1 0 "[ ]"
1 94 LEU 2.257 0.625 1 1 [+]
1 95 ILE 1.021 0.625 1 1 [+]
1 96 ALA 0.284 0.126 1 0 "[ ]"
1 97 TYR 0.325 0.193 1 0 "[ ]"
1 98 LEU 0.543 0.193 1 0 "[ ]"
1 99 LYS 0.119 0.095 1 0 "[ ]"
1 100 LYS 0.180 0.126 1 0 "[ ]"
1 101 ALA 0.147 0.128 1 0 "[ ]"
1 102 THR 0.175 0.128 1 0 "[ ]"
1 103 ASN 0.120 0.065 1 0 "[ ]"
1 104 GLU 0.067 0.065 1 0 "[ ]"
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 80 MET ME 1 82 PHE QD 3.900 . 10.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
2 1 80 MET QB 1 80 MET ME 3.900 . 7.200 2.036 2.036 2.036 . 0 0 "[ ]" 1
3 1 80 MET H 1 80 MET ME 3.900 . 6.500 4.151 4.151 4.151 . 0 0 "[ ]" 1
4 1 18 HIS HD2 1 30 PRO QD 3.200 . 5.200 4.260 4.260 4.260 . 0 0 "[ ]" 1
5 1 18 HIS HB2 1 19 THR H 3.200 . 4.500 4.531 4.531 4.531 0.031 1 0 "[ ]" 1
6 1 18 HIS H 1 18 HIS HB2 3.200 . 4.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
7 1 27 LYS H 1 31 ASN H 3.200 . 4.500 4.521 4.521 4.521 0.021 1 0 "[ ]" 1
8 1 19 THR HG1 1 31 ASN H 3.200 . 4.500 4.258 4.258 4.258 . 0 0 "[ ]" 1
9 1 31 ASN H 1 32 LEU H 3.200 . 4.500 4.544 4.544 4.544 0.044 1 0 "[ ]" 1
10 1 26 HIS QB 1 31 ASN H 3.200 . 5.200 4.436 4.436 4.436 . 0 0 "[ ]" 1
11 1 19 THR H 1 19 THR MG 3.680 . 6.060 2.844 2.844 2.844 . 0 0 "[ ]" 1
12 1 19 THR H 1 31 ASN HB3 3.200 . 4.500 3.131 3.131 3.131 . 0 0 "[ ]" 1
13 1 60 LYS HB3 1 61 GLU H 2.860 . 3.820 1.962 1.962 1.962 . 0 0 "[ ]" 1
14 1 30 PRO QB 1 31 ASN H 3.040 . 4.880 3.222 3.222 3.222 . 0 0 "[ ]" 1
15 1 61 GLU H 1 64 LEU MD1 3.900 . 6.500 4.945 4.945 4.945 . 0 0 "[ ]" 1
16 1 16 GLN H 1 17 CYS H 3.090 . 4.280 2.487 2.487 2.487 . 0 0 "[ ]" 1
17 1 41 GLY H 1 59 TRP HE1 3.200 . 4.500 4.598 4.598 4.598 0.098 1 0 "[ ]" 1
18 1 49 THR H 1 52 ASN H 3.200 . 4.500 3.458 3.458 3.458 . 0 0 "[ ]" 1
19 1 49 THR H 1 53 LYS H 3.200 . 4.500 3.505 3.505 3.505 . 0 0 "[ ]" 1
20 1 78 THR HG1 1 79 LYS H 3.200 . 4.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
21 1 62 GLU H 1 64 LEU H 3.200 . 4.500 4.528 4.528 4.528 0.028 1 0 "[ ]" 1
22 1 2 ASP H 1 3 VAL H 3.200 . 4.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
23 1 10 PHE H 1 11 VAL H 2.860 . 3.810 2.625 2.625 2.625 . 0 0 "[ ]" 1
24 1 36 PHE QD 1 37 GLY H 3.200 . 8.500 4.972 4.972 4.972 . 0 0 "[ ]" 1
25 1 40 THR H 1 41 GLY H 3.200 . 4.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
26 1 41 GLY H 1 42 GLN H 3.200 . 4.500 4.099 4.099 4.099 . 0 0 "[ ]" 1
27 1 97 TYR HD1 1 98 LEU H 5.320 . 8.740 4.402 4.402 4.402 . 0 0 "[ ]" 1
28 1 53 LYS H 1 55 LYS H 3.200 . 4.500 4.025 4.025 4.025 . 0 0 "[ ]" 1
29 1 74 TYR H 1 74 TYR QD 3.200 . 8.500 2.652 2.652 2.652 . 0 0 "[ ]" 1
30 1 60 LYS H 1 63 THR H 3.200 . 4.500 3.661 3.661 3.661 . 0 0 "[ ]" 1
31 1 45 GLY H 1 46 PHE H 3.200 . 4.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
32 1 36 PHE QE 1 61 GLU H 3.200 . 8.500 5.703 5.703 5.703 . 0 0 "[ ]" 1
33 1 36 PHE QD 1 61 GLU H 3.200 . 8.500 4.850 4.850 4.850 . 0 0 "[ ]" 1
34 1 26 HIS H 1 26 HIS HD1 3.200 . 4.500 4.197 4.197 4.197 . 0 0 "[ ]" 1
35 1 10 PHE HD2 1 11 VAL H 5.320 . 8.740 3.214 3.214 3.214 . 0 0 "[ ]" 1
36 1 10 PHE HZ 1 15 ALA HA 3.130 . 4.350 4.464 4.464 4.464 0.114 1 0 "[ ]" 1
37 1 97 TYR HD2 1 98 LEU H 5.320 . 8.740 1.943 1.943 1.943 . 0 0 "[ ]" 1
38 1 36 PHE QE 1 98 LEU H 3.200 . 8.500 4.390 4.390 4.390 . 0 0 "[ ]" 1
39 1 36 PHE HZ 1 98 LEU H 3.200 . 4.500 3.878 3.878 3.878 . 0 0 "[ ]" 1
40 1 36 PHE H 1 36 PHE QE 3.200 . 8.500 3.743 3.743 3.743 . 0 0 "[ ]" 1
41 1 10 PHE H 1 97 TYR HD2 5.320 . 8.740 4.654 4.654 4.654 . 0 0 "[ ]" 1
42 1 68 LEU H 1 69 GLU H 2.900 . 3.910 3.282 3.282 3.282 . 0 0 "[ ]" 1
43 1 67 TYR H 1 67 TYR HD1 5.160 . 8.420 4.840 4.840 4.840 . 0 0 "[ ]" 1
44 1 66 GLU H 1 67 TYR H 2.750 . 3.600 2.676 2.676 2.676 . 0 0 "[ ]" 1
45 1 82 PHE QE 1 85 ILE H 2.870 . 7.840 1.951 1.951 1.951 . 0 0 "[ ]" 1
46 1 52 ASN H 1 78 THR HA 3.200 . 4.500 4.570 4.570 4.570 0.070 1 0 "[ ]" 1
47 1 37 GLY H 1 37 GLY HA2 2.690 . 3.490 2.937 2.937 2.937 . 0 0 "[ ]" 1
48 1 37 GLY H 1 38 ARG HA 3.200 . 4.500 4.127 4.127 4.127 . 0 0 "[ ]" 1
49 1 2 ASP H 1 2 ASP HA 2.850 . 3.800 2.916 2.916 2.916 . 0 0 "[ ]" 1
50 1 19 THR HG1 1 24 GLY HA2 3.200 . 4.500 1.968 1.968 1.968 . 0 0 "[ ]" 1
51 1 49 THR HB 1 50 ASP H 2.690 . 3.480 3.503 3.503 3.503 0.023 1 0 "[ ]" 1
52 1 51 ALA HA 1 52 ASN H 3.010 . 4.120 3.594 3.594 3.594 . 0 0 "[ ]" 1
53 1 12 GLN HA 1 13 LYS H 2.900 . 3.900 3.548 3.548 3.548 . 0 0 "[ ]" 1
54 1 24 GLY H 1 24 GLY HA2 2.670 . 3.450 2.432 2.432 2.432 . 0 0 "[ ]" 1
55 1 16 GLN QG 1 17 CYS H 3.200 . 5.200 4.111 4.111 4.111 . 0 0 "[ ]" 1
56 1 24 GLY HA3 1 32 LEU H 3.200 . 4.500 4.527 4.527 4.527 0.027 1 0 "[ ]" 1
57 1 49 THR H 1 52 ASN HB2 3.200 . 4.500 4.562 4.562 4.562 0.062 1 0 "[ ]" 1
58 1 78 THR HG1 1 78 THR MG 3.900 . 6.500 2.775 2.775 2.775 . 0 0 "[ ]" 1
59 1 61 GLU HA 1 62 GLU H 3.070 . 4.230 3.553 3.553 3.553 . 0 0 "[ ]" 1
60 1 77 GLY H 1 78 THR MG 3.900 . 6.500 3.762 3.762 3.762 . 0 0 "[ ]" 1
61 1 36 PHE HB3 1 37 GLY H 3.200 . 4.500 4.450 4.450 4.450 . 0 0 "[ ]" 1
62 1 97 TYR HB3 1 98 LEU H 2.880 . 3.860 2.539 2.539 2.539 . 0 0 "[ ]" 1
63 1 36 PHE H 1 59 TRP HB3 3.200 . 4.500 2.640 2.640 2.640 . 0 0 "[ ]" 1
64 1 53 LYS H 1 53 LYS HA 2.620 . 3.330 2.766 2.766 2.766 . 0 0 "[ ]" 1
65 1 86 LYS H 1 86 LYS HA 2.850 . 3.800 2.938 2.938 2.938 . 0 0 "[ ]" 1
66 1 1 GLY H1 1 1 GLY HA3 2.700 . 3.510 2.533 2.533 2.533 . 0 0 "[ ]" 1
67 1 89 THR H 1 89 THR HA 2.480 . 3.060 2.759 2.759 2.759 . 0 0 "[ ]" 1
68 1 67 TYR H 1 67 TYR HB2 2.470 . 3.040 2.259 2.259 2.259 . 0 0 "[ ]" 1
69 1 6 GLY HA3 1 7 LYS H 3.000 . 4.100 3.204 3.204 3.204 . 0 0 "[ ]" 1
70 1 6 GLY HA2 1 7 LYS H 2.820 . 3.740 3.388 3.388 3.388 . 0 0 "[ ]" 1
71 1 48 TYR H 1 48 TYR QB 2.810 . 3.180 2.570 2.570 2.570 . 0 0 "[ ]" 1
72 1 20 VAL HB 1 32 LEU H 2.670 . 3.440 3.499 3.499 3.499 0.059 1 0 "[ ]" 1
73 1 32 LEU H 1 32 LEU HB3 2.690 . 3.480 3.541 3.541 3.541 0.061 1 0 "[ ]" 1
74 1 31 ASN HB3 1 32 LEU H 3.200 . 4.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
75 1 19 THR MG 1 23 GLY H 3.900 . 6.500 3.984 3.984 3.984 . 0 0 "[ ]" 1
76 1 72 LYS QG 1 78 THR H 3.200 . 5.200 3.070 3.070 3.070 . 0 0 "[ ]" 1
77 1 76 PRO HB3 1 78 THR H 3.200 . 4.900 5.101 5.101 5.101 0.201 1 0 "[ ]" 1
78 1 19 THR HG1 1 19 THR MG 3.900 . 6.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
79 1 44 PRO QB 1 45 GLY H 3.200 . 5.200 3.269 3.269 3.269 . 0 0 "[ ]" 1
80 1 50 ASP H 1 50 ASP QB 2.730 . 4.260 2.198 2.198 2.198 . 0 0 "[ ]" 1
81 1 99 LYS H 1 99 LYS HA 2.800 . 3.700 2.719 2.719 2.719 . 0 0 "[ ]" 1
82 1 59 TRP H 1 59 TRP HB2 2.740 . 3.580 2.771 2.771 2.771 . 0 0 "[ ]" 1
83 1 6 GLY H 1 93 ASP QB 2.880 . 4.560 2.321 2.321 2.321 . 0 0 "[ ]" 1
84 1 35 LEU HB2 1 36 PHE H 3.070 . 4.230 3.640 3.640 3.640 . 0 0 "[ ]" 1
85 1 2 ASP QB 1 3 VAL H 2.910 . 4.620 2.651 2.651 2.651 . 0 0 "[ ]" 1
86 1 12 GLN HB3 1 13 LYS H 2.860 . 3.810 3.836 3.836 3.836 0.026 1 0 "[ ]" 1
87 1 12 GLN QG 1 13 LYS H 3.200 . 5.200 1.984 1.984 1.984 . 0 0 "[ ]" 1
88 1 54 ASN H 1 54 ASN QB 2.700 . 4.200 2.473 2.473 2.473 . 0 0 "[ ]" 1
89 1 48 TYR QB 1 51 ALA H 3.200 . 4.500 3.689 3.689 3.689 . 0 0 "[ ]" 1
90 1 2 ASP QB 1 5 LYS H 3.200 . 5.200 2.491 2.491 2.491 . 0 0 "[ ]" 1
91 1 7 LYS H 1 97 TYR HB2 3.200 . 4.500 2.841 2.841 2.841 . 0 0 "[ ]" 1
92 1 60 LYS H 1 60 LYS HB2 3.200 . 4.500 2.625 2.625 2.625 . 0 0 "[ ]" 1
93 1 75 ILE MG 1 78 THR HG1 3.900 . 6.500 4.503 4.503 4.503 . 0 0 "[ ]" 1
94 1 75 ILE MG 1 78 THR H 3.760 . 6.220 2.602 2.602 2.602 . 0 0 "[ ]" 1
95 1 49 THR MG 1 78 THR H 4.160 . 7.020 3.494 3.494 3.494 . 0 0 "[ ]" 1
96 1 81 ILE MG 1 82 PHE H 3.740 . 6.170 2.404 2.404 2.404 . 0 0 "[ ]" 1
97 1 88 LYS H 1 89 THR MG 3.900 . 6.500 4.688 4.688 4.688 . 0 0 "[ ]" 1
98 1 98 LEU HB2 1 99 LYS H 3.010 . 4.120 3.370 3.370 3.370 . 0 0 "[ ]" 1
99 1 81 ILE H 1 81 ILE MG 3.900 . 6.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
100 1 52 ASN H 1 53 LYS HB2 3.450 . 5.000 4.110 4.110 4.110 . 0 0 "[ ]" 1
101 1 52 ASN H 1 75 ILE MG 4.160 . 7.020 3.762 3.762 3.762 . 0 0 "[ ]" 1
102 1 61 GLU HB2 1 64 LEU H 3.200 . 4.900 5.118 5.118 5.118 0.218 1 0 "[ ]" 1
103 1 94 LEU HB2 1 95 ILE H 2.720 . 3.540 3.178 3.178 3.178 . 0 0 "[ ]" 1
104 1 10 PHE HE1 1 20 VAL MG2 6.020 . 10.740 5.719 5.719 5.719 . 0 0 "[ ]" 1
105 1 10 PHE HE1 1 11 VAL MG2 6.020 . 10.740 6.501 6.501 6.501 . 0 0 "[ ]" 1
106 1 86 LYS QG 1 87 LYS H 2.810 . 4.420 3.859 3.859 3.859 . 0 0 "[ ]" 1
107 1 11 VAL MG1 1 15 ALA H 3.900 . 6.500 4.942 4.942 4.942 . 0 0 "[ ]" 1
108 1 89 THR H 1 89 THR MG 3.320 . 5.330 2.285 2.285 2.285 . 0 0 "[ ]" 1
109 1 7 LYS H 1 9 ILE QG 3.150 . 5.100 4.214 4.214 4.214 . 0 0 "[ ]" 1
110 1 35 LEU MD2 1 59 TRP HE1 3.870 . 6.440 4.156 4.156 4.156 . 0 0 "[ ]" 1
111 1 40 THR MG 1 59 TRP HE1 3.670 . 6.040 3.202 3.202 3.202 . 0 0 "[ ]" 1
112 1 37 GLY H 1 58 THR MG 3.890 . 6.480 2.665 2.665 2.665 . 0 0 "[ ]" 1
113 1 40 THR MG 1 41 GLY H 3.900 . 6.500 3.254 3.254 3.254 . 0 0 "[ ]" 1
114 1 81 ILE MD 1 82 PHE H 4.160 . 7.020 3.932 3.932 3.932 . 0 0 "[ ]" 1
115 1 98 LEU MD1 1 99 LYS H 3.900 . 6.500 3.796 3.796 3.796 . 0 0 "[ ]" 1
116 1 35 LEU MD1 1 99 LYS H 3.900 . 6.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
117 1 95 ILE MG 1 99 LYS H 3.900 . 6.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
118 1 94 LEU MD2 1 98 LEU H 4.160 . 7.020 3.638 3.638 3.638 . 0 0 "[ ]" 1
119 1 98 LEU H 1 98 LEU MD1 3.620 . 5.940 4.043 4.043 4.043 . 0 0 "[ ]" 1
120 1 95 ILE MG 1 98 LEU H 3.900 . 6.500 4.947 4.947 4.947 . 0 0 "[ ]" 1
121 1 58 THR MG 1 59 TRP H 3.680 . 6.060 1.815 1.815 1.815 0.085 1 0 "[ ]" 1
122 1 35 LEU MD1 1 36 PHE H 3.900 . 6.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
123 1 9 ILE MG 1 13 LYS H 3.900 . 6.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
124 1 94 LEU HG 1 95 ILE H 3.200 . 4.200 4.825 4.825 4.825 0.625 1 1 [+] 1
125 1 9 ILE QG 1 10 PHE H 3.200 . 5.200 3.748 3.748 3.748 . 0 0 "[ ]" 1
126 1 9 ILE MD 1 10 PHE H 3.900 . 6.500 4.686 4.686 4.686 . 0 0 "[ ]" 1
127 1 10 PHE HE1 1 98 LEU MD1 6.020 . 10.740 4.646 4.646 4.646 . 0 0 "[ ]" 1
128 1 57 ILE MG 1 58 THR H 3.550 . 5.790 3.527 3.527 3.527 . 0 0 "[ ]" 1
129 1 58 THR H 1 58 THR MG 3.900 . 6.500 3.997 3.997 3.997 . 0 0 "[ ]" 1
130 1 85 ILE MG 1 87 LYS H 3.630 . 5.950 3.551 3.551 3.551 . 0 0 "[ ]" 1
131 1 38 ARG H 1 58 THR MG 3.900 . 6.500 1.790 1.790 1.790 0.110 1 0 "[ ]" 1
132 1 47 THR MG 1 48 TYR H 3.870 . 6.440 3.250 3.250 3.250 . 0 0 "[ ]" 1
133 1 85 ILE H 1 85 ILE QG 3.150 . 5.100 1.993 1.993 1.993 . 0 0 "[ ]" 1
134 1 85 ILE H 1 85 ILE MG 3.900 . 6.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
135 1 57 ILE MD 1 59 TRP HE1 3.900 . 6.500 3.987 3.987 3.987 . 0 0 "[ ]" 1
136 1 98 LEU MD2 1 99 LYS H 3.900 . 6.500 4.690 4.690 4.690 . 0 0 "[ ]" 1
137 1 98 LEU H 1 98 LEU MD2 3.840 . 6.370 3.356 3.356 3.356 . 0 0 "[ ]" 1
138 1 57 ILE MD 1 59 TRP H 3.900 . 6.500 6.054 6.054 6.054 . 0 0 "[ ]" 1
139 1 64 LEU H 1 64 LEU MD2 3.900 . 6.500 3.600 3.600 3.600 . 0 0 "[ ]" 1
140 1 64 LEU H 1 64 LEU MD1 3.780 . 6.260 3.702 3.702 3.702 . 0 0 "[ ]" 1
141 1 85 ILE MD 1 86 LYS H 3.900 . 6.500 5.368 5.368 5.368 . 0 0 "[ ]" 1
142 1 68 LEU MD1 1 86 LYS H 4.160 . 7.020 5.530 5.530 5.530 . 0 0 "[ ]" 1
143 1 57 ILE MD 1 58 THR H 3.820 . 6.340 3.498 3.498 3.498 . 0 0 "[ ]" 1
144 1 64 LEU MD2 1 65 MET H 3.900 . 6.500 4.460 4.460 4.460 . 0 0 "[ ]" 1
145 1 64 LEU MD1 1 65 MET H 3.900 . 6.500 4.151 4.151 4.151 . 0 0 "[ ]" 1
146 1 68 LEU H 1 68 LEU MD1 3.640 . 5.980 4.215 4.215 4.215 . 0 0 "[ ]" 1
147 1 68 LEU H 1 68 LEU QB 2.850 . 4.440 2.106 2.106 2.106 . 0 0 "[ ]" 1
148 1 85 ILE H 1 85 ILE MD 3.890 . 6.480 2.985 2.985 2.985 . 0 0 "[ ]" 1
149 1 60 LYS H 1 64 LEU MD2 3.900 . 6.500 4.852 4.852 4.852 . 0 0 "[ ]" 1
150 1 68 LEU H 1 68 LEU MD2 3.820 . 6.330 4.004 4.004 4.004 . 0 0 "[ ]" 1
151 1 10 PHE HD1 1 94 LEU H 5.320 . 8.740 7.014 7.014 7.014 . 0 0 "[ ]" 1
152 1 10 PHE HE2 1 15 ALA HA 5.150 . 8.400 3.549 3.549 3.549 . 0 0 "[ ]" 1
153 1 10 PHE HD1 1 15 ALA HA 5.320 . 8.740 6.010 6.010 6.010 . 0 0 "[ ]" 1
154 1 70 ASN H 1 73 LYS QZ 3.200 . 4.500 3.379 3.379 3.379 . 0 0 "[ ]" 1
155 1 67 TYR HD2 1 74 TYR QE 3.010 . 8.120 3.664 3.664 3.664 . 0 0 "[ ]" 1
156 1 102 THR H 1 102 THR HB 2.580 . 3.260 2.104 2.104 2.104 . 0 0 "[ ]" 1
157 1 67 TYR HA 1 74 TYR QD 2.950 . 8.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
158 1 72 LYS HA 1 73 LYS H 3.020 . 4.140 3.535 3.535 3.535 . 0 0 "[ ]" 1
159 1 71 PRO HA 1 74 TYR QD 3.200 . 8.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
160 1 42 GLN H 1 42 GLN HA 2.970 . 4.040 2.822 2.822 2.822 . 0 0 "[ ]" 1
161 1 104 GLU H 1 104 GLU HA 2.860 . 3.810 2.721 2.721 2.721 . 0 0 "[ ]" 1
162 1 103 ASN HA 1 104 GLU H 3.170 . 4.440 3.229 3.229 3.229 . 0 0 "[ ]" 1
163 1 103 ASN H 1 104 GLU HA 3.200 . 4.500 4.565 4.565 4.565 0.065 1 0 "[ ]" 1
164 1 102 THR HA 1 103 ASN H 3.200 . 4.500 3.203 3.203 3.203 . 0 0 "[ ]" 1
165 1 40 THR HA 1 59 TRP HD1 3.050 . 4.200 2.452 2.452 2.452 . 0 0 "[ ]" 1
166 1 96 ALA HA 1 97 TYR H 2.740 . 3.580 3.592 3.592 3.592 0.012 1 0 "[ ]" 1
167 1 56 GLY H 1 56 GLY QA 2.580 . 3.760 2.524 2.524 2.524 . 0 0 "[ ]" 1
168 1 95 ILE HA 1 96 ALA H 2.930 . 3.960 3.593 3.593 3.593 . 0 0 "[ ]" 1
169 1 70 ASN QB 1 73 LYS H 3.020 . 4.840 2.588 2.588 2.588 . 0 0 "[ ]" 1
170 1 96 ALA H 1 96 ALA HA 2.580 . 3.260 2.729 2.729 2.729 . 0 0 "[ ]" 1
171 1 74 TYR QD 1 75 ILE HB 3.200 . 8.500 3.296 3.296 3.296 . 0 0 "[ ]" 1
172 1 8 LYS HA 1 9 ILE H 2.830 . 3.760 3.525 3.525 3.525 . 0 0 "[ ]" 1
173 1 9 ILE H 1 9 ILE HA 2.840 . 3.780 2.896 2.896 2.896 . 0 0 "[ ]" 1
174 1 59 TRP HE3 1 64 LEU HA 3.060 . 4.210 2.735 2.735 2.735 . 0 0 "[ ]" 1
175 1 36 PHE HB3 1 36 PHE QD 2.570 . 7.230 2.435 2.435 2.435 . 0 0 "[ ]" 1
176 1 36 PHE HA 1 36 PHE QD 2.840 . 7.780 3.168 3.168 3.168 . 0 0 "[ ]" 1
177 1 34 GLY QA 1 35 LEU H 2.980 . 4.760 2.906 2.906 2.906 . 0 0 "[ ]" 1
178 1 91 ARG H 1 91 ARG HA 2.590 . 3.280 2.765 2.765 2.765 . 0 0 "[ ]" 1
179 1 63 THR H 1 64 LEU HA 3.200 . 5.000 5.210 5.210 5.210 0.210 1 0 "[ ]" 1
180 1 62 GLU HA 1 63 THR H 3.020 . 4.140 3.548 3.548 3.548 . 0 0 "[ ]" 1
181 1 26 HIS HD1 1 46 PHE HA 3.050 . 4.200 4.232 4.232 4.232 0.032 1 0 "[ ]" 1
182 1 8 LYS H 1 8 LYS HA 2.590 . 3.280 2.950 2.950 2.950 . 0 0 "[ ]" 1
183 1 59 TRP HB3 1 59 TRP HD1 2.730 . 3.560 3.517 3.517 3.517 . 0 0 "[ ]" 1
184 1 69 GLU H 1 69 GLU HA 2.830 . 3.760 2.771 2.771 2.771 . 0 0 "[ ]" 1
185 1 67 TYR HB2 1 74 TYR QE 3.010 . 8.120 5.317 5.317 5.317 . 0 0 "[ ]" 1
186 1 69 GLU HA 1 70 ASN H 2.910 . 3.930 3.564 3.564 3.564 . 0 0 "[ ]" 1
187 1 70 ASN H 1 70 ASN QB 2.990 . 4.780 3.165 3.165 3.165 . 0 0 "[ ]" 1
188 1 64 LEU HA 1 66 GLU H 3.200 . 4.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
189 1 56 GLY QA 1 57 ILE H 2.960 . 4.720 2.936 2.936 2.936 . 0 0 "[ ]" 1
190 1 10 PHE HB3 1 97 TYR HD2 5.320 . 8.740 4.072 4.072 4.072 . 0 0 "[ ]" 1
191 1 64 LEU HA 1 67 TYR HD2 5.320 . 8.740 4.542 4.542 4.542 . 0 0 "[ ]" 1
192 1 72 LYS QG 1 73 LYS H 3.200 . 5.200 4.416 4.416 4.416 . 0 0 "[ ]" 1
193 1 72 LYS QB 1 73 LYS H 2.960 . 4.720 2.919 2.919 2.919 . 0 0 "[ ]" 1
194 1 67 TYR HB3 1 74 TYR QD 2.880 . 7.850 5.137 5.137 5.137 . 0 0 "[ ]" 1
195 1 10 PHE HE2 1 31 ASN HB3 5.220 . 8.530 7.017 7.017 7.017 . 0 0 "[ ]" 1
196 1 35 LEU HB2 1 36 PHE QD 2.770 . 7.640 3.440 3.440 3.440 . 0 0 "[ ]" 1
197 1 103 ASN H 1 103 ASN QB 2.710 . 4.220 2.250 2.250 2.250 . 0 0 "[ ]" 1
198 1 54 ASN QB 1 55 LYS H 2.700 . 4.200 3.885 3.885 3.885 . 0 0 "[ ]" 1
199 1 26 HIS QB 1 26 HIS HD1 2.890 . 4.580 2.569 2.569 2.569 . 0 0 "[ ]" 1
200 1 66 GLU HB2 1 74 TYR QE 3.200 . 8.500 7.787 7.787 7.787 . 0 0 "[ ]" 1
201 1 69 GLU QB 1 70 ASN H 2.980 . 4.760 2.328 2.328 2.328 . 0 0 "[ ]" 1
202 1 66 GLU H 1 66 GLU QG 2.830 . 4.460 2.619 2.619 2.619 . 0 0 "[ ]" 1
203 1 66 GLU H 1 66 GLU HB2 2.610 . 3.310 2.293 2.293 2.293 . 0 0 "[ ]" 1
204 1 36 PHE QE 1 99 LYS HA 2.690 . 7.490 2.311 2.311 2.311 . 0 0 "[ ]" 1
205 1 36 PHE QE 1 60 LYS HB2 3.200 . 8.500 6.109 6.109 6.109 . 0 0 "[ ]" 1
206 1 35 LEU HB2 1 36 PHE QE 2.720 . 7.540 3.401 3.401 3.401 . 0 0 "[ ]" 1
207 1 31 ASN HA 1 31 ASN HB2 2.790 . 3.680 2.472 2.472 2.472 . 0 0 "[ ]" 1
208 1 102 THR HG1 1 104 GLU QB 3.200 . 5.200 4.792 4.792 4.792 . 0 0 "[ ]" 1
209 1 36 PHE QD 1 60 LYS HB2 3.200 . 8.500 4.132 4.132 4.132 . 0 0 "[ ]" 1
210 1 95 ILE HB 1 96 ALA H 2.610 . 3.310 2.476 2.476 2.476 . 0 0 "[ ]" 1
211 1 11 VAL MG2 1 12 GLN H 3.900 . 6.500 3.915 3.915 3.915 . 0 0 "[ ]" 1
212 1 48 TYR HD1 1 53 LYS HB2 5.210 . 8.520 5.945 5.945 5.945 . 0 0 "[ ]" 1
213 1 41 GLY HA3 1 42 GLN H 2.940 . 3.990 3.545 3.545 3.545 . 0 0 "[ ]" 1
214 1 40 THR H 1 57 ILE QG 3.200 . 5.200 4.319 4.319 4.319 . 0 0 "[ ]" 1
215 1 43 ALA MB 1 48 TYR HE1 6.020 . 10.740 6.330 6.330 6.330 . 0 0 "[ ]" 1
216 1 73 LYS QD 1 73 LYS QZ 3.150 . 5.100 2.078 2.078 2.078 . 0 0 "[ ]" 1
217 1 9 ILE H 1 11 VAL MG2 3.900 . 6.500 5.134 5.134 5.134 . 0 0 "[ ]" 1
218 1 40 THR HG1 1 57 ILE QG 3.200 . 5.200 3.356 3.356 3.356 . 0 0 "[ ]" 1
219 1 36 PHE QD 1 98 LEU HB2 3.200 . 8.500 5.760 5.760 5.760 . 0 0 "[ ]" 1
220 1 59 TRP HA 1 60 LYS H 2.990 . 4.080 2.676 2.676 2.676 . 0 0 "[ ]" 1
221 1 26 HIS H 1 26 HIS QB 2.850 . 4.500 2.755 2.755 2.755 . 0 0 "[ ]" 1
222 1 67 TYR HB2 1 67 TYR HD2 3.200 . 4.500 2.282 2.282 2.282 . 0 0 "[ ]" 1
223 1 67 TYR HB3 1 67 TYR HD1 3.020 . 4.140 2.850 2.850 2.850 . 0 0 "[ ]" 1
224 1 11 VAL H 1 11 VAL HA 2.680 . 3.460 2.869 2.869 2.869 . 0 0 "[ ]" 1
225 1 10 PHE HB3 1 11 VAL H 3.450 . 5.000 2.219 2.219 2.219 . 0 0 "[ ]" 1
226 1 36 PHE HZ 1 98 LEU HB3 3.070 . 4.230 1.852 1.852 1.852 0.058 1 0 "[ ]" 1
227 1 91 ARG HA 1 91 ARG HB3 2.530 . 3.160 2.402 2.402 2.402 . 0 0 "[ ]" 1
228 1 17 CYS H 1 18 HIS H 2.400 . 2.900 1.811 1.811 1.811 0.089 1 0 "[ ]" 1
229 1 18 HIS HA 1 19 THR H 2.390 . 2.890 2.197 2.197 2.197 . 0 0 "[ ]" 1
230 1 61 GLU H 1 62 GLU H 3.090 . 4.270 3.194 3.194 3.194 . 0 0 "[ ]" 1
231 1 10 PHE HE2 1 31 ASN H 5.060 . 8.410 8.473 8.473 8.473 0.063 1 0 "[ ]" 1
232 1 15 ALA HA 1 18 HIS H 2.670 . 3.440 3.434 3.434 3.434 . 0 0 "[ ]" 1
233 1 60 LYS HA 1 61 GLU H 2.730 . 3.560 3.237 3.237 3.237 . 0 0 "[ ]" 1
234 1 31 ASN H 1 31 ASN HB3 2.730 . 3.560 2.671 2.671 2.671 . 0 0 "[ ]" 1
235 1 61 GLU H 1 61 GLU HA 2.780 . 3.660 2.926 2.926 2.926 . 0 0 "[ ]" 1
236 1 77 GLY H 1 78 THR H 2.600 . 3.290 2.553 2.553 2.553 . 0 0 "[ ]" 1
237 1 79 LYS H 1 80 MET H 2.620 . 3.340 2.426 2.426 2.426 . 0 0 "[ ]" 1
238 1 62 GLU H 1 63 THR H 3.090 . 4.270 3.107 3.107 3.107 . 0 0 "[ ]" 1
239 1 72 LYS H 1 73 LYS H 2.690 . 3.490 3.027 3.027 3.027 . 0 0 "[ ]" 1
240 1 41 GLY H 1 56 GLY H 3.140 . 4.380 4.640 4.640 4.640 0.260 1 0 "[ ]" 1
241 1 34 GLY H 1 35 LEU H 2.880 . 3.860 1.936 1.936 1.936 . 0 0 "[ ]" 1
242 1 11 VAL H 1 12 GLN H 2.730 . 3.560 2.698 2.698 2.698 . 0 0 "[ ]" 1
243 1 97 TYR H 1 98 LEU H 2.720 . 3.540 3.140 3.140 3.140 . 0 0 "[ ]" 1
244 1 36 PHE H 1 36 PHE QD 2.590 . 7.280 2.826 2.826 2.826 . 0 0 "[ ]" 1
245 1 101 ALA H 1 102 THR H 2.810 . 3.720 2.688 2.688 2.688 . 0 0 "[ ]" 1
246 1 63 THR H 1 64 LEU H 2.570 . 3.240 2.623 2.623 2.623 . 0 0 "[ ]" 1
247 1 9 ILE H 1 10 PHE H 2.590 . 3.280 2.486 2.486 2.486 . 0 0 "[ ]" 1
248 1 10 PHE HE1 1 97 TYR HD1 7.440 . 12.980 9.148 9.148 9.148 . 0 0 "[ ]" 1
249 1 91 ARG H 1 92 GLU H 2.960 . 4.020 3.072 3.072 3.072 . 0 0 "[ ]" 1
250 1 15 ALA HA 1 16 GLN H 3.200 . 4.500 3.552 3.552 3.552 . 0 0 "[ ]" 1
251 1 99 LYS H 1 100 LYS H 2.810 . 3.720 3.116 3.116 3.116 . 0 0 "[ ]" 1
252 1 59 TRP H 1 59 TRP HD1 3.200 . 4.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
253 1 10 PHE HE1 1 15 ALA HA 5.320 . 8.740 5.656 5.656 5.656 . 0 0 "[ ]" 1
254 1 65 MET H 1 66 GLU H 3.200 . 4.500 3.068 3.068 3.068 . 0 0 "[ ]" 1
255 1 7 LYS H 1 8 LYS H 2.660 . 3.420 2.398 2.398 2.398 . 0 0 "[ ]" 1
256 1 78 THR HA 1 78 THR HG1 2.480 . 3.060 3.119 3.119 3.119 0.059 1 0 "[ ]" 1
257 1 72 LYS H 1 72 LYS HA 2.590 . 3.280 2.732 2.732 2.732 . 0 0 "[ ]" 1
258 1 76 PRO HA 1 77 GLY H 2.410 . 3.120 3.348 3.348 3.348 0.228 1 0 "[ ]" 1
259 1 78 THR H 1 78 THR HA 2.730 . 3.560 2.909 2.909 2.909 . 0 0 "[ ]" 1
260 1 78 THR H 1 78 THR HB 2.530 . 3.160 2.795 2.795 2.795 . 0 0 "[ ]" 1
261 1 81 ILE HA 1 82 PHE H 2.360 . 2.810 2.214 2.214 2.214 . 0 0 "[ ]" 1
262 1 19 THR HB 1 20 VAL H 2.690 . 3.490 3.208 3.208 3.208 . 0 0 "[ ]" 1
263 1 48 TYR HA 1 49 THR H 2.500 . 3.100 2.367 2.367 2.367 . 0 0 "[ ]" 1
264 1 49 THR H 1 49 THR HA 2.880 . 3.860 2.930 2.930 2.930 . 0 0 "[ ]" 1
265 1 40 THR HA 1 59 TRP HE1 2.450 . 3.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
266 1 2 ASP H 1 93 ASP HA 2.460 . 3.020 2.975 2.975 2.975 . 0 0 "[ ]" 1
267 1 40 THR HB 1 41 GLY H 3.200 . 4.500 3.603 3.603 3.603 . 0 0 "[ ]" 1
268 1 33 HIS HA 1 34 GLY H 2.520 . 3.140 3.236 3.236 3.236 0.096 1 0 "[ ]" 1
269 1 2 ASP HA 1 3 VAL H 2.700 . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
270 1 101 ALA HA 1 102 THR H 3.200 . 4.500 3.567 3.567 3.567 . 0 0 "[ ]" 1
271 1 48 TYR QB 1 49 THR H 2.580 . 3.260 2.557 2.557 2.557 . 0 0 "[ ]" 1
272 1 62 GLU H 1 62 GLU HA 2.700 . 3.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
273 1 75 ILE H 1 75 ILE HB 2.680 . 3.460 2.906 2.906 2.906 . 0 0 "[ ]" 1
274 1 23 GLY H 1 23 GLY QA 2.600 . 3.990 2.535 2.535 2.535 . 0 0 "[ ]" 1
275 1 37 GLY H 1 37 GLY HA3 2.600 . 3.290 2.727 2.727 2.727 . 0 0 "[ ]" 1
276 1 36 PHE HA 1 37 GLY H 2.320 . 2.740 2.509 2.509 2.509 . 0 0 "[ ]" 1
277 1 1 GLY HA3 1 2 ASP H 2.490 . 3.080 2.197 2.197 2.197 . 0 0 "[ ]" 1
278 1 1 GLY HA2 1 2 ASP H 3.450 . 5.000 3.246 3.246 3.246 . 0 0 "[ ]" 1
279 1 78 THR H 1 78 THR MG 3.000 . 4.700 1.811 1.811 1.811 0.089 1 0 "[ ]" 1
280 1 19 THR HG1 1 24 GLY HA3 2.660 . 3.420 3.433 3.433 3.433 0.013 1 0 "[ ]" 1
281 1 24 GLY HA3 1 25 LYS H 2.850 . 3.790 3.488 3.488 3.488 . 0 0 "[ ]" 1
282 1 95 ILE HA 1 98 LEU H 3.200 . 4.500 3.937 3.937 3.937 . 0 0 "[ ]" 1
283 1 98 LEU H 1 98 LEU HA 2.820 . 3.740 2.783 2.783 2.783 . 0 0 "[ ]" 1
284 1 6 GLY H 1 6 GLY HA2 2.450 . 3.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
285 1 48 TYR QB 1 53 LYS H 3.200 . 4.500 1.927 1.927 1.927 . 0 0 "[ ]" 1
286 1 48 TYR QB 1 52 ASN H 2.550 . 2.550 3.305 3.305 3.305 0.755 1 1 [+] 1
287 1 52 ASN H 1 52 ASN HB2 2.560 . 3.320 2.926 2.926 2.926 . 0 0 "[ ]" 1
288 1 64 LEU H 1 64 LEU HA 2.960 . 4.020 2.930 2.930 2.930 . 0 0 "[ ]" 1
289 1 3 VAL H 1 3 VAL HA 2.780 . 3.660 2.986 2.986 2.986 . 0 0 "[ ]" 1
290 1 95 ILE H 1 95 ILE HA 2.820 . 3.740 2.832 2.832 2.832 . 0 0 "[ ]" 1
291 1 10 PHE H 1 10 PHE HB3 2.510 . 3.120 2.527 2.527 2.527 . 0 0 "[ ]" 1
292 1 10 PHE H 1 10 PHE HA 2.850 . 3.790 2.906 2.906 2.906 . 0 0 "[ ]" 1
293 1 65 MET H 1 65 MET HA 2.820 . 3.740 2.682 2.682 2.682 . 0 0 "[ ]" 1
294 1 1 GLY H1 1 1 GLY HA2 2.480 . 3.060 2.953 2.953 2.953 . 0 0 "[ ]" 1
295 1 16 GLN H 1 16 GLN QB 2.760 . 4.160 2.352 2.352 2.352 . 0 0 "[ ]" 1
296 1 16 GLN H 1 16 GLN QG 3.200 . 5.200 4.013 4.013 4.013 . 0 0 "[ ]" 1
297 1 2 ASP H 1 2 ASP QB 2.600 . 3.800 2.807 2.807 2.807 . 0 0 "[ ]" 1
298 1 18 HIS HA 1 19 THR MG 3.410 . 5.520 4.219 4.219 4.219 . 0 0 "[ ]" 1
299 1 19 THR HG1 1 31 ASN HB2 3.200 . 4.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
300 1 19 THR HG1 1 31 ASN HB3 2.780 . 3.660 1.894 1.894 1.894 0.006 1 0 "[ ]" 1
301 1 97 TYR HB2 1 98 LEU H 2.700 . 3.500 3.693 3.693 3.693 0.193 1 0 "[ ]" 1
302 1 81 ILE H 1 81 ILE HB 2.500 . 3.100 2.790 2.790 2.790 . 0 0 "[ ]" 1
303 1 12 GLN HB2 1 13 LYS H 2.870 . 3.830 3.867 3.867 3.867 0.037 1 0 "[ ]" 1
304 1 10 PHE H 1 10 PHE HB2 2.470 . 3.040 2.606 2.606 2.606 . 0 0 "[ ]" 1
305 1 19 THR MG 1 24 GLY H 3.260 . 5.220 3.325 3.325 3.325 . 0 0 "[ ]" 1
306 1 93 ASP H 1 93 ASP QB 2.700 . 4.200 2.676 2.676 2.676 . 0 0 "[ ]" 1
307 1 38 ARG H 1 38 ARG QB 3.200 . 5.200 3.112 3.112 3.112 . 0 0 "[ ]" 1
308 1 59 TRP HB2 1 60 LYS H 3.090 . 4.280 4.362 4.362 4.362 0.082 1 0 "[ ]" 1
309 1 49 THR H 1 49 THR MG 3.160 . 5.020 2.270 2.270 2.270 . 0 0 "[ ]" 1
310 1 41 GLY H 1 41 GLY HA3 2.580 . 3.260 2.361 2.361 2.361 . 0 0 "[ ]" 1
311 1 22 LYS H 1 22 LYS QB 2.600 . 3.990 2.139 2.139 2.139 . 0 0 "[ ]" 1
312 1 11 VAL H 1 11 VAL MG2 3.060 . 4.810 1.836 1.836 1.836 0.074 1 0 "[ ]" 1
313 1 99 LYS H 1 99 LYS QB 2.640 . 4.090 2.278 2.278 2.278 . 0 0 "[ ]" 1
314 1 98 LEU HB3 1 99 LYS H 2.790 . 3.680 2.458 2.458 2.458 . 0 0 "[ ]" 1
315 1 98 LEU H 1 98 LEU HB3 2.530 . 3.160 3.042 3.042 3.042 . 0 0 "[ ]" 1
316 1 53 LYS H 1 53 LYS HB2 2.670 . 3.440 2.133 2.133 2.133 . 0 0 "[ ]" 1
317 1 81 ILE H 1 81 ILE QG 3.200 . 5.200 3.799 3.799 3.799 . 0 0 "[ ]" 1
318 1 51 ALA MB 1 52 ASN H 3.060 . 4.810 2.321 2.321 2.321 . 0 0 "[ ]" 1
319 1 64 LEU H 1 64 LEU HG 2.500 . 3.100 2.515 2.515 2.515 . 0 0 "[ ]" 1
320 1 3 VAL H 1 3 VAL MG1 3.020 . 4.740 3.788 3.788 3.788 . 0 0 "[ ]" 1
321 1 86 LYS H 1 86 LYS QB 2.790 . 4.380 2.263 2.263 2.263 . 0 0 "[ ]" 1
322 1 95 ILE H 1 95 ILE QG 2.950 . 4.700 3.147 3.147 3.147 . 0 0 "[ ]" 1
323 1 57 ILE HB 1 58 THR H 2.950 . 4.000 1.801 1.801 1.801 0.099 1 0 "[ ]" 1
324 1 53 LYS HB2 1 54 ASN H 2.540 . 3.180 3.097 3.097 3.097 . 0 0 "[ ]" 1
325 1 7 LYS H 1 7 LYS QB 2.380 . 3.560 2.302 2.302 2.302 . 0 0 "[ ]" 1
326 1 102 THR H 1 102 THR MG 3.130 . 4.960 3.366 3.366 3.366 . 0 0 "[ ]" 1
327 1 101 ALA H 1 101 ALA MB 3.090 . 4.870 2.263 2.263 2.263 . 0 0 "[ ]" 1
328 1 102 THR H 1 103 ASN H 2.650 . 3.410 2.692 2.692 2.692 . 0 0 "[ ]" 1
329 1 56 GLY H 1 57 ILE H 3.200 . 4.500 1.779 1.779 1.779 0.121 1 0 "[ ]" 1
330 1 67 TYR HD2 1 74 TYR QD 3.090 . 8.280 3.152 3.152 3.152 . 0 0 "[ ]" 1
331 1 8 LYS H 1 9 ILE H 2.300 . 2.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
332 1 90 GLU H 1 91 ARG H 2.650 . 3.400 2.864 2.864 2.864 . 0 0 "[ ]" 1
333 1 97 TYR H 1 97 TYR HA 3.000 . 4.100 2.747 2.747 2.747 . 0 0 "[ ]" 1
334 1 73 LYS H 1 73 LYS HA 2.560 . 3.220 2.806 2.806 2.806 . 0 0 "[ ]" 1
335 1 12 GLN H 1 12 GLN HA 2.850 . 3.790 2.975 2.975 2.975 . 0 0 "[ ]" 1
336 1 74 TYR QB 1 74 TYR QD 2.610 . 8.010 2.156 2.156 2.156 . 0 0 "[ ]" 1
337 1 40 THR H 1 40 THR HA 2.890 . 3.890 2.976 2.976 2.976 . 0 0 "[ ]" 1
338 1 36 PHE QD 1 60 LYS HA 2.930 . 7.960 1.848 1.848 1.848 0.042 1 0 "[ ]" 1
339 1 97 TYR HA 1 97 TYR HD1 4.830 . 7.760 3.148 3.148 3.148 . 0 0 "[ ]" 1
340 1 97 TYR H 1 97 TYR HB3 2.630 . 3.350 2.176 2.176 2.176 . 0 0 "[ ]" 1
341 1 67 TYR HB2 1 74 TYR QD 3.130 . 8.350 4.036 4.036 4.036 . 0 0 "[ ]" 1
342 1 73 LYS QE 1 73 LYS QZ 2.580 . 3.960 1.867 1.867 1.867 0.033 1 0 "[ ]" 1
343 1 36 PHE HZ 1 95 ILE HA 3.190 . 4.480 2.015 2.015 2.015 . 0 0 "[ ]" 1
344 1 82 PHE QB 1 82 PHE QD 2.580 . 7.960 2.159 2.159 2.159 . 0 0 "[ ]" 1
345 1 97 TYR H 1 97 TYR HB2 2.440 . 2.980 3.020 3.020 3.020 0.040 1 0 "[ ]" 1
346 1 93 ASP QB 1 94 LEU H 2.490 . 3.780 2.398 2.398 2.398 . 0 0 "[ ]" 1
347 1 55 LYS QB 1 56 GLY H 2.960 . 4.720 1.785 1.785 1.785 0.115 1 0 "[ ]" 1
348 1 12 GLN H 1 12 GLN HB3 3.170 . 4.440 2.721 2.721 2.721 . 0 0 "[ ]" 1
349 1 12 GLN H 1 12 GLN QG 3.200 . 5.200 2.068 2.068 2.068 . 0 0 "[ ]" 1
350 1 10 PHE HE2 1 31 ASN HB2 4.940 . 7.980 6.396 6.396 6.396 . 0 0 "[ ]" 1
351 1 59 TRP HB2 1 59 TRP HE3 2.990 . 4.080 4.181 4.181 4.181 0.101 1 0 "[ ]" 1
352 1 36 PHE HB2 1 36 PHE QD 2.520 . 7.140 2.391 2.391 2.391 . 0 0 "[ ]" 1
353 1 55 LYS H 1 55 LYS QB 2.410 . 3.620 2.038 2.038 2.038 . 0 0 "[ ]" 1
354 1 19 THR HA 1 19 THR MG 3.170 . 5.040 2.157 2.157 2.157 . 0 0 "[ ]" 1
355 1 15 ALA HA 1 15 ALA MB 2.780 . 4.260 2.118 2.118 2.118 . 0 0 "[ ]" 1
356 1 96 ALA MB 1 97 TYR H 3.260 . 5.220 2.336 2.336 2.336 . 0 0 "[ ]" 1
357 1 94 LEU H 1 94 LEU HB3 2.480 . 3.060 3.111 3.111 3.111 0.051 1 0 "[ ]" 1
358 1 94 LEU H 1 94 LEU HB2 2.520 . 3.140 2.089 2.089 2.089 . 0 0 "[ ]" 1
359 1 96 ALA H 1 96 ALA MB 2.940 . 4.590 2.182 2.182 2.182 . 0 0 "[ ]" 1
360 1 8 LYS HB3 1 9 ILE H 2.880 . 3.860 2.955 2.955 2.955 . 0 0 "[ ]" 1
361 1 9 ILE H 1 9 ILE HB 2.290 . 2.680 2.664 2.664 2.664 . 0 0 "[ ]" 1
362 1 59 TRP HE3 1 64 LEU HG 2.500 . 3.100 2.145 2.145 2.145 . 0 0 "[ ]" 1
363 1 91 ARG H 1 91 ARG HB2 2.690 . 3.480 2.806 2.806 2.806 . 0 0 "[ ]" 1
364 1 63 THR H 1 63 THR MG 3.220 . 5.140 3.019 3.019 3.019 . 0 0 "[ ]" 1
365 1 8 LYS H 1 8 LYS HB3 2.440 . 2.980 3.005 3.005 3.005 0.025 1 0 "[ ]" 1
366 1 66 GLU H 1 66 GLU HB3 2.680 . 3.470 3.573 3.573 3.573 0.103 1 0 "[ ]" 1
367 1 36 PHE QE 1 98 LEU HB2 2.830 . 7.760 3.542 3.542 3.542 . 0 0 "[ ]" 1
368 1 57 ILE H 1 57 ILE QG 2.880 . 4.560 1.791 1.791 1.791 0.109 1 0 "[ ]" 1
369 1 40 THR H 1 40 THR MG 2.970 . 4.640 1.965 1.965 1.965 . 0 0 "[ ]" 1
370 1 36 PHE HZ 1 95 ILE MG 3.170 . 5.040 2.934 2.934 2.934 . 0 0 "[ ]" 1
371 1 82 PHE QE 1 85 ILE QG 2.700 . 8.200 3.113 3.113 3.113 . 0 0 "[ ]" 1
372 1 78 THR HB 1 78 THR MG 2.950 . 4.600 2.106 2.106 2.106 . 0 0 "[ ]" 1
373 1 19 THR HB 1 19 THR MG 3.030 . 4.760 2.139 2.139 2.139 . 0 0 "[ ]" 1
374 1 50 ASP HA 1 50 ASP QB 2.450 . 3.700 2.511 2.511 2.511 . 0 0 "[ ]" 1
375 1 66 GLU HA 1 66 GLU HB2 2.780 . 3.660 3.030 3.030 3.030 . 0 0 "[ ]" 1
376 1 4 GLU HA 1 4 GLU QB 2.380 . 3.560 2.528 2.528 2.528 . 0 0 "[ ]" 1
377 1 93 ASP HA 1 93 ASP QB 2.350 . 3.500 2.325 2.325 2.325 . 0 0 "[ ]" 1
378 1 82 PHE HZ 1 85 ILE QG 2.640 . 4.090 2.798 2.798 2.798 . 0 0 "[ ]" 1
379 1 83 ALA HA 1 83 ALA MB 2.920 . 4.540 2.131 2.131 2.131 . 0 0 "[ ]" 1
380 1 49 THR HA 1 49 THR MG 2.960 . 4.620 3.182 3.182 3.182 . 0 0 "[ ]" 1
381 1 101 ALA HA 1 101 ALA MB 2.950 . 4.600 2.150 2.150 2.150 . 0 0 "[ ]" 1
382 1 89 THR HB 1 89 THR MG 2.860 . 4.420 2.135 2.135 2.135 . 0 0 "[ ]" 1
383 1 71 PRO QD 1 71 PRO QG 2.850 . 5.200 1.955 1.955 1.955 . 0 0 "[ ]" 1
384 1 76 PRO QD 1 76 PRO QG 2.590 . 4.680 1.963 1.963 1.963 . 0 0 "[ ]" 1
385 1 8 LYS HA 1 8 LYS HB3 2.380 . 2.850 2.935 2.935 2.935 0.085 1 0 "[ ]" 1
386 1 5 LYS HA 1 5 LYS QB 2.410 . 3.630 2.512 2.512 2.512 . 0 0 "[ ]" 1
387 1 11 VAL HA 1 11 VAL MG2 2.800 . 4.300 2.533 2.533 2.533 . 0 0 "[ ]" 1
388 1 61 GLU HA 1 64 LEU HB3 3.200 . 4.500 4.489 4.489 4.489 . 0 0 "[ ]" 1
389 1 1 GLY HA3 1 96 ALA MB 3.650 . 6.010 1.777 1.777 1.777 0.123 1 0 "[ ]" 1
390 1 88 LYS HA 1 88 LYS QB 2.700 . 4.200 2.446 2.446 2.446 . 0 0 "[ ]" 1
391 1 73 LYS QD 1 73 LYS QE 2.330 . 4.160 2.105 2.105 2.105 . 0 0 "[ ]" 1
392 1 20 VAL HB 1 20 VAL MG1 2.610 . 3.920 2.125 2.125 2.125 . 0 0 "[ ]" 1
393 1 94 LEU HA 1 94 LEU MD2 3.120 . 4.940 2.315 2.315 2.315 . 0 0 "[ ]" 1
394 1 47 THR HA 1 47 THR MG 3.210 . 5.120 3.180 3.180 3.180 . 0 0 "[ ]" 1
395 1 58 THR HB 1 58 THR MG 2.990 . 4.680 2.116 2.116 2.116 . 0 0 "[ ]" 1
396 1 46 PHE HA 1 46 PHE HB3 2.630 . 3.350 3.036 3.036 3.036 . 0 0 "[ ]" 1
397 1 61 GLU HA 1 95 ILE MG 3.300 . 5.300 3.325 3.325 3.325 . 0 0 "[ ]" 1
398 1 9 ILE HA 1 9 ILE MG 3.260 . 5.220 2.177 2.177 2.177 . 0 0 "[ ]" 1
399 1 98 LEU HA 1 98 LEU MD1 3.050 . 4.800 1.805 1.805 1.805 0.105 1 0 "[ ]" 1
400 1 47 THR HB 1 47 THR MG 3.240 . 5.180 2.134 2.134 2.134 . 0 0 "[ ]" 1
401 1 64 LEU HA 1 64 LEU MD2 3.090 . 4.880 1.822 1.822 1.822 0.078 1 0 "[ ]" 1
402 1 28 THR HB 1 28 THR MG 2.880 . 4.470 2.152 2.152 2.152 . 0 0 "[ ]" 1
403 1 68 LEU HA 1 68 LEU MD2 3.240 . 5.180 1.813 1.813 1.813 0.087 1 0 "[ ]" 1
404 1 64 LEU HB3 1 95 ILE MD 2.750 . 4.200 1.969 1.969 1.969 . 0 0 "[ ]" 1
405 1 94 LEU MD1 1 94 LEU HG 3.050 . 4.800 2.139 2.139 2.139 . 0 0 "[ ]" 1
406 1 85 ILE MD 1 85 ILE QG 3.400 . 6.200 1.881 1.881 1.881 0.019 1 0 "[ ]" 1
407 1 68 LEU QB 1 68 LEU MD2 3.320 . 6.040 2.375 2.375 2.375 . 0 0 "[ ]" 1
408 1 15 ALA H 1 15 ALA HA 2.680 . 3.470 2.957 2.957 2.957 . 0 0 "[ ]" 1
409 1 12 GLN H 1 13 LYS H 2.620 . 3.340 2.207 2.207 2.207 . 0 0 "[ ]" 1
410 1 95 ILE H 1 96 ALA H 2.800 . 3.700 3.264 3.264 3.264 . 0 0 "[ ]" 1
411 1 5 LYS H 1 6 GLY H 2.420 . 2.950 2.969 2.969 2.969 0.019 1 0 "[ ]" 1
412 1 73 LYS H 1 74 TYR H 2.440 . 2.980 2.996 2.996 2.996 0.016 1 0 "[ ]" 1
413 1 13 LYS HA 1 14 CYS H 3.200 . 4.500 3.615 3.615 3.615 . 0 0 "[ ]" 1
414 1 74 TYR QB 1 75 ILE H 2.710 . 4.220 3.352 3.352 3.352 . 0 0 "[ ]" 1
415 1 4 GLU QB 1 5 LYS H 3.100 . 5.000 2.911 2.911 2.911 . 0 0 "[ ]" 1
416 1 66 GLU HB3 1 67 TYR H 2.450 . 3.010 2.928 2.928 2.928 . 0 0 "[ ]" 1
417 1 11 VAL HB 1 12 GLN H 2.790 . 3.680 3.429 3.429 3.429 . 0 0 "[ ]" 1
418 1 62 GLU QB 1 63 THR H 3.200 . 5.200 2.573 2.573 2.573 . 0 0 "[ ]" 1
419 1 31 ASN H 1 31 ASN HB2 3.200 . 4.500 3.635 3.635 3.635 . 0 0 "[ ]" 1
420 1 31 ASN HA 1 32 LEU H 2.290 . 2.680 2.689 2.689 2.689 0.009 1 0 "[ ]" 1
421 1 30 PRO HA 1 31 ASN H 2.360 . 2.820 2.242 2.242 2.242 . 0 0 "[ ]" 1
422 1 88 LYS HA 1 91 ARG HB2 2.530 . 3.160 2.626 2.626 2.626 . 0 0 "[ ]" 1
423 1 90 GLU HA 1 93 ASP QB 2.570 . 3.940 2.883 2.883 2.883 . 0 0 "[ ]" 1
424 1 92 GLU HA 1 95 ILE HB 2.360 . 2.810 2.758 2.758 2.758 . 0 0 "[ ]" 1
425 1 95 ILE HA 1 98 LEU HB3 2.540 . 3.180 3.298 3.298 3.298 0.118 1 0 "[ ]" 1
426 1 67 TYR H 1 67 TYR HA 2.770 . 3.640 2.740 2.740 2.740 . 0 0 "[ ]" 1
427 1 74 TYR H 1 74 TYR QB 2.900 . 4.610 2.170 2.170 2.170 . 0 0 "[ ]" 1
428 1 67 TYR H 1 67 TYR HB3 2.440 . 2.990 2.788 2.788 2.788 . 0 0 "[ ]" 1
429 1 73 LYS QB 1 74 TYR H 2.770 . 4.340 2.993 2.993 2.993 . 0 0 "[ ]" 1
430 1 62 GLU H 1 62 GLU QB 2.570 . 3.940 2.250 2.250 2.250 . 0 0 "[ ]" 1
431 1 72 LYS H 1 72 LYS QB 2.940 . 4.260 2.385 2.385 2.385 . 0 0 "[ ]" 1
432 1 87 LYS H 1 87 LYS HB2 2.490 . 3.080 2.484 2.484 2.484 . 0 0 "[ ]" 1
433 1 64 LEU HA 1 67 TYR H 2.820 . 3.740 3.249 3.249 3.249 . 0 0 "[ ]" 1
434 1 64 LEU H 1 64 LEU HB3 3.200 . 4.500 3.683 3.683 3.683 . 0 0 "[ ]" 1
435 1 67 TYR HB2 1 67 TYR HD1 3.200 . 4.500 3.784 3.784 3.784 . 0 0 "[ ]" 1
436 1 98 LEU HA 1 100 LYS H 3.200 . 4.500 4.484 4.484 4.484 . 0 0 "[ ]" 1
437 1 36 PHE QE 1 95 ILE HA 3.200 . 8.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
438 1 10 PHE HD1 1 20 VAL MG2 6.020 . 10.740 6.141 6.141 6.141 . 0 0 "[ ]" 1
439 1 61 GLU HB3 1 95 ILE MG 3.900 . 6.500 3.885 3.885 3.885 . 0 0 "[ ]" 1
440 1 57 ILE MG 1 63 THR MG 4.700 . 8.700 3.465 3.465 3.465 . 0 0 "[ ]" 1
441 1 18 HIS H 1 18 HIS HB3 3.200 . 4.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
442 1 26 HIS QB 1 27 LYS H 3.200 . 5.200 3.927 3.927 3.927 . 0 0 "[ ]" 1
443 1 67 TYR HA 1 67 TYR HD1 5.320 . 8.740 3.168 3.168 3.168 . 0 0 "[ ]" 1
444 1 36 PHE QE 1 98 LEU HA 3.200 . 8.500 3.895 3.895 3.895 . 0 0 "[ ]" 1
445 1 67 TYR HA 1 67 TYR HD2 3.200 . 4.500 3.752 3.752 3.752 . 0 0 "[ ]" 1
446 1 82 PHE QE 1 85 ILE MD 3.900 . 10.500 2.954 2.954 2.954 . 0 0 "[ ]" 1
447 1 32 LEU HB2 1 102 THR MG 3.900 . 6.500 4.170 4.170 4.170 . 0 0 "[ ]" 1
448 1 68 LEU MD2 1 85 ILE MD 4.700 . 8.700 2.089 2.089 2.089 . 0 0 "[ ]" 1
449 1 17 CYS H 1 18 HIS HA 3.200 . 4.500 4.595 4.595 4.595 0.095 1 0 "[ ]" 1
450 1 78 THR H 1 78 THR HG1 3.200 . 4.500 4.488 4.488 4.488 . 0 0 "[ ]" 1
451 1 37 GLY HA2 1 38 ARG H 3.200 . 4.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
452 1 37 GLY H 1 38 ARG QB 3.200 . 5.200 4.459 4.459 4.459 . 0 0 "[ ]" 1
453 1 88 LYS H 1 88 LYS QB 3.200 . 5.200 3.012 3.012 3.012 . 0 0 "[ ]" 1
454 1 44 PRO HA 1 46 PHE H 3.200 . 4.500 3.331 3.331 3.331 . 0 0 "[ ]" 1
455 1 40 THR HG1 1 52 ASN HB3 3.450 . 5.000 5.272 5.272 5.272 0.272 1 0 "[ ]" 1
456 1 44 PRO QD 1 48 TYR HD2 5.320 . 9.440 4.500 4.500 4.500 . 0 0 "[ ]" 1
457 1 10 PHE HZ 1 18 HIS HB2 3.200 . 4.500 2.840 2.840 2.840 . 0 0 "[ ]" 1
458 1 7 LYS H 1 97 TYR HB3 3.200 . 4.500 3.950 3.950 3.950 . 0 0 "[ ]" 1
459 1 98 LEU HA 1 102 THR H 3.200 . 4.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
460 1 91 ARG HA 1 94 LEU H 3.200 . 4.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
461 1 10 PHE HE2 1 20 VAL MG2 6.020 . 10.740 4.449 4.449 4.449 . 0 0 "[ ]" 1
462 1 99 LYS QB 1 100 LYS H 3.200 . 5.200 2.306 2.306 2.306 . 0 0 "[ ]" 1
463 1 64 LEU MD2 1 67 TYR HD2 3.200 . 5.100 3.943 3.943 3.943 . 0 0 "[ ]" 1
464 1 33 HIS QB 1 34 GLY QA 3.200 . 5.900 4.034 4.034 4.034 . 0 0 "[ ]" 1
465 1 101 ALA MB 1 102 THR HA 3.900 . 6.500 3.830 3.830 3.830 . 0 0 "[ ]" 1
466 1 95 ILE MG 1 96 ALA HA 3.900 . 6.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
467 1 35 LEU MD1 1 64 LEU MD1 4.700 . 8.700 1.711 1.711 1.711 0.189 1 0 "[ ]" 1
468 1 62 GLU HA 1 66 GLU H 3.200 . 4.500 3.424 3.424 3.424 . 0 0 "[ ]" 1
469 1 63 THR HA 1 66 GLU HB2 3.200 . 4.500 3.292 3.292 3.292 . 0 0 "[ ]" 1
470 1 89 THR HB 1 90 GLU H 3.200 . 4.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
471 1 89 THR HA 1 90 GLU H 3.200 . 4.500 3.582 3.582 3.582 . 0 0 "[ ]" 1
472 1 10 PHE HA 1 11 VAL H 3.200 . 4.500 3.579 3.579 3.579 . 0 0 "[ ]" 1
473 1 88 LYS HA 1 92 GLU H 3.200 . 4.500 4.202 4.202 4.202 . 0 0 "[ ]" 1
474 1 98 LEU HA 1 99 LYS H 3.200 . 4.500 3.562 3.562 3.562 . 0 0 "[ ]" 1
475 1 96 ALA HA 1 100 LYS H 3.200 . 4.500 4.626 4.626 4.626 0.126 1 0 "[ ]" 1
476 1 88 LYS HA 1 91 ARG HB3 3.200 . 4.500 3.747 3.747 3.747 . 0 0 "[ ]" 1
477 1 91 ARG HA 1 94 LEU HB3 3.200 . 4.500 3.657 3.657 3.657 . 0 0 "[ ]" 1
478 1 93 ASP HA 1 96 ALA MB 3.900 . 6.500 3.105 3.105 3.105 . 0 0 "[ ]" 1
479 1 94 LEU HA 1 97 TYR HB2 3.200 . 4.500 4.511 4.511 4.511 0.011 1 0 "[ ]" 1
480 1 80 MET H 1 80 MET QB 3.200 . 5.200 2.990 2.990 2.990 . 0 0 "[ ]" 1
481 1 78 THR HG1 1 80 MET H 3.200 . 4.500 3.193 3.193 3.193 . 0 0 "[ ]" 1
482 1 17 CYS H 1 17 CYS HB3 3.200 . 4.500 3.271 3.271 3.271 . 0 0 "[ ]" 1
483 1 80 MET HA 1 81 ILE H 3.200 . 4.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
484 1 46 PHE HZ 1 48 TYR HD1 5.320 . 8.740 5.913 5.913 5.913 . 0 0 "[ ]" 1
485 1 48 TYR HD2 1 52 ASN HB3 5.320 . 8.740 3.773 3.773 3.773 . 0 0 "[ ]" 1
486 1 46 PHE HA 1 46 PHE HD2 5.320 . 8.740 4.641 4.641 4.641 . 0 0 "[ ]" 1
487 1 71 PRO HA 1 71 PRO QD 3.200 . 5.200 3.298 3.298 3.298 . 0 0 "[ ]" 1
488 1 82 PHE HA 1 82 PHE QB 3.200 . 5.200 2.273 2.273 2.273 . 0 0 "[ ]" 1
489 1 30 PRO HA 1 30 PRO QD 3.200 . 5.200 3.471 3.471 3.471 . 0 0 "[ ]" 1
490 1 30 PRO QB 1 30 PRO QD 3.200 . 5.900 3.044 3.044 3.044 . 0 0 "[ ]" 1
491 1 30 PRO QD 1 30 PRO QG 3.200 . 5.900 1.949 1.949 1.949 . 0 0 "[ ]" 1
492 1 46 PHE H 1 48 TYR HE2 5.320 . 8.740 6.368 6.368 6.368 . 0 0 "[ ]" 1
493 1 68 LEU QB 1 68 LEU MD1 3.900 . 7.200 2.111 2.111 2.111 . 0 0 "[ ]" 1
494 1 17 CYS H 1 17 CYS HB2 3.200 . 4.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
495 1 67 TYR HE1 1 82 PHE QD 3.200 . 8.500 5.222 5.222 5.222 . 0 0 "[ ]" 1
496 1 64 LEU H 1 65 MET H 3.200 . 4.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
497 1 74 TYR QD 1 75 ILE H 3.200 . 8.500 2.436 2.436 2.436 . 0 0 "[ ]" 1
498 1 67 TYR HB2 1 74 TYR QB 3.200 . 5.200 2.823 2.823 2.823 . 0 0 "[ ]" 1
499 1 17 CYS HB2 1 18 HIS H 3.200 . 4.500 3.708 3.708 3.708 . 0 0 "[ ]" 1
500 1 10 PHE HE1 1 32 LEU H 5.320 . 8.740 5.732 5.732 5.732 . 0 0 "[ ]" 1
501 1 40 THR HG1 1 56 GLY H 3.200 . 4.500 4.254 4.254 4.254 . 0 0 "[ ]" 1
502 1 19 THR HB 1 31 ASN HA 3.200 . 4.500 4.581 4.581 4.581 0.081 1 0 "[ ]" 1
503 1 41 GLY HA2 1 53 LYS HA 3.200 . 4.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
504 1 26 HIS QB 1 46 PHE HB3 3.200 . 5.200 4.209 4.209 4.209 . 0 0 "[ ]" 1
505 1 19 THR H 1 32 LEU H 3.200 . 4.500 4.079 4.079 4.079 . 0 0 "[ ]" 1
506 1 33 HIS QB 1 34 GLY H 3.200 . 5.200 3.449 3.449 3.449 . 0 0 "[ ]" 1
507 1 15 ALA H 1 16 GLN H 3.200 . 4.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
508 1 78 THR H 1 79 LYS H 3.200 . 4.500 4.577 4.577 4.577 0.077 1 0 "[ ]" 1
509 1 67 TYR H 1 74 TYR QD 3.200 . 8.500 5.140 5.140 5.140 . 0 0 "[ ]" 1
510 1 79 LYS HA 1 80 MET H 3.200 . 4.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
511 1 82 PHE H 1 83 ALA HA 3.200 . 4.500 4.275 4.275 4.275 . 0 0 "[ ]" 1
512 1 101 ALA H 1 102 THR HB 3.200 . 4.500 4.628 4.628 4.628 0.128 1 0 "[ ]" 1
513 1 50 ASP QB 1 51 ALA H 3.200 . 5.200 3.938 3.938 3.938 . 0 0 "[ ]" 1
514 1 2 ASP H 1 5 LYS QB 3.200 . 5.200 4.591 4.591 4.591 . 0 0 "[ ]" 1
515 1 20 VAL H 1 101 ALA MB 4.160 . 7.020 5.260 5.260 5.260 . 0 0 "[ ]" 1
516 1 40 THR H 1 57 ILE H 3.200 . 4.500 4.402 4.402 4.402 . 0 0 "[ ]" 1
517 1 15 ALA HA 1 19 THR HA 3.200 . 4.500 4.145 4.145 4.145 . 0 0 "[ ]" 1
518 1 10 PHE HD1 1 97 TYR HE2 7.440 . 12.980 2.879 2.879 2.879 . 0 0 "[ ]" 1
519 1 101 ALA HA 1 104 GLU H 3.200 . 4.500 4.501 4.501 4.501 0.001 1 0 "[ ]" 1
520 1 4 GLU HA 1 8 LYS H 3.200 . 4.500 4.271 4.271 4.271 . 0 0 "[ ]" 1
521 1 36 PHE QE 1 60 LYS HA 3.200 . 8.500 3.624 3.624 3.624 . 0 0 "[ ]" 1
522 1 97 TYR HA 1 97 TYR HD2 5.320 . 8.740 4.520 4.520 4.520 . 0 0 "[ ]" 1
523 1 71 PRO QD 1 82 PHE QD 3.200 . 9.200 3.766 3.766 3.766 . 0 0 "[ ]" 1
524 1 82 PHE HA 1 82 PHE QD 3.200 . 8.500 3.103 3.103 3.103 . 0 0 "[ ]" 1
525 1 10 PHE HA 1 10 PHE HD2 5.320 . 8.740 4.231 4.231 4.231 . 0 0 "[ ]" 1
526 1 94 LEU HA 1 97 TYR HD2 5.320 . 8.740 2.674 2.674 2.674 . 0 0 "[ ]" 1
527 1 66 GLU H 1 67 TYR HB3 3.200 . 4.500 4.639 4.639 4.639 0.139 1 0 "[ ]" 1
528 1 97 TYR HD2 1 98 LEU HG 5.320 . 8.740 4.863 4.863 4.863 . 0 0 "[ ]" 1
529 1 97 TYR HD2 1 101 ALA MB 6.020 . 10.740 4.251 4.251 4.251 . 0 0 "[ ]" 1
530 1 9 ILE MD 1 90 GLU H 3.900 . 6.500 4.842 4.842 4.842 . 0 0 "[ ]" 1
531 1 46 PHE HD2 1 48 TYR HA 5.320 . 8.740 5.425 5.425 5.425 . 0 0 "[ ]" 1
532 1 97 TYR HA 1 97 TYR HE2 5.320 . 8.740 6.265 6.265 6.265 . 0 0 "[ ]" 1
533 1 19 THR HB 1 24 GLY HA2 3.200 . 4.500 3.042 3.042 3.042 . 0 0 "[ ]" 1
534 1 46 PHE HE1 1 48 TYR HA 5.320 . 8.740 7.543 7.543 7.543 . 0 0 "[ ]" 1
535 1 67 TYR HA 1 71 PRO HA 3.200 . 4.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
536 1 71 PRO HA 1 74 TYR QB 3.200 . 5.200 4.179 4.179 4.179 . 0 0 "[ ]" 1
537 1 71 PRO QB 1 71 PRO QD 3.200 . 5.900 3.049 3.049 3.049 . 0 0 "[ ]" 1
538 1 67 TYR HA 1 74 TYR HA 3.200 . 4.500 4.554 4.554 4.554 0.054 1 0 "[ ]" 1
539 1 43 ALA HA 1 44 PRO QD 3.200 . 5.200 1.798 1.798 1.798 0.102 1 0 "[ ]" 1
540 1 26 HIS QB 1 46 PHE HD2 5.320 . 5.700 3.245 3.245 3.245 . 0 0 "[ ]" 1
541 1 19 THR HB 1 24 GLY HA3 3.200 . 4.500 4.311 4.311 4.311 . 0 0 "[ ]" 1
542 1 71 PRO HA 1 71 PRO QG 3.200 . 5.200 3.356 3.356 3.356 . 0 0 "[ ]" 1
543 1 71 PRO QB 1 71 PRO QG 3.200 . 5.900 1.962 1.962 1.962 . 0 0 "[ ]" 1
544 1 52 ASN HB3 1 78 THR HA 3.200 . 4.500 4.590 4.590 4.590 0.090 1 0 "[ ]" 1
545 1 76 PRO HA 1 76 PRO QD 3.200 . 5.200 3.397 3.397 3.397 . 0 0 "[ ]" 1
546 1 26 HIS HA 1 26 HIS QB 3.200 . 5.200 2.261 2.261 2.261 . 0 0 "[ ]" 1
547 1 103 ASN HA 1 103 ASN QB 3.200 . 5.200 2.534 2.534 2.534 . 0 0 "[ ]" 1
548 1 54 ASN HA 1 54 ASN QB 3.200 . 5.200 2.328 2.328 2.328 . 0 0 "[ ]" 1
549 1 73 LYS HA 1 76 PRO QG 3.200 . 5.200 3.646 3.646 3.646 . 0 0 "[ ]" 1
550 1 73 LYS HA 1 76 PRO QD 3.200 . 5.200 3.687 3.687 3.687 . 0 0 "[ ]" 1
551 1 42 GLN HA 1 42 GLN QB 3.200 . 5.200 2.176 2.176 2.176 . 0 0 "[ ]" 1
552 1 63 THR HA 1 64 LEU HA 3.200 . 4.500 4.573 4.573 4.573 0.073 1 0 "[ ]" 1
553 1 12 GLN HA 1 12 GLN QG 3.200 . 5.200 3.280 3.280 3.280 . 0 0 "[ ]" 1
554 1 97 TYR HE2 1 101 ALA MB 6.020 . 10.740 3.857 3.857 3.857 . 0 0 "[ ]" 1
555 1 32 LEU HA 1 35 LEU MD2 3.900 . 6.500 3.566 3.566 3.566 . 0 0 "[ ]" 1
556 1 101 ALA MB 1 102 THR HB 3.900 . 6.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
557 1 2 ASP HA 1 3 VAL MG2 3.900 . 6.500 3.580 3.580 3.580 . 0 0 "[ ]" 1
558 1 49 THR HB 1 49 THR MG 3.900 . 6.500 2.128 2.128 2.128 . 0 0 "[ ]" 1
559 1 38 ARG HA 1 38 ARG QB 3.200 . 5.200 2.450 2.450 2.450 . 0 0 "[ ]" 1
560 1 63 THR HB 1 63 THR MG 3.900 . 6.500 2.140 2.140 2.140 . 0 0 "[ ]" 1
561 1 57 ILE HA 1 57 ILE QG 3.200 . 5.200 3.288 3.288 3.288 . 0 0 "[ ]" 1
562 1 37 GLY HA2 1 58 THR MG 3.900 . 6.500 4.362 4.362 4.362 . 0 0 "[ ]" 1
563 1 43 ALA MB 1 44 PRO QD 3.900 . 7.200 3.297 3.297 3.297 . 0 0 "[ ]" 1
564 1 57 ILE MD 1 63 THR HB 3.900 . 6.500 4.209 4.209 4.209 . 0 0 "[ ]" 1
565 1 57 ILE HA 1 57 ILE MD 3.900 . 6.500 4.133 4.133 4.133 . 0 0 "[ ]" 1
566 1 30 PRO QD 1 46 PHE HE1 5.320 . 9.440 5.214 5.214 5.214 . 0 0 "[ ]" 1
567 1 19 THR MG 1 24 GLY HA3 3.900 . 6.500 5.491 5.491 5.491 . 0 0 "[ ]" 1
568 1 36 PHE HB3 1 99 LYS HA 3.200 . 4.600 4.695 4.695 4.695 0.095 1 0 "[ ]" 1
569 1 98 LEU HA 1 98 LEU HG 3.200 . 4.500 3.589 3.589 3.589 . 0 0 "[ ]" 1
570 1 2 ASP QB 1 5 LYS QB 3.200 . 5.900 1.717 1.717 1.717 0.183 1 0 "[ ]" 1
571 1 8 LYS QG 1 12 GLN QG 3.200 . 5.900 4.534 4.534 4.534 . 0 0 "[ ]" 1
572 1 85 ILE MG 1 90 GLU HA 3.900 . 6.500 4.190 4.190 4.190 . 0 0 "[ ]" 1
573 1 9 ILE HA 1 9 ILE MD 3.900 . 6.500 2.289 2.289 2.289 . 0 0 "[ ]" 1
574 1 98 LEU HA 1 98 LEU MD2 3.900 . 6.500 2.186 2.186 2.186 . 0 0 "[ ]" 1
575 1 91 ARG HA 1 94 LEU MD1 3.900 . 6.500 3.224 3.224 3.224 . 0 0 "[ ]" 1
576 1 68 LEU HA 1 68 LEU MD1 3.900 . 6.500 3.683 3.683 3.683 . 0 0 "[ ]" 1
577 1 9 ILE MD 1 9 ILE QG 3.900 . 7.200 1.881 1.881 1.881 0.019 1 0 "[ ]" 1
578 1 42 GLN H 1 43 ALA H 3.200 . 4.500 3.682 3.682 3.682 . 0 0 "[ ]" 1
579 1 71 PRO QD 1 72 LYS H 3.200 . 5.200 3.423 3.423 3.423 . 0 0 "[ ]" 1
580 1 52 ASN HA 1 53 LYS H 3.200 . 4.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
581 1 10 PHE HA 1 13 LYS H 3.200 . 4.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
582 1 71 PRO QG 1 82 PHE QD 3.200 . 9.200 3.683 3.683 3.683 . 0 0 "[ ]" 1
583 1 103 ASN QB 1 104 GLU H 3.200 . 5.200 3.458 3.458 3.458 . 0 0 "[ ]" 1
584 1 26 HIS QB 1 46 PHE HE1 5.320 . 9.440 3.261 3.261 3.261 . 0 0 "[ ]" 1
585 1 7 LYS HA 1 10 PHE HB2 3.200 . 4.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
586 1 99 LYS HA 1 99 LYS QB 3.200 . 5.200 2.348 2.348 2.348 . 0 0 "[ ]" 1
587 1 6 GLY HA3 1 9 ILE MD 3.900 . 6.500 5.281 5.281 5.281 . 0 0 "[ ]" 1
588 1 9 ILE MD 1 12 GLN HB2 3.900 . 6.500 5.608 5.608 5.608 . 0 0 "[ ]" 1
589 1 100 LYS QB 1 101 ALA MB 3.900 . 7.200 4.291 4.291 4.291 . 0 0 "[ ]" 1
590 1 94 LEU HG 1 98 LEU MD2 3.900 . 6.500 4.892 4.892 4.892 . 0 0 "[ ]" 1
591 1 23 GLY H 1 24 GLY H 3.200 . 4.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
592 1 6 GLY H 1 9 ILE H 3.200 . 4.500 4.633 4.633 4.633 0.133 1 0 "[ ]" 1
593 1 19 THR HB 1 25 LYS H 3.200 . 4.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
594 1 61 GLU HA 1 64 LEU H 3.200 . 4.500 3.332 3.332 3.332 . 0 0 "[ ]" 1
595 1 49 THR MG 1 52 ASN H 3.900 . 6.500 2.137 2.137 2.137 . 0 0 "[ ]" 1
596 1 67 TYR HD1 1 74 TYR QD 5.320 . 12.740 4.703 4.703 4.703 . 0 0 "[ ]" 1
597 1 10 PHE HA 1 10 PHE HD1 5.320 . 8.740 2.595 2.595 2.595 . 0 0 "[ ]" 1
598 1 59 TRP HB3 1 59 TRP HE3 3.200 . 4.500 3.083 3.083 3.083 . 0 0 "[ ]" 1
599 1 53 LYS HA 1 55 LYS H 3.200 . 4.500 4.503 4.503 4.503 0.003 1 0 "[ ]" 1
600 1 26 HIS HD2 1 46 PHE HA 3.200 . 4.500 4.535 4.535 4.535 0.035 1 0 "[ ]" 1
601 1 97 TYR HD2 1 98 LEU HA 5.320 . 8.740 3.611 3.611 3.611 . 0 0 "[ ]" 1
602 1 36 PHE QD 1 60 LYS HB3 3.200 . 8.500 4.843 4.843 4.843 . 0 0 "[ ]" 1
603 1 16 GLN QB 1 82 PHE QD 3.200 . 9.200 6.792 6.792 6.792 . 0 0 "[ ]" 1
604 1 89 THR MG 1 90 GLU H 3.200 . 5.100 3.784 3.784 3.784 . 0 0 "[ ]" 1
605 1 35 LEU MD1 1 59 TRP HD1 3.900 . 6.500 5.343 5.343 5.343 . 0 0 "[ ]" 1
606 1 76 PRO HA 1 76 PRO QG 3.200 . 5.200 3.340 3.340 3.340 . 0 0 "[ ]" 1
607 1 38 ARG HA 1 38 ARG QG 3.200 . 5.200 2.278 2.278 2.278 . 0 0 "[ ]" 1
608 1 1 GLY HA3 1 93 ASP HA 3.200 . 4.500 3.809 3.809 3.809 . 0 0 "[ ]" 1
609 1 43 ALA HA 1 43 ALA MB 3.900 . 6.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
610 1 9 ILE MG 1 10 PHE HA 3.900 . 6.500 3.916 3.916 3.916 . 0 0 "[ ]" 1
611 1 95 ILE HA 1 98 LEU MD2 3.900 . 6.500 4.648 4.648 4.648 . 0 0 "[ ]" 1
612 1 97 TYR H 1 99 LYS H 3.200 . 4.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
613 1 19 THR HG1 1 31 ASN HA 3.200 . 4.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
614 1 91 ARG HA 1 92 GLU H 3.200 . 4.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
615 1 37 GLY HA3 1 39 LYS H 3.200 . 4.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
616 1 37 GLY H 1 59 TRP HB2 3.200 . 4.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
617 1 40 THR H 1 40 THR HB 3.200 . 4.500 3.705 3.705 3.705 . 0 0 "[ ]" 1
618 1 36 PHE QD 1 37 GLY HA2 3.200 . 8.500 5.711 5.711 5.711 . 0 0 "[ ]" 1
619 1 36 PHE QD 1 99 LYS HA 3.200 . 8.500 2.025 2.025 2.025 . 0 0 "[ ]" 1
620 1 73 LYS H 1 73 LYS QD 3.200 . 5.200 4.591 4.591 4.591 . 0 0 "[ ]" 1
621 1 66 GLU HB3 1 74 TYR QD 3.200 . 8.500 5.834 5.834 5.834 . 0 0 "[ ]" 1
622 1 42 GLN H 1 42 GLN QB 3.200 . 5.200 2.839 2.839 2.839 . 0 0 "[ ]" 1
623 1 35 LEU HG 1 36 PHE QD 3.200 . 8.500 5.022 5.022 5.022 . 0 0 "[ ]" 1
624 1 10 PHE HD2 1 11 VAL MG2 6.020 . 10.740 2.281 2.281 2.281 . 0 0 "[ ]" 1
625 1 36 PHE QE 1 102 THR MG 3.900 . 10.500 4.796 4.796 4.796 . 0 0 "[ ]" 1
626 1 85 ILE MD 1 91 ARG H 3.900 . 6.500 5.709 5.709 5.709 . 0 0 "[ ]" 1
627 1 10 PHE HB2 1 97 TYR HE2 5.320 . 8.740 2.029 2.029 2.029 . 0 0 "[ ]" 1
628 1 55 LYS HA 1 55 LYS QB 3.200 . 5.200 2.542 2.542 2.542 . 0 0 "[ ]" 1
629 1 63 THR HA 1 63 THR MG 3.900 . 6.500 2.114 2.114 2.114 . 0 0 "[ ]" 1
630 1 94 LEU HA 1 97 TYR HB3 3.200 . 4.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
631 1 44 PRO QB 1 44 PRO QG 3.200 . 5.900 1.959 1.959 1.959 . 0 0 "[ ]" 1
632 1 98 LEU HA 1 102 THR MG 3.900 . 6.500 5.463 5.463 5.463 . 0 0 "[ ]" 1
633 1 91 ARG HA 1 94 LEU HB2 3.200 . 4.500 2.670 2.670 2.670 . 0 0 "[ ]" 1
634 1 52 ASN HB3 1 75 ILE MG 3.900 . 6.500 4.762 4.762 4.762 . 0 0 "[ ]" 1
635 1 11 VAL MG1 1 12 GLN HB3 3.900 . 6.500 5.047 5.047 5.047 . 0 0 "[ ]" 1
636 1 94 LEU MD2 1 97 TYR HB2 3.900 . 6.500 5.276 5.276 5.276 . 0 0 "[ ]" 1
637 1 30 PRO HA 1 30 PRO QG 3.200 . 5.200 3.473 3.473 3.473 . 0 0 "[ ]" 1
638 1 98 LEU HB2 1 98 LEU MD2 3.900 . 6.500 2.187 2.187 2.187 . 0 0 "[ ]" 1
639 1 64 LEU HB3 1 64 LEU MD1 3.900 . 6.500 2.375 2.375 2.375 . 0 0 "[ ]" 1
640 1 93 ASP H 1 94 LEU H 3.200 . 4.500 2.895 2.895 2.895 . 0 0 "[ ]" 1
641 1 26 HIS HA 1 27 LYS H 3.200 . 4.500 2.608 2.608 2.608 . 0 0 "[ ]" 1
642 1 71 PRO HA 1 74 TYR H 3.200 . 4.500 3.917 3.917 3.917 . 0 0 "[ ]" 1
643 1 44 PRO HA 1 45 GLY H 3.200 . 4.500 3.478 3.478 3.478 . 0 0 "[ ]" 1
644 1 98 LEU HA 1 101 ALA H 3.200 . 4.500 3.057 3.057 3.057 . 0 0 "[ ]" 1
645 1 36 PHE QE 1 103 ASN H 3.200 . 8.500 6.436 6.436 6.436 . 0 0 "[ ]" 1
646 1 6 GLY HA3 1 9 ILE H 3.200 . 4.500 4.229 4.229 4.229 . 0 0 "[ ]" 1
647 1 7 LYS HA 1 97 TYR HD2 5.320 . 8.740 4.385 4.385 4.385 . 0 0 "[ ]" 1
648 1 74 TYR QD 1 75 ILE MG 3.900 . 10.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
649 1 89 THR MG 1 91 ARG H 3.900 . 6.500 5.368 5.368 5.368 . 0 0 "[ ]" 1
650 1 57 ILE MD 1 59 TRP HZ3 3.900 . 6.500 3.524 3.524 3.524 . 0 0 "[ ]" 1
651 1 44 PRO QD 1 44 PRO QG 3.200 . 5.900 1.960 1.960 1.960 . 0 0 "[ ]" 1
652 1 48 TYR HA 1 48 TYR QB 3.200 . 4.500 2.389 2.389 2.389 . 0 0 "[ ]" 1
653 1 97 TYR HE2 1 98 LEU MD1 6.020 . 10.740 3.943 3.943 3.943 . 0 0 "[ ]" 1
654 1 76 PRO HB3 1 78 THR MG 3.900 . 6.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
655 1 7 LYS HA 1 97 TYR HB3 3.200 . 4.500 4.520 4.520 4.520 0.020 1 0 "[ ]" 1
656 1 35 LEU HG 1 59 TRP HB3 3.200 . 4.500 4.598 4.598 4.598 0.098 1 0 "[ ]" 1
657 1 92 GLU HA 1 92 GLU QG 3.200 . 5.200 2.155 2.155 2.155 . 0 0 "[ ]" 1
658 1 10 PHE HA 1 94 LEU MD2 3.900 . 6.500 2.727 2.727 2.727 . 0 0 "[ ]" 1
659 1 101 ALA MB 1 102 THR MG 4.700 . 8.700 4.658 4.658 4.658 . 0 0 "[ ]" 1
660 1 35 LEU MD1 1 102 THR MG 4.700 . 8.700 4.965 4.965 4.965 . 0 0 "[ ]" 1
661 1 35 LEU MD1 1 35 LEU HG 3.900 . 6.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
662 1 57 ILE HB 1 57 ILE MD 3.900 . 6.500 2.532 2.532 2.532 . 0 0 "[ ]" 1
663 1 93 ASP HA 1 96 ALA H 3.200 . 4.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
664 1 7 LYS H 1 97 TYR HD1 5.320 . 8.740 3.543 3.543 3.543 . 0 0 "[ ]" 1
665 1 72 LYS HA 1 74 TYR H 3.200 . 4.500 4.516 4.516 4.516 0.016 1 0 "[ ]" 1
666 1 50 ASP HA 1 53 LYS H 3.200 . 4.500 4.492 4.492 4.492 . 0 0 "[ ]" 1
667 1 73 LYS HA 1 74 TYR H 3.200 . 4.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
668 1 82 PHE H 1 82 PHE QB 3.200 . 5.200 2.965 2.965 2.965 . 0 0 "[ ]" 1
669 1 10 PHE HA 1 14 CYS H 3.200 . 4.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
670 1 14 CYS HB2 1 15 ALA H 3.200 . 4.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
671 1 10 PHE HD1 1 97 TYR HD2 7.440 . 12.980 4.196 4.196 4.196 . 0 0 "[ ]" 1
672 1 55 LYS HA 1 56 GLY H 3.200 . 4.500 2.907 2.907 2.907 . 0 0 "[ ]" 1
673 1 36 PHE QD 1 102 THR MG 3.900 . 10.500 4.657 4.657 4.657 . 0 0 "[ ]" 1
674 1 102 THR MG 1 103 ASN H 3.900 . 6.500 3.582 3.582 3.582 . 0 0 "[ ]" 1
675 1 36 PHE HZ 1 98 LEU HB2 3.200 . 4.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
676 1 57 ILE MD 1 67 TYR HD2 6.020 . 10.740 3.970 3.970 3.970 . 0 0 "[ ]" 1
677 1 33 HIS HA 1 33 HIS QB 3.200 . 5.200 2.405 2.405 2.405 . 0 0 "[ ]" 1
678 1 49 THR MG 1 78 THR HA 3.900 . 6.500 1.839 1.839 1.839 0.061 1 0 "[ ]" 1
679 1 57 ILE MG 1 63 THR HA 3.900 . 6.500 5.326 5.326 5.326 . 0 0 "[ ]" 1
680 1 13 LYS HA 1 13 LYS QB 3.200 . 5.200 2.463 2.463 2.463 . 0 0 "[ ]" 1
681 1 51 ALA HA 1 51 ALA MB 3.900 . 6.500 2.135 2.135 2.135 . 0 0 "[ ]" 1
682 1 9 ILE MD 1 90 GLU HA 3.900 . 6.500 3.185 3.185 3.185 . 0 0 "[ ]" 1
683 1 72 LYS QB 1 72 LYS QG 3.200 . 4.900 2.111 2.111 2.111 . 0 0 "[ ]" 1
684 1 89 THR MG 1 92 GLU QB 3.900 . 7.200 4.657 4.657 4.657 . 0 0 "[ ]" 1
685 1 95 ILE HA 1 95 ILE MD 3.900 . 6.500 3.435 3.435 3.435 . 0 0 "[ ]" 1
686 1 10 PHE HB3 1 94 LEU MD2 3.900 . 6.500 3.467 3.467 3.467 . 0 0 "[ ]" 1
687 1 61 GLU HA 1 64 LEU MD1 3.900 . 6.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
688 1 8 LYS HB3 1 8 LYS QG 3.200 . 5.200 2.228 2.228 2.228 . 0 0 "[ ]" 1
689 1 57 ILE HB 1 57 ILE QG 3.200 . 5.200 2.272 2.272 2.272 . 0 0 "[ ]" 1
690 1 35 LEU MD1 1 99 LYS QB 4.410 . 7.300 4.570 4.570 4.570 . 0 0 "[ ]" 1
691 1 94 LEU HB3 1 94 LEU MD2 3.900 . 6.500 2.308 2.308 2.308 . 0 0 "[ ]" 1
692 1 9 ILE QG 1 9 ILE MG 3.900 . 7.200 2.410 2.410 2.410 . 0 0 "[ ]" 1
693 1 30 PRO QB 1 30 PRO QG 3.200 . 5.900 1.964 1.964 1.964 . 0 0 "[ ]" 1
694 1 64 LEU MD1 1 64 LEU HG 3.900 . 6.500 2.142 2.142 2.142 . 0 0 "[ ]" 1
695 1 68 LEU MD1 1 68 LEU HG 3.900 . 6.500 2.146 2.146 2.146 . 0 0 "[ ]" 1
696 1 64 LEU MD2 1 95 ILE MD 4.700 . 8.700 3.635 3.635 3.635 . 0 0 "[ ]" 1
697 1 38 ARG H 1 59 TRP H 3.200 . 4.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
698 1 88 LYS H 1 89 THR H 3.200 . 4.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
699 1 89 THR H 1 90 GLU H 3.200 . 4.500 3.201 3.201 3.201 . 0 0 "[ ]" 1
700 1 65 MET HA 1 66 GLU H 3.200 . 4.500 3.559 3.559 3.559 . 0 0 "[ ]" 1
701 1 6 GLY HA2 1 9 ILE H 3.200 . 4.500 2.790 2.790 2.790 . 0 0 "[ ]" 1
702 1 7 LYS HA 1 10 PHE H 3.200 . 4.500 3.745 3.745 3.745 . 0 0 "[ ]" 1
703 1 63 THR HA 1 66 GLU H 3.200 . 4.500 4.176 4.176 4.176 . 0 0 "[ ]" 1
704 1 65 MET HA 1 68 LEU H 3.200 . 4.500 4.364 4.364 4.364 . 0 0 "[ ]" 1
705 1 66 GLU HA 1 69 GLU H 3.200 . 4.500 3.923 3.923 3.923 . 0 0 "[ ]" 1
706 1 6 GLY HA3 1 10 PHE H 3.200 . 4.500 4.415 4.415 4.415 . 0 0 "[ ]" 1
707 1 65 MET HA 1 69 GLU H 3.200 . 4.500 4.429 4.429 4.429 . 0 0 "[ ]" 1
708 1 10 PHE HA 1 13 LYS QB 3.200 . 5.200 3.821 3.821 3.821 . 0 0 "[ ]" 1
709 1 63 THR H 1 63 THR HB 3.200 . 4.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
710 1 40 THR HA 1 41 GLY H 3.450 . 5.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
711 1 3 VAL H 1 3 VAL HB 3.450 . 5.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
712 1 76 PRO HA 1 77 GLY QA 3.450 . 5.700 4.382 4.382 4.382 . 0 0 "[ ]" 1
713 1 76 PRO HB3 1 77 GLY H 3.450 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
714 1 86 LYS QB 1 86 LYS QG 3.450 . 6.400 2.109 2.109 2.109 . 0 0 "[ ]" 1
715 1 12 GLN H 1 12 GLN HB2 3.450 . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
716 1 95 ILE MG 1 96 ALA H 3.950 . 6.600 1.988 1.988 1.988 . 0 0 "[ ]" 1
717 1 36 PHE H 1 36 PHE HB2 3.450 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
718 1 10 PHE HB2 1 11 VAL H 3.450 . 5.000 3.652 3.652 3.652 . 0 0 "[ ]" 1
719 1 10 PHE HB3 1 97 TYR HE2 3.450 . 5.000 2.707 2.707 2.707 . 0 0 "[ ]" 1
720 1 36 PHE H 1 36 PHE HB3 3.450 . 5.000 3.448 3.448 3.448 . 0 0 "[ ]" 1
721 1 40 THR MG 1 59 TRP HH2 3.950 . 6.600 5.240 5.240 5.240 . 0 0 "[ ]" 1
722 1 7 LYS HA 1 97 TYR HE2 3.450 . 5.000 4.335 4.335 4.335 . 0 0 "[ ]" 1
723 1 41 GLY HA2 1 42 GLN H 3.450 . 5.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
724 1 82 PHE HZ 1 85 ILE HB 3.450 . 5.000 4.907 4.907 4.907 . 0 0 "[ ]" 1
725 1 32 LEU HA 1 32 LEU MD1 3.950 . 6.600 1.759 1.759 1.759 0.141 1 0 "[ ]" 1
726 1 40 THR MG 1 58 THR HA 2.200 . 3.100 2.345 2.345 2.345 . 0 0 "[ ]" 1
727 1 10 PHE HB2 1 97 TYR HD2 3.450 . 5.000 2.847 2.847 2.847 . 0 0 "[ ]" 1
728 1 10 PHE HB2 1 97 TYR HE1 3.450 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
729 1 10 PHE HB3 1 97 TYR HE1 4.700 . 7.500 4.178 4.178 4.178 . 0 0 "[ ]" 1
730 1 81 ILE HA 1 81 ILE MG 3.950 . 6.600 2.794 2.794 2.794 . 0 0 "[ ]" 1
731 1 36 PHE HB2 1 60 LYS HA 3.450 . 5.000 4.955 4.955 4.955 . 0 0 "[ ]" 1
732 1 40 THR HA 1 41 GLY HA2 3.450 . 5.000 4.729 4.729 4.729 . 0 0 "[ ]" 1
733 1 20 VAL HA 1 101 ALA MB 3.950 . 6.600 4.869 4.869 4.869 . 0 0 "[ ]" 1
734 1 20 VAL HA 1 32 LEU H 2.700 . 3.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
735 1 59 TRP HE3 1 64 LEU H 2.700 . 3.500 3.254 3.254 3.254 . 0 0 "[ ]" 1
736 1 44 PRO HA 1 44 PRO QG 3.450 . 5.700 3.374 3.374 3.374 . 0 0 "[ ]" 1
737 1 10 PHE HA 1 94 LEU MD1 3.950 . 6.600 3.163 3.163 3.163 . 0 0 "[ ]" 1
738 1 9 ILE QG 1 12 GLN QG 3.450 . 6.400 4.541 4.541 4.541 . 0 0 "[ ]" 1
739 1 81 ILE MD 1 81 ILE QG 3.200 . 5.800 1.885 1.885 1.885 0.015 1 0 "[ ]" 1
740 1 9 ILE HA 1 10 PHE H 3.450 . 5.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
741 1 92 GLU HA 1 95 ILE H 3.450 . 5.000 3.407 3.407 3.407 . 0 0 "[ ]" 1
742 1 92 GLU H 1 92 GLU HA 2.700 . 3.500 2.803 2.803 2.803 . 0 0 "[ ]" 1
743 1 20 VAL HB 1 101 ALA MB 3.950 . 6.600 3.852 3.852 3.852 . 0 0 "[ ]" 1
744 1 96 ALA HA 1 99 LYS H 3.450 . 5.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
745 1 8 LYS HA 1 11 VAL H 2.700 . 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 1
746 1 58 THR HA 1 59 TRP H 3.450 . 5.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
747 1 64 LEU HA 1 65 MET H 3.450 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
748 1 36 PHE QE 1 99 LYS QB 4.700 . 12.200 3.336 3.336 3.336 . 0 0 "[ ]" 1
749 1 36 PHE QE 1 95 ILE MG 4.700 . 12.100 1.763 1.763 1.763 0.137 1 0 "[ ]" 1
750 1 97 TYR HE1 1 101 ALA MB 3.200 . 5.100 2.488 2.488 2.488 . 0 0 "[ ]" 1
751 1 57 ILE QG 1 74 TYR QE 4.700 . 12.200 3.987 3.987 3.987 . 0 0 "[ ]" 1
752 1 10 PHE HD1 1 98 LEU MD1 3.950 . 6.600 5.259 5.259 5.259 . 0 0 "[ ]" 1
753 1 10 PHE HD1 1 94 LEU MD2 3.950 . 6.600 1.704 1.704 1.704 0.196 1 0 "[ ]" 1
754 1 9 ILE H 1 94 LEU MD2 3.950 . 6.600 5.323 5.323 5.323 . 0 0 "[ ]" 1
755 1 9 ILE H 1 9 ILE MD 3.950 . 6.600 3.334 3.334 3.334 . 0 0 "[ ]" 1
756 1 9 ILE H 1 9 ILE QG 2.700 . 4.200 1.836 1.836 1.836 0.064 1 0 "[ ]" 1
757 1 10 PHE HD2 1 94 LEU MD2 3.950 . 6.600 4.711 4.711 4.711 . 0 0 "[ ]" 1
758 1 10 PHE HD2 1 98 LEU MD1 3.950 . 6.600 5.550 5.550 5.550 . 0 0 "[ ]" 1
759 1 85 ILE MG 1 91 ARG H 2.700 . 4.100 2.817 2.817 2.817 . 0 0 "[ ]" 1
760 1 101 ALA MB 1 103 ASN H 3.950 . 6.600 3.954 3.954 3.954 . 0 0 "[ ]" 1
761 1 35 LEU MD2 1 59 TRP HD1 2.700 . 4.100 3.027 3.027 3.027 . 0 0 "[ ]" 1
762 1 47 THR MG 1 74 TYR QE 4.700 . 12.100 8.579 8.579 8.579 . 0 0 "[ ]" 1
763 1 57 ILE MG 1 74 TYR QE 4.700 . 12.100 3.900 3.900 3.900 . 0 0 "[ ]" 1
764 1 36 PHE QE 1 98 LEU MD1 4.700 . 12.100 2.443 2.443 2.443 . 0 0 "[ ]" 1
765 1 97 TYR HD2 1 98 LEU MD1 3.950 . 6.600 4.671 4.671 4.671 . 0 0 "[ ]" 1
766 1 94 LEU MD2 1 97 TYR HD2 3.200 . 5.100 2.489 2.489 2.489 . 0 0 "[ ]" 1
767 1 97 TYR HD2 1 98 LEU HB2 3.450 . 5.000 2.570 2.570 2.570 . 0 0 "[ ]" 1
768 1 63 THR MG 1 74 TYR QE 4.700 . 12.100 5.825 5.825 5.825 . 0 0 "[ ]" 1
769 1 82 PHE HZ 1 85 ILE MD 3.200 . 5.100 3.142 3.142 3.142 . 0 0 "[ ]" 1
770 1 82 PHE HZ 1 85 ILE MG 3.950 . 6.600 5.404 5.404 5.404 . 0 0 "[ ]" 1
771 1 82 PHE QE 1 85 ILE MG 4.700 . 12.100 4.897 4.897 4.897 . 0 0 "[ ]" 1
772 1 82 PHE QE 1 85 ILE HB 4.700 . 11.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
773 1 13 LYS QB 1 82 PHE QE 4.700 . 12.200 2.822 2.822 2.822 . 0 0 "[ ]" 1
774 1 13 LYS QB 1 82 PHE HZ 3.450 . 5.700 1.917 1.917 1.917 . 0 0 "[ ]" 1
775 1 81 ILE HA 1 81 ILE QG 3.450 . 5.700 1.926 1.926 1.926 . 0 0 "[ ]" 1
776 1 98 LEU HA 1 101 ALA MB 3.200 . 5.100 1.882 1.882 1.882 0.018 1 0 "[ ]" 1
777 1 58 THR HA 1 58 THR MG 2.700 . 4.100 2.020 2.020 2.020 . 0 0 "[ ]" 1
778 1 57 ILE HA 1 63 THR MG 3.950 . 6.600 4.019 4.019 4.019 . 0 0 "[ ]" 1
779 1 95 ILE HA 1 95 ILE MG 3.200 . 5.100 2.729 2.729 2.729 . 0 0 "[ ]" 1
780 1 92 GLU HA 1 95 ILE MG 3.950 . 6.600 3.870 3.870 3.870 . 0 0 "[ ]" 1
781 1 54 ASN QB 1 55 LYS HA 3.450 . 5.700 4.708 4.708 4.708 . 0 0 "[ ]" 1
782 1 35 LEU HB3 1 36 PHE HB3 3.450 . 5.000 4.771 4.771 4.771 . 0 0 "[ ]" 1
783 1 16 GLN QG 1 28 THR H 2.700 . 4.200 3.943 3.943 3.943 . 0 0 "[ ]" 1
784 1 63 THR HA 1 66 GLU HB3 3.450 . 5.000 4.814 4.814 4.814 . 0 0 "[ ]" 1
785 1 37 GLY HA3 1 58 THR MG 3.200 . 5.100 4.554 4.554 4.554 . 0 0 "[ ]" 1
786 1 97 TYR HA 1 97 TYR HB2 2.200 . 2.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
787 1 46 PHE HB3 1 46 PHE HD2 2.700 . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
788 1 97 TYR HE2 1 98 LEU HB2 3.450 . 5.000 3.231 3.231 3.231 . 0 0 "[ ]" 1
789 1 81 ILE MG 1 82 PHE HA 3.950 . 6.600 2.927 2.927 2.927 . 0 0 "[ ]" 1
790 1 44 PRO HA 1 44 PRO QB 2.200 . 3.200 2.183 2.183 2.183 . 0 0 "[ ]" 1
791 1 70 ASN HA 1 71 PRO QD 3.450 . 5.700 1.863 1.863 1.863 0.037 1 0 "[ ]" 1
792 1 13 LYS HA 1 82 PHE HZ 3.450 . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
793 1 72 LYS QB 1 76 PRO HA 3.450 . 5.700 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
794 1 35 LEU HB3 1 59 TRP HB3 3.450 . 5.000 3.761 3.761 3.761 . 0 0 "[ ]" 1
795 1 6 GLY HA3 1 9 ILE MG 3.950 . 6.600 4.759 4.759 4.759 . 0 0 "[ ]" 1
796 1 35 LEU HB2 1 35 LEU MD2 3.200 . 5.100 3.074 3.074 3.074 . 0 0 "[ ]" 1
797 1 53 LYS QG 1 54 ASN QB 2.700 . 4.900 3.810 3.810 3.810 . 0 0 "[ ]" 1
798 1 51 ALA MB 1 52 ASN HB3 3.200 . 5.100 4.123 4.123 4.123 . 0 0 "[ ]" 1
799 1 10 PHE HB2 1 94 LEU MD2 3.200 . 5.100 1.841 1.841 1.841 0.059 1 0 "[ ]" 1
800 1 69 GLU QB 1 86 LYS QG 2.200 . 3.900 2.725 2.725 2.725 . 0 0 "[ ]" 1
801 1 35 LEU MD1 1 35 LEU MD2 2.700 . 4.700 2.046 2.046 2.046 . 0 0 "[ ]" 1
802 1 94 LEU MD1 1 94 LEU MD2 2.700 . 4.700 2.013 2.013 2.013 . 0 0 "[ ]" 1
803 1 35 LEU HB2 1 35 LEU MD1 3.200 . 5.100 2.794 2.794 2.794 . 0 0 "[ ]" 1
804 1 35 LEU MD1 1 59 TRP HB3 3.950 . 6.600 3.167 3.167 3.167 . 0 0 "[ ]" 1
805 1 102 THR HA 1 102 THR MG 3.200 . 5.100 2.894 2.894 2.894 . 0 0 "[ ]" 1
806 1 20 VAL MG2 1 102 THR HA 3.950 . 6.600 1.853 1.853 1.853 0.047 1 0 "[ ]" 1
807 1 7 LYS HA 1 11 VAL MG2 2.700 . 4.100 3.374 3.374 3.374 . 0 0 "[ ]" 1
808 1 48 TYR QB 1 49 THR MG 3.950 . 6.600 3.552 3.552 3.552 . 0 0 "[ ]" 1
809 1 48 TYR QB 1 53 LYS QG 2.700 . 4.200 2.013 2.013 2.013 . 0 0 "[ ]" 1
810 1 65 MET HA 1 68 LEU QB 3.450 . 5.700 3.031 3.031 3.031 . 0 0 "[ ]" 1
811 1 64 LEU HB2 1 65 MET HA 3.450 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
812 1 35 LEU MD2 1 59 TRP HB3 2.700 . 4.100 1.745 1.745 1.745 0.155 1 0 "[ ]" 1
813 1 6 GLY HA3 1 94 LEU MD2 3.950 . 6.600 4.111 4.111 4.111 . 0 0 "[ ]" 1
814 1 6 GLY HA3 1 9 ILE QG 3.450 . 5.700 3.633 3.633 3.633 . 0 0 "[ ]" 1
815 1 72 LYS QB 1 76 PRO QG 2.700 . 4.900 3.479 3.479 3.479 . 0 0 "[ ]" 1
816 1 9 ILE HB 1 9 ILE QG 2.200 . 3.200 2.197 2.197 2.197 . 0 0 "[ ]" 1
817 1 32 LEU MD1 1 35 LEU MD2 4.200 . 7.700 1.658 1.658 1.658 0.242 1 0 "[ ]" 1
818 1 9 ILE HB 1 9 ILE MD 2.700 . 4.100 3.176 3.176 3.176 . 0 0 "[ ]" 1
819 1 85 ILE HA 1 85 ILE MD 3.200 . 5.100 3.938 3.938 3.938 . 0 0 "[ ]" 1
820 1 94 LEU HA 1 94 LEU MD1 3.200 . 5.100 3.690 3.690 3.690 . 0 0 "[ ]" 1
821 1 94 LEU HA 1 98 LEU MD2 3.950 . 6.600 4.582 4.582 4.582 . 0 0 "[ ]" 1
822 1 96 ALA HA 1 96 ALA MB 2.700 . 4.100 2.115 2.115 2.115 . 0 0 "[ ]" 1
823 1 96 ALA HA 1 99 LYS QB 3.450 . 5.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
824 1 64 LEU MD2 1 64 LEU HG 2.700 . 4.100 2.150 2.150 2.150 . 0 0 "[ ]" 1
825 1 57 ILE MD 1 57 ILE QG 3.200 . 5.800 1.851 1.851 1.851 0.049 1 0 "[ ]" 1
826 1 35 LEU MD1 1 95 ILE QG 3.200 . 5.800 3.122 3.122 3.122 . 0 0 "[ ]" 1
827 1 94 LEU HB2 1 94 LEU MD1 3.950 . 6.600 2.299 2.299 2.299 . 0 0 "[ ]" 1
828 1 32 LEU HB2 1 35 LEU MD1 3.200 . 5.100 4.160 4.160 4.160 . 0 0 "[ ]" 1
829 1 35 LEU MD1 1 99 LYS HA 3.200 . 5.100 4.144 4.144 4.144 . 0 0 "[ ]" 1
830 1 35 LEU MD2 1 95 ILE QG 3.200 . 5.800 4.226 4.226 4.226 . 0 0 "[ ]" 1
831 1 9 ILE HB 1 9 ILE MG 3.200 . 5.100 2.105 2.105 2.105 . 0 0 "[ ]" 1
832 1 9 ILE MG 1 85 ILE MD 2.700 . 4.700 1.742 1.742 1.742 0.158 1 0 "[ ]" 1
833 1 98 LEU MD1 1 98 LEU MD2 2.700 . 4.700 2.071 2.071 2.071 . 0 0 "[ ]" 1
834 1 9 ILE MD 1 85 ILE MD 3.200 . 5.700 3.856 3.856 3.856 . 0 0 "[ ]" 1
835 1 1 GLY HA3 1 2 ASP QB 3.450 . 5.700 4.224 4.224 4.224 . 0 0 "[ ]" 1
836 1 91 ARG HB2 1 92 GLU HA 3.450 . 5.000 4.086 4.086 4.086 . 0 0 "[ ]" 1
837 1 65 MET HA 1 91 ARG HB2 3.450 . 5.000 4.117 4.117 4.117 . 0 0 "[ ]" 1
838 1 9 ILE HA 1 12 GLN HB3 3.450 . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
839 1 20 VAL HA 1 20 VAL MG2 3.200 . 5.100 2.476 2.476 2.476 . 0 0 "[ ]" 1
840 1 20 VAL HA 1 102 THR MG 3.950 . 6.600 4.138 4.138 4.138 . 0 0 "[ ]" 1
841 1 24 GLY HA2 1 102 THR MG 3.950 . 6.600 5.460 5.460 5.460 . 0 0 "[ ]" 1
842 1 96 ALA HA 1 99 LYS HA 3.450 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
843 1 25 LYS HA 1 25 LYS QB 2.200 . 3.200 2.416 2.416 2.416 . 0 0 "[ ]" 1
844 1 13 LYS QB 1 85 ILE MD 3.950 . 7.300 1.757 1.757 1.757 0.143 1 0 "[ ]" 1
845 1 32 LEU HA 1 35 LEU MD1 3.950 . 6.600 4.727 4.727 4.727 . 0 0 "[ ]" 1
846 1 17 CYS HA 1 28 THR MG 3.950 . 6.600 2.423 2.423 2.423 . 0 0 "[ ]" 1
847 1 36 PHE HA 1 36 PHE QE 4.700 . 11.000 5.098 5.098 5.098 . 0 0 "[ ]" 1
848 1 71 PRO QG 1 82 PHE QE 4.700 . 12.200 5.723 5.723 5.723 . 0 0 "[ ]" 1
849 1 82 PHE HZ 1 85 ILE HA 3.450 . 5.000 5.086 5.086 5.086 0.086 1 0 "[ ]" 1
850 1 72 LYS HA 1 72 LYS QB 2.700 . 4.200 2.459 2.459 2.459 . 0 0 "[ ]" 1
851 1 97 TYR HE2 1 98 LEU HA 3.450 . 5.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
852 1 10 PHE HA 1 97 TYR HE2 3.450 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1
853 1 72 LYS QG 1 81 ILE HA 3.450 . 5.700 4.226 4.226 4.226 . 0 0 "[ ]" 1
854 1 103 ASN HA 1 104 GLU HA 3.450 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
855 1 43 ALA HA 1 44 PRO HA 3.450 . 5.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
856 1 82 PHE HA 1 83 ALA HA 3.450 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
857 1 58 THR HA 1 58 THR HB 2.700 . 3.500 3.000 3.000 3.000 . 0 0 "[ ]" 1
858 1 6 GLY HA3 1 97 TYR HA 3.450 . 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
859 1 67 TYR HA 1 67 TYR HB2 2.700 . 3.500 2.544 2.544 2.544 . 0 0 "[ ]" 1
860 1 34 GLY QA 1 42 GLN HA 3.450 . 5.700 3.845 3.845 3.845 . 0 0 "[ ]" 1
861 1 44 PRO HA 1 44 PRO QD 3.450 . 5.700 3.223 3.223 3.223 . 0 0 "[ ]" 1
862 1 70 ASN HA 1 71 PRO QG 3.450 . 5.700 3.787 3.787 3.787 . 0 0 "[ ]" 1
863 1 35 LEU HB2 1 59 TRP HB3 3.450 . 5.000 4.790 4.790 4.790 . 0 0 "[ ]" 1
864 1 92 GLU HA 1 92 GLU QB 3.450 . 5.700 2.545 2.545 2.545 . 0 0 "[ ]" 1
865 1 76 PRO HB2 1 76 PRO QD 3.450 . 5.700 3.352 3.352 3.352 . 0 0 "[ ]" 1
866 1 72 LYS QB 1 78 THR MG 3.200 . 5.800 3.335 3.335 3.335 . 0 0 "[ ]" 1
867 1 85 ILE HA 1 85 ILE MG 2.700 . 4.100 2.159 2.159 2.159 . 0 0 "[ ]" 1
868 1 85 ILE HA 1 85 ILE QG 2.700 . 4.200 2.618 2.618 2.618 . 0 0 "[ ]" 1
869 1 64 LEU HA 1 95 ILE MD 3.200 . 5.100 3.821 3.821 3.821 . 0 0 "[ ]" 1
870 1 9 ILE MG 1 94 LEU HA 3.950 . 6.600 3.666 3.666 3.666 . 0 0 "[ ]" 1
871 1 95 ILE H 1 95 ILE MG 3.950 . 6.600 3.641 3.641 3.641 . 0 0 "[ ]" 1
872 1 13 LYS H 1 13 LYS QB 2.700 . 4.200 2.326 2.326 2.326 . 0 0 "[ ]" 1
873 1 94 LEU H 1 94 LEU HG 3.450 . 5.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
874 1 94 LEU H 1 94 LEU MD2 3.950 . 6.600 4.158 4.158 4.158 . 0 0 "[ ]" 1
875 1 10 PHE H 1 94 LEU MD2 3.200 . 5.100 3.661 3.661 3.661 . 0 0 "[ ]" 1
876 1 9 ILE H 1 9 ILE MG 3.200 . 5.100 3.779 3.779 3.779 . 0 0 "[ ]" 1
877 1 36 PHE HZ 1 98 LEU MD1 3.200 . 5.100 3.984 3.984 3.984 . 0 0 "[ ]" 1
878 1 35 LEU MD1 1 36 PHE HZ 3.200 . 5.100 2.067 2.067 2.067 . 0 0 "[ ]" 1
879 1 35 LEU MD1 1 36 PHE QE 4.700 . 12.100 2.100 2.100 2.100 . 0 0 "[ ]" 1
880 1 35 LEU MD1 1 36 PHE QD 4.700 . 12.100 3.346 3.346 3.346 . 0 0 "[ ]" 1
881 1 35 LEU MD2 1 36 PHE QD 4.700 . 12.100 4.430 4.430 4.430 . 0 0 "[ ]" 1
882 1 35 LEU H 1 35 LEU HB2 3.450 . 5.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
883 1 35 LEU H 1 59 TRP HB3 3.450 . 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
884 1 43 ALA MB 1 46 PHE H 3.950 . 6.600 3.484 3.484 3.484 . 0 0 "[ ]" 1
885 1 66 GLU HB3 1 74 TYR QE 4.700 . 11.500 7.915 7.915 7.915 . 0 0 "[ ]" 1
886 1 57 ILE HB 1 74 TYR QE 4.700 . 11.500 5.641 5.641 5.641 . 0 0 "[ ]" 1
887 1 67 TYR HB3 1 74 TYR QE 4.700 . 11.500 6.298 6.298 6.298 . 0 0 "[ ]" 1
888 1 36 PHE QD 1 59 TRP HB3 4.700 . 11.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
889 1 90 GLU HA 1 91 ARG H 3.450 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
890 1 67 TYR HA 1 74 TYR QE 4.700 . 11.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
891 1 47 THR H 1 48 TYR HA 3.450 . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
892 1 88 LYS HA 1 91 ARG H 2.700 . 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 1
893 1 36 PHE QE 1 59 TRP HB3 4.700 . 11.000 4.547 4.547 4.547 . 0 0 "[ ]" 1
894 1 26 HIS QB 1 26 HIS HD2 2.700 . 4.200 2.766 2.766 2.766 . 0 0 "[ ]" 1
895 1 82 PHE QE 1 85 ILE HA 4.700 . 11.500 4.790 4.790 4.790 . 0 0 "[ ]" 1
896 1 59 TRP HE3 1 63 THR HA 3.450 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
897 1 97 TYR HD1 1 98 LEU HA 3.450 . 5.000 4.691 4.691 4.691 . 0 0 "[ ]" 1
898 1 10 PHE H 1 97 TYR HE2 3.450 . 5.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
899 1 63 THR HA 1 64 LEU H 3.450 . 5.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
900 1 66 GLU HA 1 67 TYR H 3.450 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
901 1 75 ILE H 1 78 THR MG 3.950 . 6.600 3.573 3.573 3.573 . 0 0 "[ ]" 1
902 1 97 TYR HA 1 98 LEU H 3.450 . 5.000 3.524 3.524 3.524 . 0 0 "[ ]" 1
903 1 97 TYR HA 1 99 LYS H 3.450 . 5.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
904 1 11 VAL H 1 11 VAL HB 2.700 . 3.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
905 1 82 PHE HA 1 83 ALA H 3.450 . 5.000 2.205 2.205 2.205 . 0 0 "[ ]" 1
906 1 63 THR HA 1 67 TYR H 3.450 . 5.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
907 1 93 ASP H 1 93 ASP HA 2.700 . 3.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
908 1 4 GLU HA 1 7 LYS H 3.450 . 5.000 3.388 3.388 3.388 . 0 0 "[ ]" 1
909 1 93 ASP HA 1 94 LEU H 3.450 . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
910 1 42 GLN H 1 44 PRO QD 3.450 . 5.700 4.331 4.331 4.331 . 0 0 "[ ]" 1
911 1 6 GLY HA3 1 97 TYR H 3.450 . 5.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
912 1 9 ILE HA 1 12 GLN H 3.450 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
913 1 92 GLU HA 1 96 ALA H 3.450 . 5.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
914 1 40 THR H 1 59 TRP HE1 3.450 . 5.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
915 1 74 TYR H 1 75 ILE H 3.450 . 5.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
916 1 10 PHE HD1 1 11 VAL H 4.700 . 7.500 5.319 5.319 5.319 . 0 0 "[ ]" 1
917 1 60 LYS H 1 64 LEU H 2.700 . 3.500 3.579 3.579 3.579 0.079 1 0 "[ ]" 1
918 1 13 LYS H 1 14 CYS H 2.200 . 2.500 2.459 2.459 2.459 . 0 0 "[ ]" 1
919 1 36 PHE QE 1 99 LYS H 4.700 . 11.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
920 1 10 PHE HZ 1 19 THR HA 2.700 . 3.500 3.624 3.624 3.624 0.124 1 0 "[ ]" 1
921 1 59 TRP HH2 1 67 TYR H 3.450 . 5.000 5.146 5.146 5.146 0.146 1 0 "[ ]" 1
922 1 26 HIS HE1 1 43 ALA HA 3.450 . 5.000 5.075 5.075 5.075 0.075 1 0 "[ ]" 1
923 1 59 TRP HA 1 59 TRP HE3 2.700 . 3.500 1.830 1.830 1.830 0.070 1 0 "[ ]" 1
924 1 63 THR HA 1 74 TYR QE 4.700 . 11.500 7.180 7.180 7.180 . 0 0 "[ ]" 1
925 1 82 PHE HA 1 82 PHE QE 4.700 . 11.500 4.858 4.858 4.858 . 0 0 "[ ]" 1
926 1 71 PRO QD 1 82 PHE QE 4.700 . 12.200 5.402 5.402 5.402 . 0 0 "[ ]" 1
927 1 19 THR HA 1 20 VAL HA 3.450 . 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
928 1 48 TYR HA 1 52 ASN HB3 3.450 . 5.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
929 1 81 ILE HA 1 81 ILE MD 2.700 . 4.100 3.475 3.475 3.475 . 0 0 "[ ]" 1
930 1 49 THR MG 1 78 THR HB 3.200 . 5.100 3.510 3.510 3.510 . 0 0 "[ ]" 1
931 1 72 LYS HA 1 72 LYS QG 2.700 . 4.200 2.231 2.231 2.231 . 0 0 "[ ]" 1
932 1 20 VAL HA 1 20 VAL HB 2.700 . 3.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
933 1 26 HIS HA 1 30 PRO HA 2.700 . 3.500 2.421 2.421 2.421 . 0 0 "[ ]" 1
934 1 70 ASN HA 1 70 ASN QB 3.450 . 5.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
935 1 30 PRO HA 1 46 PHE HD2 2.700 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
936 1 57 ILE HA 1 57 ILE MG 2.700 . 4.100 2.450 2.450 2.450 . 0 0 "[ ]" 1
937 1 44 PRO HA 1 46 PHE HB2 3.450 . 5.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
938 1 25 LYS QB 1 27 LYS HA 2.700 . 4.200 3.953 3.953 3.953 . 0 0 "[ ]" 1
939 1 2 ASP HA 1 2 ASP QB 2.700 . 4.200 2.509 2.509 2.509 . 0 0 "[ ]" 1
940 1 92 GLU HA 1 95 ILE MD 3.950 . 6.600 2.676 2.676 2.676 . 0 0 "[ ]" 1
941 1 6 GLY HA2 1 9 ILE QG 3.450 . 5.700 2.188 2.188 2.188 . 0 0 "[ ]" 1
942 1 9 ILE HA 1 9 ILE QG 2.950 . 4.700 2.905 2.905 2.905 . 0 0 "[ ]" 1
943 1 20 VAL MG1 1 32 LEU HB2 3.200 . 5.100 3.890 3.890 3.890 . 0 0 "[ ]" 1
944 1 59 TRP HB3 1 64 LEU HB3 3.450 . 5.000 4.892 4.892 4.892 . 0 0 "[ ]" 1
945 1 9 ILE HA 1 9 ILE HB 2.700 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
946 1 9 ILE HB 1 10 PHE HA 2.950 . 4.000 4.107 4.107 4.107 0.107 1 0 "[ ]" 1
947 1 61 GLU HB2 1 65 MET HA 3.450 . 5.000 5.112 5.112 5.112 0.112 1 0 "[ ]" 1
948 1 2 ASP QB 1 93 ASP QB 2.200 . 3.900 2.696 2.696 2.696 . 0 0 "[ ]" 1
949 1 9 ILE HA 1 12 GLN QG 3.450 . 5.700 2.138 2.138 2.138 . 0 0 "[ ]" 1
950 1 64 LEU MD2 1 67 TYR HB3 3.200 . 5.100 2.986 2.986 2.986 . 0 0 "[ ]" 1
951 1 81 ILE HB 1 81 ILE MD 3.950 . 6.600 2.650 2.650 2.650 . 0 0 "[ ]" 1
952 1 3 VAL HB 1 3 VAL MG2 2.700 . 4.100 2.148 2.148 2.148 . 0 0 "[ ]" 1
953 1 3 VAL HB 1 3 VAL MG1 2.700 . 4.100 2.150 2.150 2.150 . 0 0 "[ ]" 1
954 1 20 VAL HB 1 20 VAL MG2 2.700 . 4.100 2.112 2.112 2.112 . 0 0 "[ ]" 1
955 1 81 ILE HB 1 81 ILE MG 2.700 . 4.100 2.158 2.158 2.158 . 0 0 "[ ]" 1
956 1 64 LEU HB3 1 64 LEU MD2 3.950 . 6.600 2.317 2.317 2.317 . 0 0 "[ ]" 1
957 1 68 LEU MD1 1 85 ILE HB 3.950 . 6.600 2.829 2.829 2.829 . 0 0 "[ ]" 1
958 1 64 LEU MD2 1 95 ILE MG 4.200 . 7.700 4.891 4.891 4.891 . 0 0 "[ ]" 1
959 1 9 ILE MG 1 94 LEU MD1 2.700 . 4.700 2.448 2.448 2.448 . 0 0 "[ ]" 1
960 1 35 LEU MD1 1 98 LEU MD2 3.200 . 5.700 3.259 3.259 3.259 . 0 0 "[ ]" 1
961 1 35 LEU MD1 1 64 LEU MD2 3.200 . 5.700 2.874 2.874 2.874 . 0 0 "[ ]" 1
962 1 57 ILE MD 1 57 ILE MG 2.700 . 4.700 1.537 1.537 1.537 0.363 1 0 "[ ]" 1
963 1 94 LEU MD2 1 98 LEU MD2 2.700 . 4.700 2.526 2.526 2.526 . 0 0 "[ ]" 1
964 1 85 ILE MD 1 85 ILE MG 2.700 . 4.700 2.574 2.574 2.574 . 0 0 "[ ]" 1
965 1 68 LEU HG 1 85 ILE MD 2.700 . 4.100 3.974 3.974 3.974 . 0 0 "[ ]" 1
966 1 94 LEU MD1 1 95 ILE MD 4.200 . 7.700 4.354 4.354 4.354 . 0 0 "[ ]" 1
967 1 35 LEU MD2 1 64 LEU MD2 3.200 . 5.700 1.785 1.785 1.785 0.115 1 0 "[ ]" 1
968 1 57 ILE MD 1 63 THR MG 2.700 . 4.700 3.175 3.175 3.175 . 0 0 "[ ]" 1
969 1 98 LEU MD2 1 98 LEU HG 3.950 . 6.600 2.141 2.141 2.141 . 0 0 "[ ]" 1
970 1 85 ILE MD 1 91 ARG HB3 3.950 . 6.600 5.587 5.587 5.587 . 0 0 "[ ]" 1
971 1 68 LEU MD1 1 94 LEU MD1 2.700 . 4.700 1.799 1.799 1.799 0.101 1 0 "[ ]" 1
972 1 64 LEU MD1 1 64 LEU MD2 2.700 . 4.700 2.064 2.064 2.064 . 0 0 "[ ]" 1
973 1 68 LEU MD1 1 95 ILE MD 3.200 . 5.700 2.680 2.680 2.680 . 0 0 "[ ]" 1
974 1 68 LEU MD1 1 91 ARG HA 3.950 . 6.600 1.751 1.751 1.751 0.149 1 0 "[ ]" 1
975 1 38 ARG HA 1 58 THR MG 3.950 . 6.600 1.769 1.769 1.769 0.131 1 0 "[ ]" 1
976 1 98 LEU MD2 1 102 THR MG 4.200 . 7.700 5.029 5.029 5.029 . 0 0 "[ ]" 1
977 1 20 VAL HB 1 102 THR HA 3.450 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
978 1 49 THR HB 1 78 THR HB 3.450 . 5.000 4.703 4.703 4.703 . 0 0 "[ ]" 1
979 1 58 THR HA 1 59 TRP HE1 3.450 . 5.000 5.075 5.075 5.075 0.075 1 0 "[ ]" 1
980 1 40 THR MG 1 59 TRP HD1 3.450 . 5.600 3.751 3.751 3.751 . 0 0 "[ ]" 1
981 1 64 LEU MD2 1 68 LEU HG 3.950 . 6.600 4.740 4.740 4.740 . 0 0 "[ ]" 1
982 1 94 LEU MD2 1 97 TYR HE2 4.700 . 8.100 2.620 2.620 2.620 . 0 0 "[ ]" 1
983 1 94 LEU HG 1 97 TYR HD2 4.700 . 7.500 4.209 4.209 4.209 . 0 0 "[ ]" 1
984 1 55 LYS QB 1 57 ILE MG 3.950 . 7.300 3.623 3.623 3.623 . 0 0 "[ ]" 1
985 1 40 THR HB 1 41 GLY HA2 3.450 . 5.000 4.878 4.878 4.878 . 0 0 "[ ]" 1
986 1 90 GLU HA 1 92 GLU H 3.450 . 5.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
987 1 59 TRP HE3 1 60 LYS H 3.450 . 5.000 4.179 4.179 4.179 . 0 0 "[ ]" 1
988 1 97 TYR H 1 97 TYR HD2 4.700 . 7.500 4.020 4.020 4.020 . 0 0 "[ ]" 1
989 1 19 THR H 1 31 ASN HA 3.450 . 5.000 1.805 1.805 1.805 0.095 1 0 "[ ]" 1
990 1 72 LYS QG 1 76 PRO HA 3.450 . 5.700 1.877 1.877 1.877 0.023 1 0 "[ ]" 1
991 1 42 GLN H 1 42 GLN QG 3.450 . 5.700 1.757 1.757 1.757 0.143 1 0 "[ ]" 1
992 1 59 TRP HE3 1 63 THR HB 3.450 . 5.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
993 1 36 PHE QE 1 98 LEU HB3 4.450 . 11.000 1.848 1.848 1.848 0.052 1 0 "[ ]" 1
994 1 78 THR HA 1 79 LYS H 3.450 . 5.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
995 1 59 TRP HH2 1 74 TYR QE 4.450 . 11.000 2.976 2.976 2.976 . 0 0 "[ ]" 1
996 1 66 GLU HB3 1 66 GLU QG 3.450 . 5.700 2.457 2.457 2.457 . 0 0 "[ ]" 1
997 1 40 THR MG 1 57 ILE QG 3.950 . 7.300 1.519 1.519 1.519 0.381 1 0 "[ ]" 1
998 1 33 HIS HA 1 102 THR MG 3.950 . 6.600 2.205 2.205 2.205 . 0 0 "[ ]" 1
999 1 6 GLY HA2 1 94 LEU HA 3.450 . 5.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
1000 1 72 LYS QB 1 76 PRO HB2 3.450 . 5.700 3.699 3.699 3.699 . 0 0 "[ ]" 1
1001 1 73 LYS HA 1 73 LYS QB 3.450 . 5.700 2.165 2.165 2.165 . 0 0 "[ ]" 1
1002 1 16 GLN HA 1 16 GLN QB 3.450 . 5.700 2.372 2.372 2.372 . 0 0 "[ ]" 1
1003 1 16 GLN HA 1 16 GLN QG 3.450 . 5.700 2.287 2.287 2.287 . 0 0 "[ ]" 1
1004 1 25 LYS HA 1 26 HIS H 3.450 . 5.000 2.542 2.542 2.542 . 0 0 "[ ]" 1
1005 1 85 ILE HB 1 85 ILE QG 3.450 . 5.700 2.518 2.518 2.518 . 0 0 "[ ]" 1
1006 1 73 LYS H 1 73 LYS QB 3.450 . 5.700 2.069 2.069 2.069 . 0 0 "[ ]" 1
1007 1 85 ILE HB 1 85 ILE MG 3.950 . 6.600 2.105 2.105 2.105 . 0 0 "[ ]" 1
1008 1 6 GLY HA3 1 9 ILE HB 3.450 . 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
1009 1 86 LYS HA 1 86 LYS QG 3.450 . 5.700 2.527 2.527 2.527 . 0 0 "[ ]" 1
1010 1 35 LEU HA 1 35 LEU MD2 3.950 . 6.600 1.728 1.728 1.728 0.172 1 0 "[ ]" 1
1011 1 59 TRP HZ3 1 67 TYR HB2 3.450 . 5.000 2.143 2.143 2.143 . 0 0 "[ ]" 1
1012 1 59 TRP HZ3 1 64 LEU HA 3.450 . 5.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
1013 1 16 GLN QB 1 16 GLN QG 3.450 . 6.400 2.112 2.112 2.112 . 0 0 "[ ]" 1
1014 1 35 LEU MD2 1 59 TRP HB2 3.950 . 6.600 2.810 2.810 2.810 . 0 0 "[ ]" 1
1015 1 95 ILE QG 1 95 ILE MG 3.950 . 7.300 1.919 1.919 1.919 . 0 0 "[ ]" 1
1016 1 6 GLY HA3 1 94 LEU HA 3.450 . 5.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
1017 1 48 TYR QB 1 53 LYS HB2 3.450 . 5.000 2.470 2.470 2.470 . 0 0 "[ ]" 1
1018 1 85 ILE H 1 85 ILE HB 3.450 . 5.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
1019 1 35 LEU MD1 1 98 LEU MD1 4.450 . 8.200 2.606 2.606 2.606 . 0 0 "[ ]" 1
1020 1 40 THR MG 1 57 ILE H 3.950 . 6.600 1.795 1.795 1.795 0.105 1 0 "[ ]" 1
1021 1 94 LEU HB2 1 94 LEU MD2 3.950 . 6.600 3.176 3.176 3.176 . 0 0 "[ ]" 1
1022 1 94 LEU HB3 1 94 LEU MD1 3.950 . 6.600 2.404 2.404 2.404 . 0 0 "[ ]" 1
1023 1 100 LYS H 1 100 LYS QB 3.450 . 5.700 2.194 2.194 2.194 . 0 0 "[ ]" 1
1024 1 17 CYS HA 1 28 THR HB 3.450 . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
1025 1 24 GLY HA3 1 31 ASN HB2 3.450 . 5.000 2.993 2.993 2.993 . 0 0 "[ ]" 1
1026 1 64 LEU HB2 1 64 LEU MD1 3.950 . 6.600 2.364 2.364 2.364 . 0 0 "[ ]" 1
1027 1 5 LYS QB 1 93 ASP QB 3.450 . 6.400 1.843 1.843 1.843 0.057 1 0 "[ ]" 1
1028 1 12 GLN HB2 1 12 GLN QG 3.450 . 5.700 2.377 2.377 2.377 . 0 0 "[ ]" 1
1029 1 40 THR HB 1 59 TRP HZ2 3.450 . 5.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
1030 1 57 ILE HB 1 63 THR MG 3.950 . 6.600 2.418 2.418 2.418 . 0 0 "[ ]" 1
1031 1 100 LYS HA 1 103 ASN QB 3.450 . 5.700 1.846 1.846 1.846 0.054 1 0 "[ ]" 1
1032 1 59 TRP HH2 1 74 TYR QD 4.450 . 11.000 2.537 2.537 2.537 . 0 0 "[ ]" 1
1033 1 81 ILE HB 1 81 ILE QG 3.450 . 5.700 2.245 2.245 2.245 . 0 0 "[ ]" 1
1034 1 59 TRP HZ3 1 67 TYR HB3 3.450 . 5.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
1035 1 72 LYS HA 1 78 THR MG 3.950 . 6.600 1.805 1.805 1.805 0.095 1 0 "[ ]" 1
1036 1 75 ILE MG 1 78 THR HB 3.950 . 6.600 2.729 2.729 2.729 . 0 0 "[ ]" 1
1037 1 24 GLY HA2 1 31 ASN HB3 3.450 . 5.000 2.149 2.149 2.149 . 0 0 "[ ]" 1
1038 1 9 ILE MD 1 9 ILE MG 4.450 . 8.200 1.795 1.795 1.795 0.105 1 0 "[ ]" 1
1039 1 36 PHE HA 1 60 LYS HA 3.450 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
1040 1 3 VAL HB 1 4 GLU H 3.450 . 5.000 2.082 2.082 2.082 . 0 0 "[ ]" 1
1041 1 59 TRP HZ3 1 63 THR HB 3.450 . 5.000 3.244 3.244 3.244 . 0 0 "[ ]" 1
1042 1 95 ILE HA 1 98 LEU HB2 3.450 . 5.000 3.236 3.236 3.236 . 0 0 "[ ]" 1
1043 1 26 HIS HA 1 31 ASN HB3 3.450 . 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
1044 1 26 HIS QB 1 46 PHE HD1 4.450 . 7.700 3.082 3.082 3.082 . 0 0 "[ ]" 1
1045 1 46 PHE HA 1 47 THR H 3.450 . 5.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
1046 1 26 HIS QB 1 46 PHE HA 3.450 . 5.700 3.617 3.617 3.617 . 0 0 "[ ]" 1
1047 1 75 ILE HB 1 78 THR HB 3.450 . 5.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
1048 1 5 LYS H 1 5 LYS QB 3.450 . 5.700 2.143 2.143 2.143 . 0 0 "[ ]" 1
1049 1 57 ILE MD 1 74 TYR QE 4.950 . 12.600 2.063 2.063 2.063 . 0 0 "[ ]" 1
1050 1 73 LYS HA 1 73 LYS QG 3.450 . 5.700 3.056 3.056 3.056 . 0 0 "[ ]" 1
1051 1 68 LEU HA 1 68 LEU HG 3.450 . 5.000 2.491 2.491 2.491 . 0 0 "[ ]" 1
1052 1 59 TRP HZ3 1 63 THR MG 3.950 . 6.600 3.812 3.812 3.812 . 0 0 "[ ]" 1
1053 1 10 PHE HD2 1 11 VAL HA 4.450 . 7.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
1054 1 8 LYS HA 1 12 GLN QG 3.450 . 5.700 4.464 4.464 4.464 . 0 0 "[ ]" 1
1055 1 36 PHE QE 1 64 LEU MD1 4.950 . 12.600 1.774 1.774 1.774 0.126 1 0 "[ ]" 1
1056 1 6 GLY HA2 1 97 TYR HD2 4.450 . 7.000 4.346 4.346 4.346 . 0 0 "[ ]" 1
1057 1 9 ILE MG 1 94 LEU HG 3.950 . 6.600 2.170 2.170 2.170 . 0 0 "[ ]" 1
1058 1 59 TRP HZ2 1 67 TYR HD2 4.450 . 7.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
1059 1 46 PHE HE1 1 47 THR MG 4.950 . 8.600 2.898 2.898 2.898 . 0 0 "[ ]" 1
1060 1 59 TRP HE3 1 63 THR MG 3.950 . 6.600 3.813 3.813 3.813 . 0 0 "[ ]" 1
1061 1 50 ASP HA 1 53 LYS HB2 3.450 . 5.000 3.385 3.385 3.385 . 0 0 "[ ]" 1
1062 1 44 PRO QB 1 44 PRO QD 3.450 . 6.400 3.031 3.031 3.031 . 0 0 "[ ]" 1
1063 1 82 PHE QD 1 83 ALA HA 4.450 . 11.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
1064 1 57 ILE QG 1 57 ILE MG 3.950 . 7.300 2.457 2.457 2.457 . 0 0 "[ ]" 1
1065 1 59 TRP HH2 1 67 TYR HB3 3.450 . 5.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
1066 1 35 LEU MD1 1 98 LEU HB2 3.950 . 6.600 2.985 2.985 2.985 . 0 0 "[ ]" 1
1067 1 13 LYS HA 1 82 PHE QE 4.450 . 11.000 3.350 3.350 3.350 . 0 0 "[ ]" 1
1068 1 97 TYR HD1 1 101 ALA MB 4.950 . 8.600 2.958 2.958 2.958 . 0 0 "[ ]" 1
1069 1 59 TRP HZ3 1 74 TYR QD 4.450 . 11.000 4.017 4.017 4.017 . 0 0 "[ ]" 1
1070 1 70 ASN QB 1 73 LYS HA 3.450 . 5.700 3.995 3.995 3.995 . 0 0 "[ ]" 1
1071 1 6 GLY HA2 1 9 ILE HB 3.450 . 5.000 2.093 2.093 2.093 . 0 0 "[ ]" 1
1072 1 59 TRP HZ3 1 64 LEU HG 3.450 . 5.000 4.305 4.305 4.305 . 0 0 "[ ]" 1
1073 1 40 THR MG 1 57 ILE MD 4.450 . 8.200 2.944 2.944 2.944 . 0 0 "[ ]" 1
1074 1 35 LEU HG 1 98 LEU MD1 3.950 . 6.600 3.161 3.161 3.161 . 0 0 "[ ]" 1
1075 1 36 PHE QE 1 61 GLU HA 4.450 . 11.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
1076 1 26 HIS QB 1 30 PRO HA 3.450 . 5.700 3.214 3.214 3.214 . 0 0 "[ ]" 1
1077 1 64 LEU MD1 1 95 ILE HA 3.950 . 6.600 2.862 2.862 2.862 . 0 0 "[ ]" 1
1078 1 57 ILE H 1 57 ILE MG 3.950 . 6.600 2.356 2.356 2.356 . 0 0 "[ ]" 1
1079 1 52 ASN HB3 1 78 THR HB 3.450 . 5.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
1080 1 95 ILE MD 1 95 ILE MG 4.450 . 8.200 2.808 2.808 2.808 . 0 0 "[ ]" 1
1081 1 68 LEU HG 1 94 LEU HB2 3.450 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
1082 1 44 PRO QB 1 48 TYR QB 3.450 . 5.700 3.464 3.464 3.464 . 0 0 "[ ]" 1
1083 1 59 TRP HE3 1 64 LEU MD1 3.950 . 6.600 3.632 3.632 3.632 . 0 0 "[ ]" 1
1084 1 3 VAL HA 1 97 TYR HA 3.450 . 5.000 2.003 2.003 2.003 . 0 0 "[ ]" 1
1085 1 30 PRO QB 1 46 PHE HB2 3.450 . 5.700 4.528 4.528 4.528 . 0 0 "[ ]" 1
1086 1 71 PRO QG 1 72 LYS QB 3.450 . 6.400 4.527 4.527 4.527 . 0 0 "[ ]" 1
1087 1 6 GLY HA3 1 94 LEU HB3 3.450 . 5.000 5.246 5.246 5.246 0.246 1 0 "[ ]" 1
1088 1 72 LYS HA 1 76 PRO HB2 3.450 . 5.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
1089 1 40 THR HB 1 57 ILE MD 3.950 . 6.600 3.235 3.235 3.235 . 0 0 "[ ]" 1
1090 1 57 ILE MD 1 59 TRP HZ2 3.950 . 6.600 2.318 2.318 2.318 . 0 0 "[ ]" 1
1091 1 59 TRP HZ3 1 74 TYR QE 4.450 . 11.000 5.125 5.125 5.125 . 0 0 "[ ]" 1
1092 1 1 GLY HA3 1 2 ASP HA 3.450 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
1093 1 71 PRO QD 1 86 LYS QB 3.450 . 6.400 4.832 4.832 4.832 . 0 0 "[ ]" 1
1094 1 72 LYS QG 1 76 PRO HB3 3.450 . 5.700 3.462 3.462 3.462 . 0 0 "[ ]" 1
1095 1 49 THR MG 1 79 LYS H 3.950 . 6.600 3.945 3.945 3.945 . 0 0 "[ ]" 1
1096 1 2 ASP HA 1 3 VAL HA 3.450 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
1097 1 57 ILE HA 1 58 THR HA 3.450 . 5.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
1098 1 20 VAL H 1 24 GLY HA2 3.450 . 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
1099 1 64 LEU HB2 1 95 ILE HB 3.450 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
1100 1 59 TRP HB3 1 64 LEU MD1 3.950 . 6.600 1.991 1.991 1.991 . 0 0 "[ ]" 1
1101 1 3 VAL HA 1 4 GLU HA 3.450 . 5.000 4.746 4.746 4.746 . 0 0 "[ ]" 1
1102 1 85 ILE MD 1 94 LEU HB3 3.950 . 6.600 4.275 4.275 4.275 . 0 0 "[ ]" 1
1103 1 98 LEU H 1 98 LEU HG 3.450 . 5.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
1104 1 10 PHE HA 1 94 LEU HG 3.450 . 5.000 3.200 3.200 3.200 . 0 0 "[ ]" 1
1105 1 9 ILE QG 1 94 LEU MD1 3.950 . 7.300 4.863 4.863 4.863 . 0 0 "[ ]" 1
1106 1 49 THR MG 1 52 ASN HB2 3.950 . 6.600 4.037 4.037 4.037 . 0 0 "[ ]" 1
1107 1 11 VAL HA 1 12 GLN HA 3.450 . 5.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
1108 1 49 THR MG 1 52 ASN HB3 3.950 . 6.600 3.177 3.177 3.177 . 0 0 "[ ]" 1
1109 1 62 GLU QB 1 63 THR HA 3.450 . 5.700 4.038 4.038 4.038 . 0 0 "[ ]" 1
1110 1 35 LEU HG 1 36 PHE QE 4.450 . 11.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
1111 1 64 LEU MD1 1 95 ILE MG 4.450 . 8.200 2.701 2.701 2.701 . 0 0 "[ ]" 1
1112 1 11 VAL HA 1 12 GLN QG 3.450 . 5.700 5.115 5.115 5.115 . 0 0 "[ ]" 1
1113 1 22 LYS HA 1 23 GLY QA 3.450 . 5.700 4.245 4.245 4.245 . 0 0 "[ ]" 1
1114 1 16 GLN QG 1 17 CYS HA 3.450 . 5.700 3.904 3.904 3.904 . 0 0 "[ ]" 1
1115 1 62 GLU QG 1 63 THR H 3.450 . 5.700 3.911 3.911 3.911 . 0 0 "[ ]" 1
1116 1 10 PHE HA 1 10 PHE HE1 4.450 . 7.000 4.646 4.646 4.646 . 0 0 "[ ]" 1
1117 1 97 TYR HA 1 98 LEU HA 3.450 . 5.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
1118 1 9 ILE HB 1 10 PHE HB2 3.450 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
1119 1 6 GLY HA2 1 94 LEU HB3 3.450 . 5.000 5.405 5.405 5.405 0.405 1 0 "[ ]" 1
1120 1 10 PHE HD1 1 94 LEU MD1 4.950 . 8.600 3.235 3.235 3.235 . 0 0 "[ ]" 1
1121 1 16 GLN HA 1 28 THR HB 3.450 . 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
1122 1 10 PHE HB3 1 94 LEU MD1 3.950 . 6.600 5.379 5.379 5.379 . 0 0 "[ ]" 1
1123 1 71 PRO HA 1 73 LYS QB 3.450 . 5.700 4.691 4.691 4.691 . 0 0 "[ ]" 1
1124 1 10 PHE HB3 1 94 LEU HA 3.450 . 5.000 5.022 5.022 5.022 0.022 1 0 "[ ]" 1
1125 1 68 LEU MD1 1 85 ILE QG 3.950 . 7.300 4.317 4.317 4.317 . 0 0 "[ ]" 1
1126 1 40 THR MG 1 63 THR MG 4.450 . 8.200 3.943 3.943 3.943 . 0 0 "[ ]" 1
1127 1 9 ILE QG 1 93 ASP QB 3.450 . 6.400 2.248 2.248 2.248 . 0 0 "[ ]" 1
1128 1 49 THR MG 1 50 ASP QB 3.950 . 7.300 3.365 3.365 3.365 . 0 0 "[ ]" 1
1129 1 97 TYR HD1 1 101 ALA HA 4.450 . 7.000 4.878 4.878 4.878 . 0 0 "[ ]" 1
1130 1 38 ARG HA 1 40 THR MG 3.950 . 6.600 4.682 4.682 4.682 . 0 0 "[ ]" 1
1131 1 72 LYS HA 1 78 THR HB 3.450 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 1
1132 1 94 LEU HA 1 95 ILE HA 3.450 . 5.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
1133 1 35 LEU MD1 1 59 TRP HB2 3.950 . 6.600 4.124 4.124 4.124 . 0 0 "[ ]" 1
1134 1 9 ILE HA 1 12 GLN HB2 3.450 . 5.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
1135 1 85 ILE MD 1 94 LEU HG 3.950 . 6.600 2.822 2.822 2.822 . 0 0 "[ ]" 1
1136 1 72 LYS HA 1 73 LYS HA 3.450 . 5.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
1137 1 58 THR HB 1 63 THR MG 3.950 . 6.600 2.732 2.732 2.732 . 0 0 "[ ]" 1
1138 1 64 LEU HB2 1 95 ILE HA 3.450 . 5.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
1139 1 85 ILE QG 1 94 LEU MD1 3.950 . 7.300 3.407 3.407 3.407 . 0 0 "[ ]" 1
1140 1 36 PHE QE 1 64 LEU HG 4.450 . 11.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
1141 1 66 GLU QG 1 73 LYS QG 3.450 . 6.400 4.936 4.936 4.936 . 0 0 "[ ]" 1
1142 1 83 ALA MB 1 86 LYS QB 3.950 . 7.300 3.193 3.193 3.193 . 0 0 "[ ]" 1
1143 1 89 THR HA 1 92 GLU QB 3.450 . 5.700 3.231 3.231 3.231 . 0 0 "[ ]" 1
1144 1 40 THR MG 1 59 TRP HZ2 3.950 . 6.600 3.973 3.973 3.973 . 0 0 "[ ]" 1
1145 1 3 VAL MG1 1 4 GLU HA 3.950 . 6.600 3.101 3.101 3.101 . 0 0 "[ ]" 1
1146 1 2 ASP QB 1 3 VAL HB 3.450 . 5.700 4.857 4.857 4.857 . 0 0 "[ ]" 1
1147 1 36 PHE HA 1 59 TRP HA 3.450 . 5.000 4.880 4.880 4.880 . 0 0 "[ ]" 1
1148 1 40 THR HB 1 59 TRP HH2 3.450 . 5.000 5.080 5.080 5.080 0.080 1 0 "[ ]" 1
1149 1 46 PHE HD2 1 47 THR HB 4.450 . 7.000 5.465 5.465 5.465 . 0 0 "[ ]" 1
1150 1 6 GLY HA3 1 94 LEU MD1 3.950 . 6.600 5.605 5.605 5.605 . 0 0 "[ ]" 1
1151 1 36 PHE QD 1 95 ILE QG 4.450 . 11.700 3.690 3.690 3.690 . 0 0 "[ ]" 1
1152 1 35 LEU HG 1 98 LEU HB3 3.450 . 5.000 4.244 4.244 4.244 . 0 0 "[ ]" 1
1153 1 40 THR MG 1 59 TRP HA 3.950 . 6.600 4.800 4.800 4.800 . 0 0 "[ ]" 1
1154 1 9 ILE MG 1 85 ILE QG 3.950 . 7.300 1.997 1.997 1.997 . 0 0 "[ ]" 1
1155 1 85 ILE MD 1 94 LEU HB2 3.950 . 6.600 3.610 3.610 3.610 . 0 0 "[ ]" 1
1156 1 2 ASP QB 1 5 LYS HA 3.450 . 5.700 4.054 4.054 4.054 . 0 0 "[ ]" 1
1157 1 36 PHE HA 1 60 LYS HB2 3.450 . 5.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
1158 1 40 THR HB 1 58 THR HA 3.450 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
1159 1 50 ASP QB 1 51 ALA MB 3.950 . 7.300 3.883 3.883 3.883 . 0 0 "[ ]" 1
1160 1 31 ASN HB3 1 33 HIS QB 3.450 . 5.700 4.747 4.747 4.747 . 0 0 "[ ]" 1
1161 1 72 LYS HA 1 75 ILE HB 3.450 . 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
1162 1 71 PRO QB 1 72 LYS QB 3.450 . 6.400 3.982 3.982 3.982 . 0 0 "[ ]" 1
1163 1 51 ALA MB 1 52 ASN HB2 3.950 . 6.600 4.114 4.114 4.114 . 0 0 "[ ]" 1
1164 1 59 TRP HH2 1 67 TYR HA 3.450 . 5.000 5.039 5.039 5.039 0.039 1 0 "[ ]" 1
1165 1 102 THR MG 1 103 ASN QB 3.950 . 7.300 4.176 4.176 4.176 . 0 0 "[ ]" 1
1166 1 3 VAL HA 1 97 TYR HD1 4.450 . 7.000 3.398 3.398 3.398 . 0 0 "[ ]" 1
1167 1 52 ASN HB2 1 78 THR HB 3.450 . 5.000 4.694 4.694 4.694 . 0 0 "[ ]" 1
1168 1 46 PHE HD1 1 47 THR MG 4.950 . 8.600 3.509 3.509 3.509 . 0 0 "[ ]" 1
1169 1 2 ASP HA 1 93 ASP HA 3.450 . 5.000 4.917 4.917 4.917 . 0 0 "[ ]" 1
1170 1 46 PHE HD2 1 47 THR HA 4.450 . 7.000 6.189 6.189 6.189 . 0 0 "[ ]" 1
1171 1 51 ALA MB 1 78 THR HA 3.950 . 6.600 4.217 4.217 4.217 . 0 0 "[ ]" 1
1172 1 36 PHE HA 1 64 LEU MD1 3.950 . 6.600 4.357 4.357 4.357 . 0 0 "[ ]" 1
1173 1 10 PHE HZ 1 97 TYR HE2 4.950 . 8.000 4.922 4.922 4.922 . 0 0 "[ ]" 1
1174 1 10 PHE HZ 1 98 LEU HG 4.450 . 7.000 5.228 5.228 5.228 . 0 0 "[ ]" 1
1175 1 9 ILE MG 1 94 LEU MD2 4.450 . 8.200 3.695 3.695 3.695 . 0 0 "[ ]" 1
1176 1 2 ASP QB 1 6 GLY HA2 3.450 . 5.700 4.921 4.921 4.921 . 0 0 "[ ]" 1
1177 1 73 LYS QE 1 86 LYS QG 3.450 . 6.400 4.702 4.702 4.702 . 0 0 "[ ]" 1
1178 1 72 LYS QG 1 78 THR HB 3.450 . 5.700 4.365 4.365 4.365 . 0 0 "[ ]" 1
1179 1 3 VAL HA 1 97 TYR H 3.450 . 5.000 3.966 3.966 3.966 . 0 0 "[ ]" 1
1180 1 70 ASN HA 1 83 ALA HA 3.450 . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
1181 1 76 PRO HA 1 78 THR HB 3.450 . 5.000 5.028 5.028 5.028 0.028 1 0 "[ ]" 1
1182 1 67 TYR HA 1 68 LEU QB 3.450 . 5.700 5.169 5.169 5.169 . 0 0 "[ ]" 1
1183 1 3 VAL HA 1 97 TYR HB2 3.450 . 5.000 2.591 2.591 2.591 . 0 0 "[ ]" 1
1184 1 8 LYS HB3 1 9 ILE HA 3.450 . 5.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
1185 1 58 THR HA 1 63 THR MG 3.950 . 6.600 3.899 3.899 3.899 . 0 0 "[ ]" 1
1186 1 10 PHE HE2 1 31 ASN HA 4.450 . 7.000 5.623 5.623 5.623 . 0 0 "[ ]" 1
1187 1 58 THR HA 1 63 THR HB 3.450 . 5.000 5.094 5.094 5.094 0.094 1 0 "[ ]" 1
1188 1 4 GLU HA 1 97 TYR HD1 4.450 . 7.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
1189 1 9 ILE HA 1 94 LEU MD1 3.950 . 6.600 5.037 5.037 5.037 . 0 0 "[ ]" 1
1190 1 32 LEU HA 1 98 LEU MD1 3.950 . 6.600 4.451 4.451 4.451 . 0 0 "[ ]" 1
1191 1 1 GLY HA2 1 2 ASP QB 3.450 . 5.700 4.139 4.139 4.139 . 0 0 "[ ]" 1
1192 1 9 ILE HB 1 97 TYR HE2 4.450 . 7.000 5.811 5.811 5.811 . 0 0 "[ ]" 1
1193 1 66 GLU HB2 1 74 TYR QD 4.450 . 11.000 5.812 5.812 5.812 . 0 0 "[ ]" 1
1194 1 68 LEU MD1 1 94 LEU HB3 3.950 . 6.600 2.431 2.431 2.431 . 0 0 "[ ]" 1
1195 1 73 LYS HA 1 76 PRO HA 3.450 . 5.000 5.056 5.056 5.056 0.056 1 0 "[ ]" 1
1196 1 73 LYS HA 1 73 LYS QE 3.450 . 5.700 5.117 5.117 5.117 . 0 0 "[ ]" 1
1197 1 9 ILE HB 1 10 PHE HD1 4.450 . 7.000 5.519 5.519 5.519 . 0 0 "[ ]" 1
1198 1 53 LYS HB2 1 54 ASN QB 3.450 . 5.700 4.644 4.644 4.644 . 0 0 "[ ]" 1
1199 1 42 GLN QG 1 46 PHE HB3 3.450 . 5.700 4.907 4.907 4.907 . 0 0 "[ ]" 1
1200 1 9 ILE MG 1 13 LYS QB 3.950 . 7.300 3.399 3.399 3.399 . 0 0 "[ ]" 1
1201 1 10 PHE HB3 1 11 VAL HA 3.450 . 5.000 4.209 4.209 4.209 . 0 0 "[ ]" 1
1202 1 61 GLU HB2 1 62 GLU HA 3.450 . 5.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
1203 1 46 PHE HB3 1 47 THR HB 3.450 . 5.000 4.788 4.788 4.788 . 0 0 "[ ]" 1
1204 1 81 ILE HB 1 82 PHE QB 3.450 . 5.700 5.236 5.236 5.236 . 0 0 "[ ]" 1
1205 1 5 LYS HA 1 9 ILE MD 3.950 . 6.600 4.612 4.612 4.612 . 0 0 "[ ]" 1
1206 1 9 ILE QG 1 85 ILE MD 3.950 . 7.300 4.507 4.507 4.507 . 0 0 "[ ]" 1
1207 1 26 HIS HA 1 46 PHE HD2 4.450 . 7.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
1208 1 51 ALA MB 1 78 THR HB 3.950 . 6.600 4.826 4.826 4.826 . 0 0 "[ ]" 1
1209 1 98 LEU HB2 1 99 LYS QB 3.450 . 5.700 5.163 5.163 5.163 . 0 0 "[ ]" 1
1210 1 9 ILE QG 1 94 LEU HB3 3.450 . 5.700 5.697 5.697 5.697 . 0 0 "[ ]" 1
1211 1 60 LYS HB3 1 61 GLU HB3 3.450 . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
1212 1 102 THR HA 1 103 ASN QB 3.450 . 5.700 5.011 5.011 5.011 . 0 0 "[ ]" 1
1213 1 66 GLU HA 1 73 LYS QE 3.450 . 5.700 2.292 2.292 2.292 . 0 0 "[ ]" 1
1214 1 66 GLU HA 1 73 LYS QG 3.450 . 5.700 4.329 4.329 4.329 . 0 0 "[ ]" 1
1215 1 1 GLY HA3 1 97 TYR H 3.450 . 5.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
1216 1 40 THR MG 1 59 TRP HE3 3.950 . 6.600 5.330 5.330 5.330 . 0 0 "[ ]" 1
1217 1 67 TYR HD2 1 75 ILE HB 4.450 . 7.000 5.330 5.330 5.330 . 0 0 "[ ]" 1
1218 1 3 VAL MG1 1 97 TYR HA 3.950 . 6.600 3.346 3.346 3.346 . 0 0 "[ ]" 1
1219 1 5 LYS H 1 97 TYR HB2 3.450 . 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
1220 1 32 LEU HB2 1 97 TYR HE2 4.450 . 7.000 5.787 5.787 5.787 . 0 0 "[ ]" 1
1221 1 75 ILE MG 1 76 PRO QG 3.950 . 7.300 4.585 4.585 4.585 . 0 0 "[ ]" 1
1222 1 51 ALA MB 1 54 ASN H 3.950 . 6.600 5.042 5.042 5.042 . 0 0 "[ ]" 1
1223 1 10 PHE HD1 1 94 LEU HA 4.450 . 7.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
1224 1 95 ILE QG 1 98 LEU HB2 3.450 . 5.700 4.764 4.764 4.764 . 0 0 "[ ]" 1
1225 1 69 GLU QB 1 73 LYS QG 3.450 . 6.400 3.881 3.881 3.881 . 0 0 "[ ]" 1
1226 1 10 PHE HZ 1 98 LEU MD1 4.950 . 8.600 4.502 4.502 4.502 . 0 0 "[ ]" 1
1227 1 42 GLN QB 1 44 PRO QD 3.450 . 6.400 4.438 4.438 4.438 . 0 0 "[ ]" 1
1228 1 10 PHE HE2 1 11 VAL MG2 4.950 . 8.600 4.115 4.115 4.115 . 0 0 "[ ]" 1
1229 1 72 LYS QG 1 75 ILE MG 3.950 . 7.300 4.733 4.733 4.733 . 0 0 "[ ]" 1
1230 1 14 CYS HA 1 82 PHE QE 4.450 . 11.000 5.170 5.170 5.170 . 0 0 "[ ]" 1
1231 1 36 PHE HB3 1 64 LEU MD1 3.950 . 6.600 4.600 4.600 4.600 . 0 0 "[ ]" 1
1232 1 38 ARG H 1 59 TRP HB2 3.450 . 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
1233 1 42 GLN QG 1 44 PRO QD 3.450 . 6.400 4.175 4.175 4.175 . 0 0 "[ ]" 1
1234 1 64 LEU HA 1 67 TYR HD1 4.450 . 7.000 5.248 5.248 5.248 . 0 0 "[ ]" 1
1235 1 47 THR MG 1 79 LYS H 3.950 . 6.600 5.308 5.308 5.308 . 0 0 "[ ]" 1
1236 1 81 ILE MG 1 82 PHE QB 3.950 . 7.300 3.785 3.785 3.785 . 0 0 "[ ]" 1
1237 1 67 TYR HD1 1 74 TYR QE 4.950 . 12.000 5.787 5.787 5.787 . 0 0 "[ ]" 1
1238 1 97 TYR HD1 1 98 LEU HB2 4.450 . 7.000 5.960 5.960 5.960 . 0 0 "[ ]" 1
1239 1 10 PHE HE1 1 97 TYR HD2 4.950 . 8.000 5.977 5.977 5.977 . 0 0 "[ ]" 1
1240 1 59 TRP HB3 1 63 THR MG 3.950 . 6.600 5.504 5.504 5.504 . 0 0 "[ ]" 1
1241 1 36 PHE QD 1 103 ASN QB 4.450 . 11.700 5.878 5.878 5.878 . 0 0 "[ ]" 1
1242 1 3 VAL MG1 1 97 TYR HD1 4.950 . 8.600 3.161 3.161 3.161 . 0 0 "[ ]" 1
1243 1 43 ALA MB 1 46 PHE HB2 3.950 . 6.600 4.056 4.056 4.056 . 0 0 "[ ]" 1
1244 1 57 ILE MD 1 67 TYR HB2 3.950 . 6.600 4.922 4.922 4.922 . 0 0 "[ ]" 1
1245 1 9 ILE HB 1 12 GLN QG 3.450 . 5.700 4.410 4.410 4.410 . 0 0 "[ ]" 1
1246 1 94 LEU MD1 1 95 ILE HA 3.950 . 6.600 5.106 5.106 5.106 . 0 0 "[ ]" 1
1247 1 51 ALA HA 1 75 ILE MG 3.950 . 6.600 4.546 4.546 4.546 . 0 0 "[ ]" 1
1248 1 85 ILE QG 1 94 LEU HB3 3.450 . 5.700 6.137 6.137 6.137 0.437 1 0 "[ ]" 1
1249 1 94 LEU MD1 1 98 LEU HB2 3.950 . 6.600 5.392 5.392 5.392 . 0 0 "[ ]" 1
1250 1 35 LEU HA 1 98 LEU MD1 3.950 . 6.600 5.392 5.392 5.392 . 0 0 "[ ]" 1
1251 1 3 VAL MG2 1 97 TYR HA 3.950 . 6.600 2.965 2.965 2.965 . 0 0 "[ ]" 1
1252 1 6 GLY HA2 1 9 ILE MD 3.950 . 6.600 3.890 3.890 3.890 . 0 0 "[ ]" 1
1253 1 64 LEU HB3 1 68 LEU MD1 3.950 . 6.600 4.222 4.222 4.222 . 0 0 "[ ]" 1
1254 1 13 LYS QB 1 94 LEU MD1 3.950 . 7.300 3.537 3.537 3.537 . 0 0 "[ ]" 1
1255 1 49 THR MG 1 78 THR MG 4.450 . 8.200 4.134 4.134 4.134 . 0 0 "[ ]" 1
1256 1 67 TYR HH 1 75 ILE HB 3.450 . 5.000 5.122 5.122 5.122 0.122 1 0 "[ ]" 1
1257 1 3 VAL MG2 1 4 GLU HA 3.950 . 6.600 5.405 5.405 5.405 . 0 0 "[ ]" 1
1258 1 68 LEU MD1 1 94 LEU MD2 4.450 . 8.200 3.672 3.672 3.672 . 0 0 "[ ]" 1
1259 1 47 THR MG 1 49 THR HA 3.950 . 6.600 5.311 5.311 5.311 . 0 0 "[ ]" 1
1260 1 82 PHE QE 1 83 ALA HA 4.450 . 11.000 4.514 4.514 4.514 . 0 0 "[ ]" 1
1261 1 36 PHE QE 1 92 GLU HA 4.450 . 11.000 6.318 6.318 6.318 . 0 0 "[ ]" 1
1262 1 85 ILE MD 1 94 LEU HA 3.950 . 6.600 4.752 4.752 4.752 . 0 0 "[ ]" 1
1263 1 62 GLU QG 1 63 THR HA 3.450 . 5.700 3.998 3.998 3.998 . 0 0 "[ ]" 1
1264 1 9 ILE QG 1 93 ASP HA 3.450 . 5.700 4.935 4.935 4.935 . 0 0 "[ ]" 1
1265 1 82 PHE QB 1 83 ALA MB 3.950 . 7.300 5.111 5.111 5.111 . 0 0 "[ ]" 1
1266 1 10 PHE HD1 1 11 VAL HA 4.450 . 7.000 6.163 6.163 6.163 . 0 0 "[ ]" 1
1267 1 9 ILE MG 1 68 LEU MD1 4.450 . 8.200 3.574 3.574 3.574 . 0 0 "[ ]" 1
1268 1 9 ILE HB 1 85 ILE QG 3.450 . 5.700 4.679 4.679 4.679 . 0 0 "[ ]" 1
1269 1 4 GLU HA 1 8 LYS HB2 3.450 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
1270 1 36 PHE QD 1 64 LEU HG 4.450 . 11.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
1271 1 47 THR MG 1 48 TYR QB 3.950 . 6.600 4.727 4.727 4.727 . 0 0 "[ ]" 1
1272 1 14 CYS HA 1 82 PHE QD 4.450 . 11.000 5.285 5.285 5.285 . 0 0 "[ ]" 1
1273 1 57 ILE QG 1 59 TRP HZ3 3.450 . 5.700 4.804 4.804 4.804 . 0 0 "[ ]" 1
1274 1 62 GLU QB 1 66 GLU QG 3.450 . 6.400 3.845 3.845 3.845 . 0 0 "[ ]" 1
1275 1 10 PHE HE1 1 94 LEU MD1 4.950 . 8.600 4.616 4.616 4.616 . 0 0 "[ ]" 1
1276 1 62 GLU HA 1 63 THR MG 3.950 . 6.600 5.445 5.445 5.445 . 0 0 "[ ]" 1
1277 1 99 LYS QB 1 101 ALA MB 3.950 . 7.300 5.223 5.223 5.223 . 0 0 "[ ]" 1
1278 1 57 ILE QG 1 59 TRP HE3 3.450 . 5.700 4.782 4.782 4.782 . 0 0 "[ ]" 1
1279 1 60 LYS HB2 1 95 ILE MG 3.950 . 6.600 5.490 5.490 5.490 . 0 0 "[ ]" 1
1280 1 68 LEU MD1 1 94 LEU HG 3.950 . 6.600 3.789 3.789 3.789 . 0 0 "[ ]" 1
1281 1 57 ILE MG 1 63 THR HB 3.950 . 6.600 5.500 5.500 5.500 . 0 0 "[ ]" 1
1282 1 94 LEU HB3 1 97 TYR HE2 4.450 . 7.000 5.972 5.972 5.972 . 0 0 "[ ]" 1
1283 1 42 GLN QG 1 44 PRO HA 3.450 . 5.700 4.806 4.806 4.806 . 0 0 "[ ]" 1
1284 1 85 ILE HA 1 94 LEU MD1 3.950 . 6.600 5.140 5.140 5.140 . 0 0 "[ ]" 1
1285 1 66 GLU HB2 1 73 LYS QG 3.450 . 5.700 4.562 4.562 4.562 . 0 0 "[ ]" 1
1286 1 85 ILE QG 1 94 LEU HG 3.450 . 5.700 4.623 4.623 4.623 . 0 0 "[ ]" 1
1287 1 10 PHE HZ 1 98 LEU HB2 4.450 . 7.000 6.607 6.607 6.607 . 0 0 "[ ]" 1
1288 1 94 LEU HB2 1 98 LEU MD2 3.950 . 6.600 6.098 6.098 6.098 . 0 0 "[ ]" 1
1289 1 36 PHE QE 1 63 THR HB 4.450 . 11.000 7.119 7.119 7.119 . 0 0 "[ ]" 1
1290 1 9 ILE MD 1 10 PHE HA 3.950 . 6.600 5.880 5.880 5.880 . 0 0 "[ ]" 1
1291 1 73 LYS QE 1 74 TYR QB 3.450 . 6.400 4.286 4.286 4.286 . 0 0 "[ ]" 1
1292 1 92 GLU QB 1 95 ILE MG 3.950 . 7.300 4.998 4.998 4.998 . 0 0 "[ ]" 1
1293 1 4 GLU QB 1 5 LYS QB 3.450 . 6.400 4.189 4.189 4.189 . 0 0 "[ ]" 1
1294 1 88 LYS HA 1 89 THR MG 3.950 . 6.600 5.234 5.234 5.234 . 0 0 "[ ]" 1
1295 1 8 LYS HA 1 10 PHE HD2 4.450 . 7.000 6.503 6.503 6.503 . 0 0 "[ ]" 1
1296 1 3 VAL HB 1 97 TYR HA 3.450 . 5.000 4.921 4.921 4.921 . 0 0 "[ ]" 1
1297 1 64 LEU MD1 1 94 LEU HB2 3.950 . 6.600 6.503 6.503 6.503 . 0 0 "[ ]" 1
1298 1 89 THR HB 1 92 GLU QB 3.450 . 5.700 4.945 4.945 4.945 . 0 0 "[ ]" 1
1299 1 97 TYR HE2 1 101 ALA HA 4.450 . 7.000 6.995 6.995 6.995 . 0 0 "[ ]" 1
1300 1 93 ASP HA 1 97 TYR HD2 4.450 . 7.000 6.254 6.254 6.254 . 0 0 "[ ]" 1
1301 1 72 LYS QG 1 76 PRO QG 3.450 . 6.400 4.719 4.719 4.719 . 0 0 "[ ]" 1
1302 1 67 TYR HB2 1 73 LYS QG 3.450 . 5.700 5.021 5.021 5.021 . 0 0 "[ ]" 1
1303 1 35 LEU MD1 1 95 ILE MG 4.450 . 8.200 3.843 3.843 3.843 . 0 0 "[ ]" 1
1304 1 101 ALA MB 1 103 ASN QB 3.950 . 7.300 4.983 4.983 4.983 . 0 0 "[ ]" 1
1305 1 8 LYS QG 1 12 GLN HA 3.450 . 5.700 5.136 5.136 5.136 . 0 0 "[ ]" 1
1306 1 36 PHE QD 1 59 TRP HA 4.450 . 11.000 5.143 5.143 5.143 . 0 0 "[ ]" 1
1307 1 19 THR MG 1 28 THR HB 3.950 . 6.600 5.435 5.435 5.435 . 0 0 "[ ]" 1
1308 1 2 ASP QB 1 97 TYR HA 3.450 . 5.700 5.131 5.131 5.131 . 0 0 "[ ]" 1
1309 1 66 GLU QG 1 74 TYR QD 4.450 . 11.700 6.679 6.679 6.679 . 0 0 "[ ]" 1
1310 1 13 LYS HA 1 85 ILE QG 3.450 . 5.700 4.899 4.899 4.899 . 0 0 "[ ]" 1
1311 1 68 LEU MD1 1 95 ILE HB 3.950 . 6.600 4.548 4.548 4.548 . 0 0 "[ ]" 1
1312 1 72 LYS QG 1 78 THR HA 3.450 . 5.700 5.116 5.116 5.116 . 0 0 "[ ]" 1
1313 1 10 PHE HD1 1 11 VAL MG2 4.950 . 8.600 5.530 5.530 5.530 . 0 0 "[ ]" 1
1314 1 44 PRO QD 1 54 ASN QB 3.450 . 6.400 4.864 4.864 4.864 . 0 0 "[ ]" 1
1315 1 46 PHE HB3 1 48 TYR QB 3.450 . 5.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
1316 1 85 ILE HB 1 94 LEU HG 3.450 . 5.000 5.061 5.061 5.061 0.061 1 0 "[ ]" 1
1317 1 10 PHE HE1 1 95 ILE HA 4.450 . 7.000 7.140 7.140 7.140 0.140 1 0 "[ ]" 1
1318 1 26 HIS QB 1 47 THR HB 3.450 . 5.700 5.115 5.115 5.115 . 0 0 "[ ]" 1
1319 1 63 THR MG 1 66 GLU QG 3.950 . 7.300 4.947 4.947 4.947 . 0 0 "[ ]" 1
1320 1 72 LYS HA 1 81 ILE QG 3.450 . 5.700 5.037 5.037 5.037 . 0 0 "[ ]" 1
1321 1 10 PHE HE1 1 11 VAL HA 4.450 . 7.000 6.922 6.922 6.922 . 0 0 "[ ]" 1
1322 1 3 VAL HB 1 97 TYR HD1 4.450 . 7.000 5.544 5.544 5.544 . 0 0 "[ ]" 1
1323 1 35 LEU MD1 1 94 LEU HB2 3.950 . 6.600 6.644 6.644 6.644 0.044 1 0 "[ ]" 1
1324 1 57 ILE MG 1 59 TRP HH2 3.950 . 6.600 4.783 4.783 4.783 . 0 0 "[ ]" 1
1325 1 10 PHE HZ 1 97 TYR HD2 4.950 . 8.000 7.209 7.209 7.209 . 0 0 "[ ]" 1
1326 1 3 VAL HA 1 100 LYS QB 3.450 . 5.700 4.981 4.981 4.981 . 0 0 "[ ]" 1
1327 1 66 GLU HB3 1 69 GLU QB 3.450 . 5.700 4.788 4.788 4.788 . 0 0 "[ ]" 1
1328 1 67 TYR HH 1 71 PRO QG 3.450 . 5.700 4.878 4.878 4.878 . 0 0 "[ ]" 1
1329 1 3 VAL HA 1 97 TYR HD2 4.450 . 7.000 5.924 5.924 5.924 . 0 0 "[ ]" 1
1330 1 57 ILE MD 1 64 LEU HA 3.950 . 6.600 5.938 5.938 5.938 . 0 0 "[ ]" 1
1331 1 13 LYS HA 1 82 PHE QD 4.450 . 11.000 5.185 5.185 5.185 . 0 0 "[ ]" 1
1332 1 9 ILE QG 1 97 TYR HD1 4.450 . 7.700 6.928 6.928 6.928 . 0 0 "[ ]" 1
1333 1 85 ILE HB 1 94 LEU MD2 3.950 . 6.600 5.457 5.457 5.457 . 0 0 "[ ]" 1
1334 1 62 GLU QG 1 66 GLU QG 3.450 . 6.400 2.305 2.305 2.305 . 0 0 "[ ]" 1
1335 1 3 VAL MG1 1 101 ALA HA 3.950 . 6.600 4.625 4.625 4.625 . 0 0 "[ ]" 1
1336 1 36 PHE QE 1 59 TRP HE3 4.450 . 11.000 6.189 6.189 6.189 . 0 0 "[ ]" 1
1337 1 57 ILE MD 1 59 TRP HB3 3.950 . 6.600 6.190 6.190 6.190 . 0 0 "[ ]" 1
1338 1 36 PHE QD 1 101 ALA MB 4.950 . 12.600 6.267 6.267 6.267 . 0 0 "[ ]" 1
1339 1 62 GLU QG 1 66 GLU HA 3.450 . 5.700 5.193 5.193 5.193 . 0 0 "[ ]" 1
1340 1 85 ILE QG 1 94 LEU MD2 3.950 . 7.300 5.395 5.395 5.395 . 0 0 "[ ]" 1
1341 1 43 ALA MB 1 46 PHE HD1 4.950 . 8.600 6.661 6.661 6.661 . 0 0 "[ ]" 1
1342 1 36 PHE QE 1 103 ASN QB 4.450 . 11.700 6.263 6.263 6.263 . 0 0 "[ ]" 1
1343 1 85 ILE MD 1 95 ILE MD 4.450 . 8.200 6.012 6.012 6.012 . 0 0 "[ ]" 1
1344 1 57 ILE MD 1 63 THR H 4.450 . 7.600 6.635 6.635 6.635 . 0 0 "[ ]" 1
1345 1 57 ILE MD 1 64 LEU MD2 4.450 . 8.200 4.920 4.920 4.920 . 0 0 "[ ]" 1
1346 1 97 TYR HD1 1 100 LYS QB 4.450 . 7.700 5.751 5.751 5.751 . 0 0 "[ ]" 1
1347 1 10 PHE HD1 1 35 LEU MD2 4.950 . 8.600 6.490 6.490 6.490 . 0 0 "[ ]" 1
1348 1 3 VAL MG2 1 97 TYR HD1 4.950 . 8.600 4.644 4.644 4.644 . 0 0 "[ ]" 1
1349 1 57 ILE MG 1 59 TRP HE3 4.950 . 8.600 6.453 6.453 6.453 . 0 0 "[ ]" 1
1350 1 10 PHE HD2 1 94 LEU MD1 4.950 . 8.600 6.492 6.492 6.492 . 0 0 "[ ]" 1
1351 1 59 TRP HE3 1 67 TYR HD1 4.450 . 7.000 7.056 7.056 7.056 0.056 1 0 "[ ]" 1
1352 1 10 PHE HZ 1 102 THR MG 4.950 . 8.600 7.019 7.019 7.019 . 0 0 "[ ]" 1
1353 1 43 ALA MB 1 46 PHE HD2 4.950 . 8.600 5.886 5.886 5.886 . 0 0 "[ ]" 1
1354 1 10 PHE HE1 1 94 LEU HA 4.450 . 7.000 6.895 6.895 6.895 . 0 0 "[ ]" 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 45
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 0.259
_Distance_constraint_stats_list.Viol_max 0.031
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0130
_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 3 VAL 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.000 0.000 1 0 "[ ]"
1 5 LYS 0.000 0.000 . 0 "[ ]"
1 6 GLY 0.000 0.000 . 0 "[ ]"
1 7 LYS 0.000 0.000 . 0 "[ ]"
1 8 LYS 0.009 0.009 1 0 "[ ]"
1 9 ILE 0.007 0.007 1 0 "[ ]"
1 10 PHE 0.014 0.014 1 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 GLN 0.009 0.009 1 0 "[ ]"
1 13 LYS 0.007 0.007 1 0 "[ ]"
1 14 CYS 0.014 0.014 1 0 "[ ]"
1 18 HIS 0.000 0.000 . 0 "[ ]"
1 19 THR 0.026 0.026 1 0 "[ ]"
1 32 LEU 0.035 0.026 1 0 "[ ]"
1 35 LEU 0.008 0.008 1 0 "[ ]"
1 43 ALA 0.000 0.000 . 0 "[ ]"
1 46 PHE 0.000 0.000 . 0 "[ ]"
1 51 ALA 0.006 0.006 1 0 "[ ]"
1 55 LYS 0.006 0.006 1 0 "[ ]"
1 60 LYS 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.000 0.000 . 0 "[ ]"
1 62 GLU 0.027 0.027 1 0 "[ ]"
1 63 THR 0.000 0.000 . 0 "[ ]"
1 64 LEU 0.009 0.009 1 0 "[ ]"
1 65 MET 0.000 0.000 . 0 "[ ]"
1 66 GLU 0.029 0.027 1 0 "[ ]"
1 67 TYR 0.009 0.009 1 0 "[ ]"
1 68 LEU 0.000 0.000 . 0 "[ ]"
1 69 GLU 0.002 0.002 1 0 "[ ]"
1 70 ASN 0.014 0.014 1 0 "[ ]"
1 71 PRO 0.000 0.000 . 0 "[ ]"
1 72 LYS 0.021 0.021 1 0 "[ ]"
1 73 LYS 0.014 0.014 1 0 "[ ]"
1 74 TYR 0.000 0.000 . 0 "[ ]"
1 75 ILE 0.021 0.021 1 0 "[ ]"
1 78 THR 0.000 0.000 . 0 "[ ]"
1 88 LYS 0.000 0.000 . 0 "[ ]"
1 89 THR 0.018 0.014 1 0 "[ ]"
1 90 GLU 0.013 0.013 1 0 "[ ]"
1 91 ARG 0.000 0.000 . 0 "[ ]"
1 92 GLU 0.025 0.014 1 0 "[ ]"
1 93 ASP 0.027 0.014 1 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 ILE 0.014 0.014 1 0 "[ ]"
1 96 ALA 0.007 0.007 1 0 "[ ]"
1 97 TYR 0.007 0.007 1 0 "[ ]"
1 98 LEU 0.000 0.000 . 0 "[ ]"
1 99 LYS 0.000 0.000 . 0 "[ ]"
1 100 LYS 0.039 0.031 1 0 "[ ]"
1 101 ALA 0.024 0.024 1 0 "[ ]"
1 102 THR 0.000 0.000 . 0 "[ ]"
1 103 ASN 0.031 0.031 1 0 "[ ]"
1 104 GLU 0.024 0.024 1 0 "[ ]"
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 3 VAL O 1 7 LYS H 2.000 . 2.400 2.101 2.101 2.101 . 0 0 "[ ]" 2
2 1 4 GLU O 1 8 LYS H 2.000 . 2.400 2.400 2.400 2.400 0.000 1 0 "[ ]" 2
3 1 5 LYS O 1 9 ILE H 2.000 . 2.400 2.099 2.099 2.099 . 0 0 "[ ]" 2
4 1 6 GLY O 1 10 PHE H 2.000 . 2.400 2.045 2.045 2.045 . 0 0 "[ ]" 2
5 1 7 LYS O 1 11 VAL H 2.000 . 2.400 2.341 2.341 2.341 . 0 0 "[ ]" 2
6 1 8 LYS O 1 12 GLN H 2.000 . 2.400 2.409 2.409 2.409 0.009 1 0 "[ ]" 2
7 1 9 ILE O 1 13 LYS H 2.000 . 2.400 2.407 2.407 2.407 0.007 1 0 "[ ]" 2
8 1 10 PHE O 1 14 CYS H 2.000 . 2.400 2.414 2.414 2.414 0.014 1 0 "[ ]" 2
9 1 14 CYS O 1 18 HIS H 2.000 . 2.400 2.379 2.379 2.379 . 0 0 "[ ]" 2
10 1 19 THR O 1 32 LEU H 2.000 . 2.400 2.426 2.426 2.426 0.026 1 0 "[ ]" 2
11 1 32 LEU O 1 35 LEU H 2.000 . 2.400 2.408 2.408 2.408 0.008 1 0 "[ ]" 2
12 1 43 ALA O 1 46 PHE H 2.000 . 2.400 2.028 2.028 2.028 . 0 0 "[ ]" 2
13 1 51 ALA O 1 55 LYS H 2.000 . 2.400 2.406 2.406 2.406 0.006 1 0 "[ ]" 2
14 1 60 LYS O 1 64 LEU H 2.000 . 2.400 2.159 2.159 2.159 . 0 0 "[ ]" 2
15 1 61 GLU O 1 64 LEU H 2.000 . 2.400 2.037 2.037 2.037 . 0 0 "[ ]" 2
16 1 61 GLU O 1 65 MET H 2.000 . 2.400 1.940 1.940 1.940 . 0 0 "[ ]" 2
17 1 62 GLU O 1 66 GLU H 2.000 . 2.400 2.427 2.427 2.427 0.027 1 0 "[ ]" 2
18 1 63 THR O 1 67 TYR H 2.000 . 2.400 2.261 2.261 2.261 . 0 0 "[ ]" 2
19 1 64 LEU O 1 67 TYR H 2.000 . 2.400 2.409 2.409 2.409 0.009 1 0 "[ ]" 2
20 1 64 LEU O 1 68 LEU H 2.000 . 2.400 2.084 2.084 2.084 . 0 0 "[ ]" 2
21 1 66 GLU O 1 69 GLU H 2.000 . 2.400 2.402 2.402 2.402 0.002 1 0 "[ ]" 2
22 1 67 TYR O 1 70 ASN H 2.000 . 2.400 2.173 2.173 2.173 . 0 0 "[ ]" 2
23 1 70 ASN O 1 73 LYS H 2.000 . 2.400 2.414 2.414 2.414 0.014 1 0 "[ ]" 2
24 1 71 PRO O 1 74 TYR H 2.000 . 2.400 2.138 2.138 2.138 . 0 0 "[ ]" 2
25 1 72 LYS O 1 75 ILE H 2.000 . 2.400 2.421 2.421 2.421 0.021 1 0 "[ ]" 2
26 1 75 ILE O 1 78 THR H 2.000 . 2.400 2.035 2.035 2.035 . 0 0 "[ ]" 2
27 1 88 LYS O 1 91 ARG H 2.000 . 2.400 2.291 2.291 2.291 . 0 0 "[ ]" 2
28 1 88 LYS O 1 92 GLU H 2.000 . 2.400 2.106 2.106 2.106 . 0 0 "[ ]" 2
29 1 89 THR O 1 92 GLU H 2.000 . 2.400 2.404 2.404 2.404 0.004 1 0 "[ ]" 2
30 1 89 THR O 1 93 ASP H 2.000 . 2.400 2.414 2.414 2.414 0.014 1 0 "[ ]" 2
31 1 90 GLU O 1 93 ASP H 2.000 . 2.400 2.413 2.413 2.413 0.013 1 0 "[ ]" 2
32 1 90 GLU O 1 94 LEU H 2.000 . 2.400 2.059 2.059 2.059 . 0 0 "[ ]" 2
33 1 91 ARG O 1 94 LEU H 2.000 . 2.400 2.279 2.279 2.279 . 0 0 "[ ]" 2
34 1 91 ARG O 1 95 ILE H 2.000 . 2.400 2.244 2.244 2.244 . 0 0 "[ ]" 2
35 1 92 GLU O 1 95 ILE H 2.000 . 2.400 2.414 2.414 2.414 0.014 1 0 "[ ]" 2
36 1 92 GLU O 1 96 ALA H 2.000 . 2.400 2.407 2.407 2.407 0.007 1 0 "[ ]" 2
37 1 93 ASP O 1 97 TYR H 2.000 . 2.400 2.117 2.117 2.117 . 0 0 "[ ]" 2
38 1 94 LEU O 1 98 LEU H 2.000 . 2.400 2.130 2.130 2.130 . 0 0 "[ ]" 2
39 1 95 ILE O 1 99 LYS H 2.000 . 2.400 1.951 1.951 1.951 . 0 0 "[ ]" 2
40 1 96 ALA O 1 99 LYS H 2.000 . 2.400 2.306 2.306 2.306 . 0 0 "[ ]" 2
41 1 97 TYR O 1 100 LYS H 2.000 . 2.400 2.407 2.407 2.407 0.007 1 0 "[ ]" 2
42 1 97 TYR O 1 101 ALA H 2.000 . 2.400 2.032 2.032 2.032 . 0 0 "[ ]" 2
43 1 98 LEU O 1 102 THR H 2.000 . 2.400 2.112 2.112 2.112 . 0 0 "[ ]" 2
44 1 100 LYS O 1 103 ASN H 2.000 . 2.400 2.431 2.431 2.431 0.031 1 0 "[ ]" 2
45 1 101 ALA O 1 104 GLU H 2.000 . 2.400 2.424 2.424 2.424 0.024 1 0 "[ ]" 2
stop_
save_
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