NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403564 |
1wlp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wlp
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 2633
_Distance_constraint_stats_list.Viol_count 152
_Distance_constraint_stats_list.Viol_total 6.948
_Distance_constraint_stats_list.Viol_max 0.271
_Distance_constraint_stats_list.Viol_rms 0.0150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0457
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 LEU 0.000 0.000 . 0 "[ ]"
1 4 GLY 0.000 0.000 . 0 "[ ]"
1 5 SER 0.000 0.000 . 0 "[ ]"
1 6 LYS 0.000 0.000 . 0 "[ ]"
1 7 GLN 0.143 0.143 1 0 "[ ]"
1 8 PRO 0.143 0.143 1 0 "[ ]"
1 9 PRO 0.000 0.000 . 0 "[ ]"
1 10 SER 0.000 0.000 . 0 "[ ]"
1 11 ASN 0.118 0.075 1 0 "[ ]"
1 12 PRO 0.252 0.119 1 0 "[ ]"
1 13 PRO 0.000 0.000 . 0 "[ ]"
1 14 PRO 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.000 0.000 . 0 "[ ]"
1 16 PRO 0.000 0.000 . 0 "[ ]"
1 17 PRO 0.000 0.000 . 0 "[ ]"
1 18 ALA 0.020 0.020 1 0 "[ ]"
1 19 GLU 0.127 0.065 1 0 "[ ]"
1 20 ALA 0.130 0.088 1 0 "[ ]"
1 21 ARG 0.020 0.020 1 0 "[ ]"
1 22 LYS 0.042 0.042 1 0 "[ ]"
1 23 LYS 0.025 0.025 1 0 "[ ]"
1 25 SER 0.025 0.025 1 0 "[ ]"
2 4 ILE 0.000 0.000 . 0 "[ ]"
2 5 THR 0.000 0.000 . 0 "[ ]"
2 6 GLY 0.000 0.000 . 0 "[ ]"
2 7 PRO 0.000 0.000 . 0 "[ ]"
2 8 ILE 0.083 0.075 1 0 "[ ]"
2 9 ILE 0.026 0.026 1 0 "[ ]"
2 10 LEU 0.212 0.094 1 0 "[ ]"
2 11 GLN 0.099 0.075 1 0 "[ ]"
2 12 THR 0.016 0.013 1 0 "[ ]"
2 13 TYR 0.027 0.027 1 0 "[ ]"
2 14 ARG 0.052 0.026 1 0 "[ ]"
2 15 ALA 0.153 0.088 1 0 "[ ]"
2 16 ILE 0.155 0.088 1 0 "[ ]"
2 17 ALA 0.000 0.000 . 0 "[ ]"
2 18 ASP 0.065 0.065 1 0 "[ ]"
2 19 TYR 0.032 0.032 1 0 "[ ]"
2 20 GLU 0.040 0.040 1 0 "[ ]"
2 21 LYS 0.070 0.036 1 0 "[ ]"
2 22 THR 0.000 0.000 . 0 "[ ]"
2 23 SER 0.000 0.000 . 0 "[ ]"
2 24 GLY 0.000 0.000 . 0 "[ ]"
2 25 SER 0.015 0.015 1 0 "[ ]"
2 26 GLU 0.005 0.005 1 0 "[ ]"
2 27 MET 0.031 0.026 1 0 "[ ]"
2 28 ALA 0.057 0.036 1 0 "[ ]"
2 29 LEU 0.212 0.088 1 0 "[ ]"
2 30 SER 0.000 0.000 . 0 "[ ]"
2 31 THR 0.000 0.000 . 0 "[ ]"
2 32 GLY 0.000 0.000 . 0 "[ ]"
2 33 ASP 0.101 0.067 1 0 "[ ]"
2 34 VAL 0.033 0.020 1 0 "[ ]"
2 35 VAL 0.133 0.051 1 0 "[ ]"
2 36 GLU 0.013 0.013 1 0 "[ ]"
2 37 VAL 0.243 0.094 1 0 "[ ]"
2 38 VAL 0.152 0.098 1 0 "[ ]"
2 39 GLU 0.221 0.094 1 0 "[ ]"
2 40 LYS 0.103 0.098 1 0 "[ ]"
2 41 SER 0.028 0.028 1 0 "[ ]"
2 42 GLU 0.124 0.098 1 0 "[ ]"
2 43 SER 0.049 0.035 1 0 "[ ]"
2 44 GLY 0.000 0.000 . 0 "[ ]"
2 45 TRP 0.237 0.119 1 0 "[ ]"
2 46 TRP 0.011 0.011 1 0 "[ ]"
2 47 PHE 0.029 0.029 1 0 "[ ]"
2 48 CYS 0.145 0.062 1 0 "[ ]"
2 49 GLN 0.100 0.090 1 0 "[ ]"
2 50 MET 0.205 0.062 1 0 "[ ]"
2 51 LYS 0.036 0.021 1 0 "[ ]"
2 52 ALA 0.000 0.000 . 0 "[ ]"
2 53 LYS 0.059 0.040 1 0 "[ ]"
2 54 ARG 0.316 0.093 1 0 "[ ]"
2 55 GLY 0.151 0.093 1 0 "[ ]"
2 56 TRP 0.023 0.015 1 0 "[ ]"
2 57 ILE 0.054 0.028 1 0 "[ ]"
2 58 PRO 0.028 0.028 1 0 "[ ]"
2 59 ALA 0.067 0.052 1 0 "[ ]"
2 60 SER 0.000 0.000 . 0 "[ ]"
2 61 PHE 0.000 0.000 . 0 "[ ]"
2 62 LEU 0.215 0.088 1 0 "[ ]"
2 63 GLU 0.159 0.062 1 0 "[ ]"
2 64 PRO 0.085 0.050 1 0 "[ ]"
2 65 LEU 0.167 0.063 1 0 "[ ]"
2 66 ASP 0.114 0.063 1 0 "[ ]"
2 67 SER 0.000 0.000 . 0 "[ ]"
2 68 PRO 0.000 0.000 . 0 "[ ]"
2 69 ASP 0.000 0.000 . 0 "[ ]"
2 70 GLU 0.126 0.082 1 0 "[ ]"
2 71 THR 0.165 0.082 1 0 "[ ]"
2 72 GLU 0.008 0.008 1 0 "[ ]"
2 73 ASP 0.047 0.039 1 0 "[ ]"
2 74 PRO 0.000 0.000 . 0 "[ ]"
2 75 GLU 0.000 0.000 . 0 "[ ]"
2 76 PRO 0.000 0.000 . 0 "[ ]"
2 77 ASN 0.089 0.089 1 0 "[ ]"
2 78 TYR 0.000 0.000 . 0 "[ ]"
2 79 ALA 0.000 0.000 . 0 "[ ]"
2 80 GLY 0.000 0.000 . 0 "[ ]"
2 81 GLU 0.095 0.073 1 0 "[ ]"
2 82 PRO 0.180 0.128 1 0 "[ ]"
2 83 TYR 0.150 0.117 1 0 "[ ]"
2 84 VAL 0.032 0.019 1 0 "[ ]"
2 85 ALA 0.013 0.013 1 0 "[ ]"
2 86 ILE 0.336 0.168 1 0 "[ ]"
2 87 LYS 0.014 0.009 1 0 "[ ]"
2 88 ALA 0.000 0.000 . 0 "[ ]"
2 89 TYR 0.117 0.057 1 0 "[ ]"
2 90 THR 0.005 0.005 1 0 "[ ]"
2 91 ALA 0.000 0.000 . 0 "[ ]"
2 92 VAL 0.030 0.030 1 0 "[ ]"
2 93 GLU 0.035 0.030 1 0 "[ ]"
2 94 GLY 0.000 0.000 . 0 "[ ]"
2 95 ASP 0.271 0.271 1 0 "[ ]"
2 96 GLU 0.320 0.271 1 0 "[ ]"
2 97 VAL 0.203 0.130 1 0 "[ ]"
2 98 SER 0.311 0.224 1 0 "[ ]"
2 99 LEU 0.070 0.057 1 0 "[ ]"
2 100 LEU 0.034 0.034 1 0 "[ ]"
2 101 GLU 0.000 0.000 . 0 "[ ]"
2 102 GLY 0.043 0.043 1 0 "[ ]"
2 103 GLU 0.001 0.001 1 0 "[ ]"
2 104 ALA 0.051 0.051 1 0 "[ ]"
2 105 VAL 0.526 0.169 1 0 "[ ]"
2 106 GLU 0.471 0.130 1 0 "[ ]"
2 107 VAL 0.243 0.128 1 0 "[ ]"
2 108 ILE 0.152 0.064 1 0 "[ ]"
2 109 HIS 0.076 0.051 1 0 "[ ]"
2 110 LYS 0.228 0.089 1 0 "[ ]"
2 111 LEU 0.199 0.098 1 0 "[ ]"
2 112 LEU 0.025 0.014 1 0 "[ ]"
2 113 ASP 0.008 0.008 1 0 "[ ]"
2 114 GLY 0.180 0.070 1 0 "[ ]"
2 115 TRP 0.128 0.049 1 0 "[ ]"
2 116 TRP 0.154 0.070 1 0 "[ ]"
2 117 VAL 0.095 0.037 1 0 "[ ]"
2 118 ILE 0.549 0.224 1 0 "[ ]"
2 119 ARG 0.493 0.223 1 0 "[ ]"
2 120 LYS 0.191 0.073 1 0 "[ ]"
2 121 ASP 0.151 0.077 1 0 "[ ]"
2 122 ASP 0.000 0.000 . 0 "[ ]"
2 123 VAL 0.184 0.056 1 0 "[ ]"
2 124 THR 0.112 0.058 1 0 "[ ]"
2 125 GLY 0.319 0.223 1 0 "[ ]"
2 126 TYR 0.000 0.000 . 0 "[ ]"
2 127 PHE 0.020 0.020 1 0 "[ ]"
2 128 PRO 0.033 0.019 1 0 "[ ]"
2 129 SER 0.000 0.000 . 0 "[ ]"
2 130 MET 0.130 0.051 1 0 "[ ]"
2 131 TYR 0.017 0.017 1 0 "[ ]"
2 132 LEU 0.364 0.168 1 0 "[ ]"
2 133 GLN 0.000 0.000 . 0 "[ ]"
2 134 LYS 0.064 0.052 1 0 "[ ]"
2 135 SER 0.000 0.000 . 0 "[ ]"
2 136 GLY 0.000 0.000 . 0 "[ ]"
2 137 GLN 0.107 0.107 1 0 "[ ]"
2 138 ASP 0.000 0.000 . 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 2 12 THR HA 2 12 THR HB 2.500 . 3.300 2.530 2.530 2.530 . 0 0 "[ ]" 1
2 2 12 THR HB 2 36 GLU HA 4.000 . 6.000 4.967 4.967 4.967 . 0 0 "[ ]" 1
3 2 12 THR HB 2 36 GLU HG2 4.700 . 6.000 6.013 6.013 6.013 0.013 1 0 "[ ]" 1
4 2 12 THR HB 2 65 LEU HB3 3.000 . 4.100 2.622 2.622 2.622 . 0 0 "[ ]" 1
5 2 12 THR HB 2 34 VAL MG2 2.600 . 3.500 2.732 2.732 2.732 . 0 0 "[ ]" 1
6 2 12 THR HB 2 65 LEU QD 2.600 . 3.500 2.405 2.405 2.405 . 0 0 "[ ]" 1
7 2 124 THR HA 2 124 THR HB 2.200 . 2.800 2.285 2.285 2.285 . 0 0 "[ ]" 1
8 2 119 ARG HA 2 124 THR HB 4.100 . 6.000 3.938 3.938 3.938 . 0 0 "[ ]" 1
9 2 123 VAL HA 2 124 THR HB 4.900 . 6.000 5.863 5.863 5.863 . 0 0 "[ ]" 1
10 2 119 ARG QG 2 124 THR HB 4.200 . 6.000 4.715 4.715 4.715 . 0 0 "[ ]" 1
11 2 90 THR HA 2 90 THR HB 2.800 . 3.800 2.868 2.868 2.868 . 0 0 "[ ]" 1
12 2 17 ALA HA 2 31 THR HB 3.800 . 5.600 4.908 4.908 4.908 . 0 0 "[ ]" 1
13 2 31 THR HA 2 31 THR HB 2.700 . 3.600 3.023 3.023 3.023 . 0 0 "[ ]" 1
14 2 15 ALA MB 2 31 THR HB 4.400 . 6.000 5.274 5.274 5.274 . 0 0 "[ ]" 1
15 2 17 ALA HA 2 31 THR HA 3.400 . 4.800 4.585 4.585 4.585 . 0 0 "[ ]" 1
16 2 30 SER HA 2 30 SER HB3 2.600 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
17 2 18 ASP HA 2 30 SER HB3 4.200 . 6.000 5.147 5.147 5.147 . 0 0 "[ ]" 1
18 2 30 SER HA 2 30 SER HB2 2.700 . 3.600 2.403 2.403 2.403 . 0 0 "[ ]" 1
19 2 18 ASP HA 2 30 SER HB2 4.300 . 6.000 5.019 5.019 5.019 . 0 0 "[ ]" 1
20 2 82 PRO HA 2 82 PRO HB3 2.400 . 3.100 2.268 2.268 2.268 . 0 0 "[ ]" 1
21 2 41 SER HB3 2 56 TRP HH2 3.500 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
22 2 41 SER HB2 2 56 TRP HH2 3.100 . 4.300 3.072 3.072 3.072 . 0 0 "[ ]" 1
23 2 40 LYS HA 2 41 SER HB2 3.800 . 5.600 4.095 4.095 4.095 . 0 0 "[ ]" 1
24 2 25 SER HB3 2 56 TRP HD1 3.300 . 4.700 4.202 4.202 4.202 . 0 0 "[ ]" 1
25 2 25 SER HA 2 25 SER HB3 2.500 . 3.300 2.251 2.251 2.251 . 0 0 "[ ]" 1
26 2 107 VAL HA 2 118 ILE HA 2.600 . 3.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
27 2 107 VAL HA 2 118 ILE HB 3.500 . 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
28 2 25 SER HB2 2 56 TRP HD1 3.100 . 3.500 3.382 3.382 3.382 . 0 0 "[ ]" 1
29 2 92 VAL HA 2 92 VAL MG2 2.500 . 3.300 2.397 2.397 2.397 . 0 0 "[ ]" 1
30 2 92 VAL HA 2 92 VAL MG1 2.600 . 3.400 2.312 2.312 2.312 . 0 0 "[ ]" 1
31 2 13 TYR QR 2 64 PRO HA 3.000 . 4.100 2.523 2.523 2.523 . 0 0 "[ ]" 1
32 2 63 GLU HA 2 64 PRO HA 4.000 . 6.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
33 2 13 TYR HA 2 64 PRO HA 2.800 . 3.800 2.502 2.502 2.502 . 0 0 "[ ]" 1
34 2 64 PRO HA 2 65 LEU HB2 4.400 . 6.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
35 2 37 VAL HA 2 48 CYS HA 2.400 . 3.100 1.933 1.933 1.933 . 0 0 "[ ]" 1
36 2 37 VAL HA 2 48 CYS HB2 3.900 . 5.800 3.654 3.654 3.654 . 0 0 "[ ]" 1
37 2 37 VAL HA 2 48 CYS HB3 3.200 . 4.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
38 1 14 PRO HA 1 15 ARG HG3 4.400 . 6.000 4.777 4.777 4.777 . 0 0 "[ ]" 1
39 1 17 PRO HA 1 17 PRO HB3 2.400 . 3.100 2.306 2.306 2.306 . 0 0 "[ ]" 1
40 1 9 PRO HA 1 9 PRO HB3 2.700 . 3.600 2.309 2.309 2.309 . 0 0 "[ ]" 1
41 1 9 PRO HA 1 9 PRO HD2 3.900 . 5.800 3.927 3.927 3.927 . 0 0 "[ ]" 1
42 1 9 PRO HA 1 9 PRO HG2 4.200 . 6.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
43 2 34 VAL HA 2 34 VAL HB 3.000 . 4.100 2.322 2.322 2.322 . 0 0 "[ ]" 1
44 2 14 ARG HB2 2 34 VAL HA 3.700 . 5.400 3.970 3.970 3.970 . 0 0 "[ ]" 1
45 1 12 PRO HA 1 12 PRO HD2 4.000 . 6.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
46 1 12 PRO HA 1 13 PRO HD3 2.800 . 3.800 2.273 2.273 2.273 . 0 0 "[ ]" 1
47 1 12 PRO HA 1 13 PRO HD2 3.200 . 4.500 2.537 2.537 2.537 . 0 0 "[ ]" 1
48 1 16 PRO HA 1 17 PRO HD3 2.700 . 3.600 2.129 2.129 2.129 . 0 0 "[ ]" 1
49 1 16 PRO HA 1 16 PRO HB3 2.600 . 3.400 2.301 2.301 2.301 . 0 0 "[ ]" 1
50 2 45 TRP HE3 2 58 PRO HA 3.400 . 4.600 3.745 3.745 3.745 . 0 0 "[ ]" 1
51 1 13 PRO HB2 2 58 PRO HA 4.100 . 6.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
52 2 115 TRP HA 2 128 PRO HA 2.700 . 3.600 1.949 1.949 1.949 . 0 0 "[ ]" 1
53 1 13 PRO HA 2 45 TRP HZ2 3.300 . 3.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
54 1 13 PRO HA 1 14 PRO HD2 3.100 . 4.300 2.061 2.061 2.061 . 0 0 "[ ]" 1
55 2 86 ILE HA 2 101 GLU HA 3.600 . 5.200 4.150 4.150 4.150 . 0 0 "[ ]" 1
56 2 86 ILE HA 2 86 ILE HB 2.300 . 3.000 2.390 2.390 2.390 . 0 0 "[ ]" 1
57 2 86 ILE HA 2 101 GLU QB 3.800 . 5.600 5.539 5.539 5.539 . 0 0 "[ ]" 1
58 2 86 ILE HA 2 86 ILE MG 2.300 . 2.900 2.355 2.355 2.355 . 0 0 "[ ]" 1
59 2 16 ILE HA 2 17 ALA HA 2.700 . 6.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
60 2 16 ILE HA 2 16 ILE HB 2.500 . 3.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
61 2 90 THR HA 2 98 SER HA 2.700 . 3.600 2.974 2.974 2.974 . 0 0 "[ ]" 1
62 2 90 THR HA 2 98 SER HB2 3.000 . 4.200 2.538 2.538 2.538 . 0 0 "[ ]" 1
63 2 90 THR HA 2 98 SER HB3 3.100 . 4.300 4.255 4.255 4.255 . 0 0 "[ ]" 1
64 2 129 SER HA 2 129 SER HB3 2.900 . 4.000 2.381 2.381 2.381 . 0 0 "[ ]" 1
65 1 8 PRO HA 1 8 PRO HB3 2.800 . 3.800 2.323 2.323 2.323 . 0 0 "[ ]" 1
66 2 12 THR HA 2 36 GLU HA 2.500 . 3.300 2.670 2.670 2.670 . 0 0 "[ ]" 1
67 2 11 GLN HA 2 12 THR HA 4.300 . 6.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
68 2 12 THR HA 2 36 GLU HG3 3.500 . 5.000 3.022 3.022 3.022 . 0 0 "[ ]" 1
69 2 12 THR HA 2 36 GLU HG2 3.800 . 5.600 4.782 4.782 4.782 . 0 0 "[ ]" 1
70 2 43 SER HA 2 43 SER QB 2.600 . 3.400 2.169 2.169 2.169 . 0 0 "[ ]" 1
71 2 43 SER HA 2 130 MET HB2 3.400 . 6.000 5.254 5.254 5.254 . 0 0 "[ ]" 1
72 2 43 SER HA 2 130 MET HB3 4.200 . 6.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
73 2 129 SER HA 2 132 LEU HB2 4.300 . 6.000 5.718 5.718 5.718 . 0 0 "[ ]" 1
74 2 129 SER HA 2 129 SER HB2 2.900 . 3.900 2.539 2.539 2.539 . 0 0 "[ ]" 1
75 2 119 ARG HA 2 124 THR HA 2.100 . 2.700 1.871 1.871 1.871 . 0 0 "[ ]" 1
76 2 123 VAL HA 2 124 THR HA 4.200 . 6.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
77 2 119 ARG HB3 2 124 THR HA 4.100 . 6.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
78 2 119 ARG HB2 2 124 THR HA 2.900 . 4.000 2.438 2.438 2.438 . 0 0 "[ ]" 1
79 2 78 TYR HA 2 108 ILE HA 3.500 . 5.100 3.408 3.408 3.408 . 0 0 "[ ]" 1
80 2 108 ILE HA 2 124 THR HB 4.300 . 6.000 6.058 6.058 6.058 0.058 1 0 "[ ]" 1
81 2 108 ILE HA 2 124 THR MG 4.400 . 6.000 5.328 5.328 5.328 . 0 0 "[ ]" 1
82 2 129 SER HB3 2 132 LEU HG 4.300 . 6.000 5.799 5.799 5.799 . 0 0 "[ ]" 1
83 2 129 SER HB2 2 132 LEU HG 4.300 . 6.000 5.454 5.454 5.454 . 0 0 "[ ]" 1
84 2 97 VAL MG2 2 126 TYR HA 3.700 . 6.000 3.308 3.308 3.308 . 0 0 "[ ]" 1
85 2 84 VAL HA 2 104 ALA HA 2.200 . 2.800 1.919 1.919 1.919 . 0 0 "[ ]" 1
86 2 105 VAL HA 2 120 LYS HA 3.300 . 4.600 2.718 2.718 2.718 . 0 0 "[ ]" 1
87 2 105 VAL HA 2 105 VAL HB 2.600 . 3.400 2.336 2.336 2.336 . 0 0 "[ ]" 1
88 2 104 ALA MB 2 105 VAL HA 3.300 . 4.700 3.787 3.787 3.787 . 0 0 "[ ]" 1
89 2 99 LEU MD1 2 105 VAL HA 4.000 . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
90 2 60 SER HA 2 60 SER HB3 2.700 . 3.600 2.248 2.248 2.248 . 0 0 "[ ]" 1
91 2 60 SER HA 2 60 SER HB2 2.700 . 3.600 2.782 2.782 2.782 . 0 0 "[ ]" 1
92 2 60 SER HA 2 113 ASP HB3 3.500 . 5.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
93 2 59 ALA MB 2 60 SER HA 4.000 . 6.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
94 2 126 TYR HA 2 126 TYR QD 3.000 . 3.300 2.696 2.696 2.696 . 0 0 "[ ]" 1
95 2 117 VAL HA 2 126 TYR HA 2.700 . 3.600 2.605 2.605 2.605 . 0 0 "[ ]" 1
96 2 126 TYR HA 2 126 TYR HB3 3.000 . 4.200 2.683 2.683 2.683 . 0 0 "[ ]" 1
97 2 117 VAL MG1 2 126 TYR HA 3.900 . 5.800 4.304 4.304 4.304 . 0 0 "[ ]" 1
98 2 89 TYR HA 2 89 TYR QD 3.000 . 4.100 3.121 3.121 3.121 . 0 0 "[ ]" 1
99 2 89 TYR HA 2 89 TYR QE 4.200 . 5.800 4.865 4.865 4.865 . 0 0 "[ ]" 1
100 2 89 TYR HA 2 89 TYR HB2 2.700 . 3.600 2.389 2.389 2.389 . 0 0 "[ ]" 1
101 2 103 GLU HA 2 103 GLU HB3 2.300 . 3.000 2.380 2.380 2.380 . 0 0 "[ ]" 1
102 2 103 GLU HA 2 104 ALA MB 4.100 . 6.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
103 1 18 ALA MB 1 19 GLU HA 3.400 . 4.800 3.677 3.677 3.677 . 0 0 "[ ]" 1
104 1 19 GLU HA 1 19 GLU HG2 2.700 . 3.600 3.662 3.662 3.662 0.062 1 0 "[ ]" 1
105 1 19 GLU HA 1 19 GLU HB3 2.500 . 3.300 2.261 2.261 2.261 . 0 0 "[ ]" 1
106 1 19 GLU HA 1 19 GLU HB2 2.500 . 3.300 2.682 2.682 2.682 . 0 0 "[ ]" 1
107 2 100 LEU QD 2 101 GLU HA 4.100 . 6.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
108 2 101 GLU HA 2 101 GLU QG 2.500 . 3.300 2.196 2.196 2.196 . 0 0 "[ ]" 1
109 2 101 GLU HA 2 101 GLU QB 2.500 . 3.300 2.445 2.445 2.445 . 0 0 "[ ]" 1
110 2 118 ILE HA 2 118 ILE HB 2.800 . 3.800 2.237 2.237 2.237 . 0 0 "[ ]" 1
111 2 118 ILE HA 2 118 ILE HG13 3.700 . 5.400 3.368 3.368 3.368 . 0 0 "[ ]" 1
112 2 107 VAL MG2 2 118 ILE HA 3.400 . 4.800 3.399 3.399 3.399 . 0 0 "[ ]" 1
113 2 35 VAL HA 2 35 VAL HB 2.700 . 3.600 2.501 2.501 2.501 . 0 0 "[ ]" 1
114 2 35 VAL HA 2 35 VAL QG 2.600 . 3.500 2.288 2.288 2.288 . 0 0 "[ ]" 1
115 2 25 SER HA 2 56 TRP HD1 4.000 . 5.200 5.215 5.215 5.215 0.015 1 0 "[ ]" 1
116 2 25 SER HA 2 25 SER HB2 2.600 . 3.400 2.801 2.801 2.801 . 0 0 "[ ]" 1
117 2 19 TYR HA 2 19 TYR QD 3.200 . 4.500 3.046 3.046 3.046 . 0 0 "[ ]" 1
118 2 19 TYR HA 2 29 LEU HB2 4.000 . 6.000 5.435 5.435 5.435 . 0 0 "[ ]" 1
119 2 61 PHE HA 2 61 PHE HB3 3.000 . 4.100 2.711 2.711 2.711 . 0 0 "[ ]" 1
120 2 29 LEU MD2 2 61 PHE HA 3.300 . 6.000 5.070 5.070 5.070 . 0 0 "[ ]" 1
121 2 16 ILE MD 2 61 PHE HA 3.000 . 4.100 3.792 3.792 3.792 . 0 0 "[ ]" 1
122 1 10 SER HA 1 10 SER HB3 2.500 . 3.300 2.964 2.964 2.964 . 0 0 "[ ]" 1
123 1 10 SER HA 1 10 SER HB2 2.500 . 3.300 2.697 2.697 2.697 . 0 0 "[ ]" 1
124 2 47 PHE HA 2 47 PHE QD 3.200 . 3.800 2.594 2.594 2.594 . 0 0 "[ ]" 1
125 2 83 TYR QD 2 134 LYS HA 3.300 . 4.700 3.042 3.042 3.042 . 0 0 "[ ]" 1
126 2 83 TYR HA 2 134 LYS HA 2.600 . 3.400 2.826 2.826 2.826 . 0 0 "[ ]" 1
127 2 134 LYS HA 2 134 LYS QE 3.600 . 5.200 3.600 3.600 3.600 . 0 0 "[ ]" 1
128 2 134 LYS HA 2 134 LYS HB3 2.900 . 3.900 2.825 2.825 2.825 . 0 0 "[ ]" 1
129 2 83 TYR QE 2 134 LYS HA 3.400 . 4.900 3.297 3.297 3.297 . 0 0 "[ ]" 1
130 2 98 SER HA 2 98 SER HB2 2.700 . 3.600 2.248 2.248 2.248 . 0 0 "[ ]" 1
131 2 98 SER HA 2 98 SER HB3 2.700 . 3.600 2.819 2.819 2.819 . 0 0 "[ ]" 1
132 2 45 TRP HE3 2 57 ILE HA 3.900 . 5.800 3.634 3.634 3.634 . 0 0 "[ ]" 1
133 2 45 TRP HZ3 2 57 ILE HA 3.500 . 3.800 2.384 2.384 2.384 . 0 0 "[ ]" 1
134 2 57 ILE HA 2 57 ILE MG 2.900 . 3.900 1.958 1.958 1.958 . 0 0 "[ ]" 1
135 2 57 ILE HA 2 58 PRO HD3 2.800 . 3.800 1.879 1.879 1.879 . 0 0 "[ ]" 1
136 2 57 ILE HA 2 58 PRO HD2 3.200 . 4.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
137 2 48 CYS HA 2 48 CYS HB2 3.000 . 4.100 3.010 3.010 3.010 . 0 0 "[ ]" 1
138 2 35 VAL MG2 2 48 CYS HA 3.500 . 5.000 4.914 4.914 4.914 . 0 0 "[ ]" 1
139 2 115 TRP HA 2 116 TRP HD1 4.100 . 6.000 4.984 4.984 4.984 . 0 0 "[ ]" 1
140 2 115 TRP HA 2 115 TRP HE3 3.500 . 4.800 3.732 3.732 3.732 . 0 0 "[ ]" 1
141 2 115 TRP HA 2 115 TRP HB3 3.000 . 4.100 2.519 2.519 2.519 . 0 0 "[ ]" 1
142 2 112 LEU HA 2 112 LEU HB3 2.700 . 3.600 2.798 2.798 2.798 . 0 0 "[ ]" 1
143 2 112 LEU HA 2 112 LEU HB2 2.600 . 3.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
144 2 121 ASP HA 2 121 ASP HB3 2.300 . 2.900 2.935 2.935 2.935 0.035 1 0 "[ ]" 1
145 2 43 SER HA 2 130 MET HA 3.500 . 5.100 4.289 4.289 4.289 . 0 0 "[ ]" 1
146 2 130 MET HA 2 130 MET HG2 3.500 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
147 2 130 MET HA 2 130 MET HB2 2.600 . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
148 2 130 MET HA 2 130 MET HB3 2.700 . 3.600 2.322 2.322 2.322 . 0 0 "[ ]" 1
149 2 18 ASP HB2 2 30 SER HA 3.400 . 4.900 4.002 4.002 4.002 . 0 0 "[ ]" 1
150 2 41 SER HA 2 56 TRP HH2 3.900 . 6.000 5.897 5.897 5.897 . 0 0 "[ ]" 1
151 2 41 SER HA 2 41 SER HB3 2.900 . 3.900 3.001 3.001 3.001 . 0 0 "[ ]" 1
152 2 41 SER HA 2 41 SER HB2 2.500 . 3.300 2.622 2.622 2.622 . 0 0 "[ ]" 1
153 2 41 SER HA 2 42 GLU QB 3.700 . 5.400 4.127 4.127 4.127 . 0 0 "[ ]" 1
154 2 83 TYR HA 2 83 TYR QD 3.400 . 4.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
155 2 83 TYR HA 2 83 TYR QE 3.900 . 5.800 4.553 4.553 4.553 . 0 0 "[ ]" 1
156 2 83 TYR HA 2 134 LYS QE 3.500 . 5.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
157 2 83 TYR HA 2 134 LYS HB3 4.000 . 6.000 5.120 5.120 5.120 . 0 0 "[ ]" 1
158 2 83 TYR HA 2 84 VAL MG2 3.900 . 5.800 3.299 3.299 3.299 . 0 0 "[ ]" 1
159 2 83 TYR HA 2 107 VAL MG2 3.800 . 5.600 4.305 4.305 4.305 . 0 0 "[ ]" 1
160 2 83 TYR HA 2 132 LEU QD 4.000 . 6.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
161 2 83 TYR HA 2 134 LYS HB2 4.000 . 6.000 5.092 5.092 5.092 . 0 0 "[ ]" 1
162 2 13 TYR HA 2 13 TYR QD 3.100 . 3.800 3.084 3.084 3.084 . 0 0 "[ ]" 1
163 2 13 TYR HA 2 13 TYR HB3 2.800 . 3.800 2.615 2.615 2.615 . 0 0 "[ ]" 1
164 2 13 TYR HA 2 64 PRO HB2 4.500 . 6.000 5.216 5.216 5.216 . 0 0 "[ ]" 1
165 2 13 TYR HA 2 65 LEU HB3 3.400 . 4.800 2.742 2.742 2.742 . 0 0 "[ ]" 1
166 2 13 TYR HA 2 65 LEU HB2 3.000 . 4.100 3.003 3.003 3.003 . 0 0 "[ ]" 1
167 2 13 TYR HA 2 65 LEU QD 3.500 . 5.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
168 2 13 TYR HA 2 62 LEU MD1 4.000 . 6.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
169 2 115 TRP HH2 2 127 PHE HA 4.500 . 6.000 5.255 5.255 5.255 . 0 0 "[ ]" 1
170 2 115 TRP HE3 2 127 PHE HA 3.400 . 4.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
171 2 19 TYR QE 2 21 LYS HA 2.900 . 6.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
172 2 21 LYS HA 2 28 ALA HA 3.900 . 5.800 4.269 4.269 4.269 . 0 0 "[ ]" 1
173 2 21 LYS HA 2 21 LYS QD 3.700 . 5.400 3.506 3.506 3.506 . 0 0 "[ ]" 1
174 2 21 LYS HA 2 21 LYS HB3 2.500 . 3.300 2.529 2.529 2.529 . 0 0 "[ ]" 1
175 2 21 LYS HA 2 21 LYS HB2 2.800 . 3.800 3.018 3.018 3.018 . 0 0 "[ ]" 1
176 2 33 ASP HA 2 33 ASP QB 2.600 . 3.500 2.533 2.533 2.533 . 0 0 "[ ]" 1
177 2 15 ALA MB 2 33 ASP HA 3.600 . 5.200 4.993 4.993 4.993 . 0 0 "[ ]" 1
178 2 65 LEU HA 2 65 LEU HB3 2.400 . 3.100 3.008 3.008 3.008 . 0 0 "[ ]" 1
179 2 65 LEU HA 2 65 LEU HB2 2.400 . 3.100 2.383 2.383 2.383 . 0 0 "[ ]" 1
180 2 65 LEU HA 2 65 LEU QD 2.500 . 3.300 2.157 2.157 2.157 . 0 0 "[ ]" 1
181 1 18 ALA HA 1 21 ARG HA 4.300 . 6.000 5.642 5.642 5.642 . 0 0 "[ ]" 1
182 1 21 ARG HA 1 21 ARG HD2 3.700 . 5.400 4.772 4.772 4.772 . 0 0 "[ ]" 1
183 1 21 ARG HA 1 21 ARG HB3 2.200 . 2.800 2.229 2.229 2.229 . 0 0 "[ ]" 1
184 1 21 ARG HA 1 21 ARG QG 2.700 . 3.600 3.127 3.127 3.127 . 0 0 "[ ]" 1
185 2 42 GLU HG3 2 111 LEU HA 3.800 . 6.000 6.098 6.098 6.098 0.098 1 0 "[ ]" 1
186 2 111 LEU HA 2 111 LEU HB3 2.900 . 3.900 2.239 2.239 2.239 . 0 0 "[ ]" 1
187 2 45 TRP HA 2 56 TRP HE3 4.200 . 6.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
188 2 45 TRP HA 2 58 PRO HA 3.000 . 4.100 3.625 3.625 3.625 . 0 0 "[ ]" 1
189 2 45 TRP HA 2 45 TRP HE3 3.200 . 3.900 2.533 2.533 2.533 . 0 0 "[ ]" 1
190 2 35 VAL HA 2 50 MET HA 3.200 . 4.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
191 2 48 CYS HB2 2 50 MET HA 3.000 . 6.000 5.924 5.924 5.924 . 0 0 "[ ]" 1
192 2 50 MET HA 2 50 MET HB3 2.600 . 3.400 2.629 2.629 2.629 . 0 0 "[ ]" 1
193 2 50 MET HA 2 50 MET ME 4.000 . 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
194 2 50 MET HA 2 50 MET HB2 2.600 . 3.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
195 2 39 GLU HA 2 39 GLU QG 2.600 . 3.400 2.178 2.178 2.178 . 0 0 "[ ]" 1
196 2 39 GLU HA 2 39 GLU HB3 2.500 . 3.300 2.764 2.764 2.764 . 0 0 "[ ]" 1
197 2 39 GLU HA 2 40 LYS HG3 3.900 . 5.800 3.428 3.428 3.428 . 0 0 "[ ]" 1
198 2 40 LYS HA 2 46 TRP HD1 3.600 . 4.100 3.147 3.147 3.147 . 0 0 "[ ]" 1
199 2 40 LYS HA 2 46 TRP HA 3.100 . 4.300 2.759 2.759 2.759 . 0 0 "[ ]" 1
200 2 40 LYS HA 2 40 LYS HE3 4.000 . 6.000 4.929 4.929 4.929 . 0 0 "[ ]" 1
201 2 40 LYS HA 2 40 LYS HG2 3.500 . 5.100 3.219 3.219 3.219 . 0 0 "[ ]" 1
202 2 49 GLN HB2 2 54 ARG HA 4.500 . 6.000 4.287 4.287 4.287 . 0 0 "[ ]" 1
203 2 54 ARG HA 2 54 ARG HB3 2.500 . 3.300 2.456 2.456 2.456 . 0 0 "[ ]" 1
204 2 54 ARG HA 2 54 ARG HB2 2.800 . 3.800 2.399 2.399 2.399 . 0 0 "[ ]" 1
205 2 87 LYS HA 2 101 GLU HA 3.200 . 4.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
206 2 87 LYS HA 2 101 GLU QG 2.700 . 3.600 3.423 3.423 3.423 . 0 0 "[ ]" 1
207 2 87 LYS HA 2 101 GLU QB 3.300 . 4.600 4.328 4.328 4.328 . 0 0 "[ ]" 1
208 2 87 LYS HA 2 87 LYS HB3 2.300 . 2.900 2.159 2.159 2.159 . 0 0 "[ ]" 1
209 2 87 LYS HA 2 87 LYS HB2 2.700 . 3.600 3.024 3.024 3.024 . 0 0 "[ ]" 1
210 1 18 ALA HA 1 21 ARG HD3 2.800 . 3.800 2.050 2.050 2.050 . 0 0 "[ ]" 1
211 1 18 ALA HA 1 21 ARG HB2 3.000 . 4.200 4.147 4.147 4.147 . 0 0 "[ ]" 1
212 2 96 GLU HA 2 126 TYR HB2 2.900 . 3.900 1.911 1.911 1.911 . 0 0 "[ ]" 1
213 2 96 GLU HA 2 115 TRP HE3 4.000 . 5.200 4.181 4.181 4.181 . 0 0 "[ ]" 1
214 2 91 ALA MB 2 96 GLU HA 3.600 . 5.200 4.713 4.713 4.713 . 0 0 "[ ]" 1
215 2 116 TRP HA 2 116 TRP HD1 2.600 . 2.800 2.073 2.073 2.073 . 0 0 "[ ]" 1
216 2 111 LEU MD2 2 116 TRP HA 4.400 . 6.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
217 2 46 TRP QB 2 59 ALA HA 3.800 . 5.600 3.768 3.768 3.768 . 0 0 "[ ]" 1
218 2 59 ALA HA 2 62 LEU HB3 4.400 . 6.000 3.363 3.363 3.363 . 0 0 "[ ]" 1
219 2 59 ALA HA 2 62 LEU HB2 3.000 . 4.200 2.155 2.155 2.155 . 0 0 "[ ]" 1
220 2 119 ARG HA 2 119 ARG HD2 4.300 . 6.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
221 2 119 ARG HA 2 119 ARG HB2 2.400 . 3.100 2.199 2.199 2.199 . 0 0 "[ ]" 1
222 2 107 VAL MG2 2 116 TRP HA 4.200 . 6.000 6.008 6.008 6.008 0.008 1 0 "[ ]" 1
223 2 36 GLU HA 2 36 GLU HG3 2.600 . 3.500 2.102 2.102 2.102 . 0 0 "[ ]" 1
224 2 36 GLU HA 2 36 GLU HG2 2.900 . 3.900 3.418 3.418 3.418 . 0 0 "[ ]" 1
225 2 36 GLU HA 2 36 GLU HB3 3.000 . 4.100 2.721 2.721 2.721 . 0 0 "[ ]" 1
226 2 36 GLU HA 2 37 VAL MG2 3.700 . 5.500 3.608 3.608 3.608 . 0 0 "[ ]" 1
227 2 106 GLU HA 2 106 GLU HB2 2.800 . 3.700 2.658 2.658 2.658 . 0 0 "[ ]" 1
228 2 105 VAL MG2 2 106 GLU HA 4.100 . 6.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
229 2 106 GLU HA 2 106 GLU HB3 2.800 . 3.800 2.915 2.915 2.915 . 0 0 "[ ]" 1
230 2 109 HIS HA 2 109 HIS HB2 3.000 . 4.100 2.506 2.506 2.506 . 0 0 "[ ]" 1
231 2 76 PRO HA 2 109 HIS HA 2.900 . 4.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
232 2 133 GLN HA 2 133 GLN HB3 2.600 . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 1
233 2 133 GLN HA 2 134 LYS HB3 4.600 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
234 2 86 ILE MD 2 133 GLN HA 3.400 . 4.900 3.516 3.516 3.516 . 0 0 "[ ]" 1
235 2 133 GLN HA 2 134 LYS HB2 4.500 . 6.000 4.786 4.786 4.786 . 0 0 "[ ]" 1
236 2 20 GLU HA 2 20 GLU QG 2.900 . 4.000 2.368 2.368 2.368 . 0 0 "[ ]" 1
237 2 20 GLU HA 2 20 GLU HB3 2.400 . 3.100 2.585 2.585 2.585 . 0 0 "[ ]" 1
238 2 60 SER HB2 2 113 ASP HA 4.200 . 6.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
239 2 113 ASP HA 2 114 GLY HA2 3.700 . 5.400 4.969 4.969 4.969 . 0 0 "[ ]" 1
240 2 113 ASP HA 2 113 ASP HB2 2.900 . 3.900 2.587 2.587 2.587 . 0 0 "[ ]" 1
241 2 110 LYS HA 2 110 LYS HG2 4.000 . 6.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
242 2 110 LYS HA 2 116 TRP HD1 3.900 . 4.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
243 2 110 LYS HA 2 116 TRP HA 3.900 . 5.800 3.707 3.707 3.707 . 0 0 "[ ]" 1
244 2 110 LYS HA 2 110 LYS HB3 2.700 . 3.600 2.292 2.292 2.292 . 0 0 "[ ]" 1
245 2 110 LYS HA 2 110 LYS HG3 2.900 . 4.000 2.825 2.825 2.825 . 0 0 "[ ]" 1
246 2 46 TRP HA 2 56 TRP HE3 3.500 . 4.700 3.314 3.314 3.314 . 0 0 "[ ]" 1
247 2 46 TRP HA 2 46 TRP QB 3.000 . 4.100 2.480 2.480 2.480 . 0 0 "[ ]" 1
248 2 46 TRP HA 2 46 TRP HD1 2.800 . 2.800 2.121 2.121 2.121 . 0 0 "[ ]" 1
249 2 46 TRP HA 2 56 TRP HH2 3.500 . 5.100 2.767 2.767 2.767 . 0 0 "[ ]" 1
250 2 85 ALA HA 2 132 LEU HA 2.800 . 3.800 2.695 2.695 2.695 . 0 0 "[ ]" 1
251 2 83 TYR QB 2 132 LEU HA 4.300 . 6.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
252 2 132 LEU HA 2 132 LEU HB2 2.800 . 3.800 2.652 2.652 2.652 . 0 0 "[ ]" 1
253 2 15 ALA HA 2 62 LEU HA 2.800 . 3.800 2.353 2.353 2.353 . 0 0 "[ ]" 1
254 2 49 GLN HA 2 50 MET HB2 2.900 . 6.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
255 2 49 GLN HA 2 54 ARG HB3 2.400 . 3.100 1.801 1.801 1.801 . 0 0 "[ ]" 1
256 2 49 GLN HA 2 54 ARG HB2 3.600 . 5.200 2.400 2.400 2.400 . 0 0 "[ ]" 1
257 2 35 VAL MG1 2 49 GLN HA 3.600 . 5.300 5.211 5.211 5.211 . 0 0 "[ ]" 1
258 2 109 HIS HA 2 109 HIS HD2 2.800 . 3.300 2.378 2.378 2.378 . 0 0 "[ ]" 1
259 2 29 LEU HA 2 33 ASP QB 3.800 . 5.600 4.070 4.070 4.070 . 0 0 "[ ]" 1
260 2 99 LEU HA 2 103 GLU HB3 3.900 . 5.800 3.598 3.598 3.598 . 0 0 "[ ]" 1
261 2 99 LEU HA 2 99 LEU HB2 3.000 . 4.100 2.949 2.949 2.949 . 0 0 "[ ]" 1
262 2 99 LEU HA 2 99 LEU HG 3.000 . 4.100 2.367 2.367 2.367 . 0 0 "[ ]" 1
263 2 99 LEU HA 2 99 LEU MD2 3.500 . 5.100 3.718 3.718 3.718 . 0 0 "[ ]" 1
264 2 14 ARG HA 2 34 VAL HA 2.500 . 3.300 2.452 2.452 2.452 . 0 0 "[ ]" 1
265 2 14 ARG HA 2 14 ARG HD3 4.500 . 6.000 5.029 5.029 5.029 . 0 0 "[ ]" 1
266 2 14 ARG HA 2 34 VAL HB 3.900 . 5.800 3.622 3.622 3.622 . 0 0 "[ ]" 1
267 2 14 ARG HA 2 14 ARG HB2 2.500 . 3.300 2.327 2.327 2.327 . 0 0 "[ ]" 1
268 2 14 ARG HA 2 34 VAL MG1 3.400 . 4.900 4.804 4.804 4.804 . 0 0 "[ ]" 1
269 2 14 ARG HA 2 34 VAL MG2 3.400 . 4.800 3.904 3.904 3.904 . 0 0 "[ ]" 1
270 2 14 ARG HA 2 65 LEU QD 3.300 . 4.600 3.466 3.466 3.466 . 0 0 "[ ]" 1
271 2 131 TYR HA 2 131 TYR QE 3.900 . 4.800 4.356 4.356 4.356 . 0 0 "[ ]" 1
272 2 131 TYR HA 2 131 TYR QD 2.900 . 3.000 2.658 2.658 2.658 . 0 0 "[ ]" 1
273 1 7 GLN HA 2 56 TRP HH2 4.100 . 6.000 5.157 5.157 5.157 . 0 0 "[ ]" 1
274 1 7 GLN HA 2 56 TRP HZ2 3.500 . 4.700 4.046 4.046 4.046 . 0 0 "[ ]" 1
275 1 7 GLN HA 1 8 PRO QD 2.200 . 2.800 2.017 2.017 2.017 . 0 0 "[ ]" 1
276 1 7 GLN HA 1 7 GLN HB3 2.900 . 4.000 2.579 2.579 2.579 . 0 0 "[ ]" 1
277 1 7 GLN HA 1 7 GLN HB2 2.500 . 3.300 2.335 2.335 2.335 . 0 0 "[ ]" 1
278 1 7 GLN HA 1 8 PRO QG 4.200 . 6.000 3.981 3.981 3.981 . 0 0 "[ ]" 1
279 1 6 LYS HD3 1 7 GLN HA 3.500 . 6.000 5.577 5.577 5.577 . 0 0 "[ ]" 1
280 2 91 ALA HA 2 96 GLU QB 3.000 . 4.100 2.828 2.828 2.828 . 0 0 "[ ]" 1
281 2 89 TYR QE 2 91 ALA HA 2.700 . 3.100 2.219 2.219 2.219 . 0 0 "[ ]" 1
282 1 15 ARG HA 1 16 PRO HD3 3.000 . 4.100 2.028 2.028 2.028 . 0 0 "[ ]" 1
283 1 15 ARG HA 1 16 PRO HD2 3.400 . 4.800 2.854 2.854 2.854 . 0 0 "[ ]" 1
284 1 15 ARG HA 1 15 ARG HG3 4.200 . 6.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
285 2 63 GLU HA 2 64 PRO HD2 3.200 . 4.500 1.917 1.917 1.917 . 0 0 "[ ]" 1
286 2 63 GLU HA 2 64 PRO HD3 2.500 . 3.300 2.638 2.638 2.638 . 0 0 "[ ]" 1
287 2 63 GLU HA 2 63 GLU HB2 2.900 . 3.900 2.364 2.364 2.364 . 0 0 "[ ]" 1
288 2 63 GLU HA 2 63 GLU HB3 2.800 . 3.800 3.011 3.011 3.011 . 0 0 "[ ]" 1
289 2 95 ASP HA 2 95 ASP HB3 2.700 . 3.600 2.253 2.253 2.253 . 0 0 "[ ]" 1
290 2 95 ASP HA 2 95 ASP HB2 3.000 . 4.100 2.934 2.934 2.934 . 0 0 "[ ]" 1
291 2 18 ASP HA 2 30 SER HA 2.600 . 3.400 2.813 2.813 2.813 . 0 0 "[ ]" 1
292 2 18 ASP HA 2 18 ASP HB2 2.700 . 3.600 2.454 2.454 2.454 . 0 0 "[ ]" 1
293 2 18 ASP HA 2 18 ASP HB3 2.900 . 3.900 3.028 3.028 3.028 . 0 0 "[ ]" 1
294 2 100 LEU HA 2 100 LEU QD 2.400 . 3.100 1.997 1.997 1.997 . 0 0 "[ ]" 1
295 1 17 PRO HB2 1 20 ALA HA 4.200 . 6.000 5.366 5.366 5.366 . 0 0 "[ ]" 1
296 1 20 ALA HA 2 16 ILE MD 3.100 . 4.300 3.117 3.117 3.117 . 0 0 "[ ]" 1
297 2 15 ALA HA 2 29 LEU MD2 3.400 . 4.900 3.452 3.452 3.452 . 0 0 "[ ]" 1
298 2 15 ALA HA 2 16 ILE MG 3.400 . 4.800 3.441 3.441 3.441 . 0 0 "[ ]" 1
299 2 104 ALA HA 2 105 VAL MG1 3.700 . 5.400 3.052 3.052 3.052 . 0 0 "[ ]" 1
300 2 20 GLU HA 2 28 ALA HA 3.100 . 4.300 2.644 2.644 2.644 . 0 0 "[ ]" 1
301 2 88 ALA HA 2 101 GLU HA 3.500 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
302 2 88 ALA HA 2 101 GLU QB 4.100 . 6.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
303 1 11 ASN HA 1 12 PRO HD3 2.900 . 4.000 2.045 2.045 2.045 . 0 0 "[ ]" 1
304 1 11 ASN HA 1 12 PRO HD2 2.500 . 3.300 2.386 2.386 2.386 . 0 0 "[ ]" 1
305 1 11 ASN HA 1 11 ASN HB3 2.600 . 3.400 2.224 2.224 2.224 . 0 0 "[ ]" 1
306 1 11 ASN HA 1 12 PRO HG3 4.400 . 6.000 4.239 4.239 4.239 . 0 0 "[ ]" 1
307 1 11 ASN HA 1 12 PRO HG2 4.500 . 6.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
308 1 11 ASN HB3 1 12 PRO HD3 4.300 . 6.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
309 2 29 LEU MD1 2 58 PRO HD3 4.100 . 6.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
310 2 57 ILE HB 2 58 PRO HD2 3.000 . 4.100 2.829 2.829 2.829 . 0 0 "[ ]" 1
311 2 58 PRO HB3 2 58 PRO HD2 4.100 . 6.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
312 1 15 ARG HB2 1 16 PRO HD3 3.900 . 5.800 4.325 4.325 4.325 . 0 0 "[ ]" 1
313 1 16 PRO HB3 1 17 PRO HD3 3.400 . 4.800 3.070 3.070 3.070 . 0 0 "[ ]" 1
314 1 16 PRO HB2 1 17 PRO HD3 3.900 . 5.800 3.992 3.992 3.992 . 0 0 "[ ]" 1
315 1 15 ARG HB2 1 16 PRO HD2 4.100 . 6.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
316 1 16 PRO HA 1 17 PRO HD2 3.100 . 4.300 2.883 2.883 2.883 . 0 0 "[ ]" 1
317 1 17 PRO HB3 1 17 PRO HD2 4.200 . 6.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
318 1 16 PRO HB3 1 17 PRO HD2 3.100 . 4.300 2.363 2.363 2.363 . 0 0 "[ ]" 1
319 1 16 PRO HB2 1 17 PRO HD2 3.100 . 4.300 3.139 3.139 3.139 . 0 0 "[ ]" 1
320 2 115 TRP HE3 2 128 PRO HD3 3.300 . 3.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
321 2 127 PHE HA 2 128 PRO HD3 2.800 . 3.800 2.121 2.121 2.121 . 0 0 "[ ]" 1
322 2 127 PHE HB3 2 128 PRO HD3 4.500 . 6.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
323 2 128 PRO HB3 2 128 PRO HD2 3.600 . 5.200 2.891 2.891 2.891 . 0 0 "[ ]" 1
324 2 127 PHE HA 2 128 PRO HD2 3.300 . 4.600 2.486 2.486 2.486 . 0 0 "[ ]" 1
325 2 29 LEU HB2 2 57 ILE MD 3.700 . 5.400 4.596 4.596 4.596 . 0 0 "[ ]" 1
326 2 19 TYR HB3 2 29 LEU HB2 3.300 . 4.700 2.921 2.921 2.921 . 0 0 "[ ]" 1
327 2 97 VAL MG2 2 125 GLY HA3 3.200 . 4.500 1.949 1.949 1.949 . 0 0 "[ ]" 1
328 2 118 ILE HG12 2 125 GLY HA2 3.800 . 5.600 5.660 5.660 5.660 0.060 1 0 "[ ]" 1
329 2 97 VAL MG2 2 125 GLY HA2 3.600 . 5.300 3.255 3.255 3.255 . 0 0 "[ ]" 1
330 2 83 TYR QB 2 83 TYR QD 3.400 . 3.400 2.171 2.171 2.171 . 0 0 "[ ]" 1
331 2 83 TYR HA 2 83 TYR QB 3.300 . 4.600 2.474 2.474 2.474 . 0 0 "[ ]" 1
332 2 83 TYR QB 2 132 LEU HB2 3.300 . 4.700 2.529 2.529 2.529 . 0 0 "[ ]" 1
333 2 14 ARG HB2 2 32 GLY HA2 4.000 . 6.000 5.521 5.521 5.521 . 0 0 "[ ]" 1
334 2 114 GLY HA2 2 130 MET HG2 3.700 . 6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1
335 2 47 PHE QE 2 55 GLY HA3 4.400 . 6.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
336 2 27 MET HB2 2 55 GLY HA3 3.500 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
337 2 47 PHE QE 2 55 GLY HA2 3.400 . 6.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
338 2 14 ARG HD2 2 65 LEU HB3 2.800 . 6.000 5.547 5.547 5.547 . 0 0 "[ ]" 1
339 2 14 ARG HA 2 14 ARG HD2 4.500 . 6.000 4.358 4.358 4.358 . 0 0 "[ ]" 1
340 2 14 ARG HD2 2 63 GLU HB3 3.800 . 5.600 5.626 5.626 5.626 0.026 1 0 "[ ]" 1
341 1 21 ARG HB3 1 21 ARG HD2 2.600 . 3.400 2.720 2.720 2.720 . 0 0 "[ ]" 1
342 1 18 ALA HA 1 21 ARG HD2 2.700 . 3.600 3.620 3.620 3.620 0.020 1 0 "[ ]" 1
343 1 21 ARG HA 1 21 ARG HD3 3.800 . 5.600 5.413 5.413 5.413 . 0 0 "[ ]" 1
344 1 21 ARG HB3 1 21 ARG HD3 2.900 . 4.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
345 1 21 ARG HD3 1 21 ARG QG 2.600 . 3.400 2.172 2.172 2.172 . 0 0 "[ ]" 1
346 2 65 LEU HB3 2 65 LEU QD 2.300 . 2.900 2.346 2.346 2.346 . 0 0 "[ ]" 1
347 2 65 LEU HB2 2 65 LEU QD 2.500 . 3.300 2.034 2.034 2.034 . 0 0 "[ ]" 1
348 2 87 LYS HA 2 87 LYS HE3 3.400 . 4.900 4.874 4.874 4.874 . 0 0 "[ ]" 1
349 2 87 LYS HE2 2 131 TYR QD 3.700 . 6.000 5.306 5.306 5.306 . 0 0 "[ ]" 1
350 2 87 LYS HB3 2 87 LYS HE2 2.200 . 2.800 2.073 2.073 2.073 . 0 0 "[ ]" 1
351 2 87 LYS HB2 2 87 LYS HE2 3.000 . 4.100 4.105 4.105 4.105 0.005 1 0 "[ ]" 1
352 1 6 LYS QE 2 38 VAL MG2 3.200 . 4.500 3.528 3.528 3.528 . 0 0 "[ ]" 1
353 2 57 ILE HB 2 58 PRO HD3 3.800 . 5.600 3.387 3.387 3.387 . 0 0 "[ ]" 1
354 2 35 VAL HB 2 57 ILE HB 2.900 . 6.000 6.026 6.026 6.026 0.026 1 0 "[ ]" 1
355 2 57 ILE HB 2 58 PRO HG2 3.600 . 5.300 5.093 5.093 5.093 . 0 0 "[ ]" 1
356 1 6 LYS QE 2 47 PHE QE 3.200 . 4.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
357 1 6 LYS QE 2 47 PHE QD 3.700 . 5.400 3.920 3.920 3.920 . 0 0 "[ ]" 1
358 1 6 LYS HA 1 6 LYS QE 3.700 . 5.400 3.971 3.971 3.971 . 0 0 "[ ]" 1
359 1 6 LYS HB3 1 6 LYS QE 3.200 . 4.500 4.285 4.285 4.285 . 0 0 "[ ]" 1
360 1 6 LYS HB2 1 6 LYS QE 3.200 . 4.500 3.933 3.933 3.933 . 0 0 "[ ]" 1
361 1 6 LYS QD 1 6 LYS QE 2.000 . 2.500 1.966 1.966 1.966 . 0 0 "[ ]" 1
362 2 110 LYS HB2 2 110 LYS QE 3.700 . 5.400 3.819 3.819 3.819 . 0 0 "[ ]" 1
363 2 110 LYS QE 2 110 LYS HG2 2.800 . 3.800 2.290 2.290 2.290 . 0 0 "[ ]" 1
364 2 83 TYR QE 2 110 LYS QE 2.600 . 6.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
365 2 110 LYS QE 2 110 LYS HG3 3.000 . 4.100 2.897 2.897 2.897 . 0 0 "[ ]" 1
366 2 113 ASP HB3 2 115 TRP HB2 3.500 . 6.000 6.008 6.008 6.008 0.008 1 0 "[ ]" 1
367 2 60 SER HB2 2 113 ASP HB3 4.500 . 6.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
368 2 60 SER HB2 2 113 ASP HB2 3.800 . 5.600 3.788 3.788 3.788 . 0 0 "[ ]" 1
369 1 11 ASN HB3 1 12 PRO HD2 3.200 . 4.500 3.392 3.392 3.392 . 0 0 "[ ]" 1
370 1 11 ASN HB3 1 12 PRO HG3 4.700 . 6.000 6.044 6.044 6.044 0.044 1 0 "[ ]" 1
371 1 11 ASN HB3 1 12 PRO HG2 4.500 . 6.000 5.683 5.683 5.683 . 0 0 "[ ]" 1
372 1 11 ASN HB2 1 12 PRO HD3 3.800 . 5.600 4.413 4.413 4.413 . 0 0 "[ ]" 1
373 1 11 ASN HB2 1 12 PRO HD2 3.200 . 4.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
374 1 11 ASN HA 1 11 ASN HB2 3.000 . 4.100 2.842 2.842 2.842 . 0 0 "[ ]" 1
375 1 11 ASN HB2 1 12 PRO HG3 4.400 . 6.000 6.075 6.075 6.075 0.075 1 0 "[ ]" 1
376 2 108 ILE HA 2 108 ILE HB 2.900 . 4.000 3.007 3.007 3.007 . 0 0 "[ ]" 1
377 2 108 ILE HB 2 124 THR MG 3.500 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
378 2 100 LEU HA 2 103 GLU HG3 4.500 . 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
379 2 103 GLU HA 2 103 GLU HG3 3.000 . 4.100 3.716 3.716 3.716 . 0 0 "[ ]" 1
380 2 103 GLU HB2 2 103 GLU HG3 2.600 . 3.500 2.371 2.371 2.371 . 0 0 "[ ]" 1
381 2 100 LEU QB 2 103 GLU HG3 2.800 . 3.800 2.286 2.286 2.286 . 0 0 "[ ]" 1
382 2 99 LEU MD1 2 103 GLU HG3 3.700 . 5.400 4.843 4.843 4.843 . 0 0 "[ ]" 1
383 2 86 ILE HB 2 131 TYR HA 4.400 . 6.000 5.600 5.600 5.600 . 0 0 "[ ]" 1
384 2 86 ILE HB 2 86 ILE QG 2.900 . 3.900 2.511 2.511 2.511 . 0 0 "[ ]" 1
385 2 86 ILE HB 2 86 ILE MD 2.100 . 2.600 1.837 1.837 1.837 . 0 0 "[ ]" 1
386 2 99 LEU HA 2 103 GLU HG2 4.800 . 6.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
387 2 103 GLU HA 2 103 GLU HG2 2.400 . 3.100 2.869 2.869 2.869 . 0 0 "[ ]" 1
388 2 103 GLU HB2 2 103 GLU HG2 2.400 . 3.100 2.491 2.491 2.491 . 0 0 "[ ]" 1
389 2 100 LEU QB 2 103 GLU HG2 2.700 . 3.600 2.269 2.269 2.269 . 0 0 "[ ]" 1
390 2 99 LEU MD2 2 103 GLU HG2 3.100 . 6.000 5.095 5.095 5.095 . 0 0 "[ ]" 1
391 2 42 GLU HG3 2 116 TRP HZ2 3.100 . 4.300 2.510 2.510 2.510 . 0 0 "[ ]" 1
392 2 42 GLU HG3 2 116 TRP HH2 4.600 . 6.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
393 2 42 GLU HA 2 42 GLU HG3 2.500 . 3.300 2.428 2.428 2.428 . 0 0 "[ ]" 1
394 2 42 GLU QB 2 42 GLU HG3 2.400 . 3.100 2.528 2.528 2.528 . 0 0 "[ ]" 1
395 2 42 GLU HG2 2 116 TRP HZ2 2.800 . 3.700 1.874 1.874 1.874 0.026 1 0 "[ ]" 1
396 2 42 GLU HA 2 42 GLU HG2 3.000 . 4.100 3.614 3.614 3.614 . 0 0 "[ ]" 1
397 2 42 GLU QB 2 42 GLU HG2 2.200 . 2.800 2.155 2.155 2.155 . 0 0 "[ ]" 1
398 2 42 GLU HG2 2 116 TRP HH2 3.900 . 4.000 3.158 3.158 3.158 . 0 0 "[ ]" 1
399 1 19 GLU HA 1 19 GLU HG3 2.600 . 3.500 3.565 3.565 3.565 0.065 1 0 "[ ]" 1
400 1 19 GLU HB2 1 19 GLU HG3 2.200 . 2.800 2.646 2.646 2.646 . 0 0 "[ ]" 1
401 1 19 GLU HG3 1 20 ALA MB 3.400 . 4.900 3.597 3.597 3.597 . 0 0 "[ ]" 1
402 1 19 GLU HG2 2 16 ILE MD 3.600 . 5.200 5.022 5.022 5.022 . 0 0 "[ ]" 1
403 2 105 VAL HB 2 118 ILE HA 4.200 . 6.000 6.020 6.020 6.020 0.020 1 0 "[ ]" 1
404 2 105 VAL HB 2 119 ARG QG 2.900 . 6.000 6.169 6.169 6.169 0.169 1 0 "[ ]" 1
405 2 105 VAL HB 2 118 ILE MG 3.900 . 5.800 5.347 5.347 5.347 . 0 0 "[ ]" 1
406 2 99 LEU MD2 2 105 VAL HB 4.300 . 6.000 2.093 2.093 2.093 . 0 0 "[ ]" 1
407 2 93 GLU HA 2 93 GLU HG3 3.100 . 4.300 3.668 3.668 3.668 . 0 0 "[ ]" 1
408 2 92 VAL MG1 2 93 GLU HG3 2.900 . 3.900 3.887 3.887 3.887 . 0 0 "[ ]" 1
409 2 92 VAL MG1 2 93 GLU HG2 3.200 . 4.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
410 2 93 GLU HA 2 93 GLU HG2 2.600 . 3.500 2.436 2.436 2.436 . 0 0 "[ ]" 1
411 2 92 VAL MG2 2 93 GLU HG2 2.700 . 6.000 4.800 4.800 4.800 . 0 0 "[ ]" 1
412 2 84 VAL HA 2 84 VAL HB 2.100 . 2.700 2.616 2.616 2.616 . 0 0 "[ ]" 1
413 2 84 VAL HB 2 104 ALA HA 3.300 . 4.700 3.838 3.838 3.838 . 0 0 "[ ]" 1
414 2 84 VAL HB 2 102 GLY HA2 4.000 . 6.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
415 2 87 LYS HB3 2 131 TYR QE 3.600 . 5.200 3.559 3.559 3.559 . 0 0 "[ ]" 1
416 2 87 LYS HB3 2 131 TYR QD 3.700 . 5.400 3.398 3.398 3.398 . 0 0 "[ ]" 1
417 2 87 LYS HA 2 87 LYS HB3 2.500 . 3.300 2.511 2.511 2.511 . 0 0 "[ ]" 1
418 2 87 LYS HB3 2 131 TYR HB3 4.000 . 6.000 4.351 4.351 4.351 . 0 0 "[ ]" 1
419 2 87 LYS HB3 2 87 LYS HE2 3.200 . 4.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
420 2 87 LYS HB3 2 87 LYS HD3 2.600 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
421 2 87 LYS HB2 2 131 TYR QD 3.300 . 4.700 2.724 2.724 2.724 . 0 0 "[ ]" 1
422 2 87 LYS HB2 2 131 TYR HA 3.200 . 4.500 2.584 2.584 2.584 . 0 0 "[ ]" 1
423 2 109 HIS HB2 2 117 VAL MG1 4.100 . 6.000 3.180 3.180 3.180 . 0 0 "[ ]" 1
424 2 63 GLU HA 2 63 GLU HG3 3.400 . 4.900 3.001 3.001 3.001 . 0 0 "[ ]" 1
425 2 63 GLU HG3 2 64 PRO HD3 3.700 . 5.500 4.632 4.632 4.632 . 0 0 "[ ]" 1
426 2 14 ARG HB2 2 63 GLU HG3 3.700 . 6.000 5.750 5.750 5.750 . 0 0 "[ ]" 1
427 2 63 GLU HA 2 63 GLU HG2 4.000 . 6.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
428 2 16 ILE MG 2 63 GLU HG2 2.900 . 3.900 2.728 2.728 2.728 . 0 0 "[ ]" 1
429 2 97 VAL HA 2 97 VAL HB 3.000 . 4.100 2.925 2.925 2.925 . 0 0 "[ ]" 1
430 2 97 VAL HB 2 127 PHE HB3 4.200 . 6.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
431 2 97 VAL HB 2 127 PHE HB2 2.800 . 3.800 3.479 3.479 3.479 . 0 0 "[ ]" 1
432 2 97 VAL HB 2 118 ILE HG13 4.000 . 6.000 4.077 4.077 4.077 . 0 0 "[ ]" 1
433 2 14 ARG HB3 2 34 VAL HA 4.300 . 6.000 5.191 5.191 5.191 . 0 0 "[ ]" 1
434 2 14 ARG HB2 2 14 ARG HD3 3.400 . 4.900 3.509 3.509 3.509 . 0 0 "[ ]" 1
435 2 14 ARG HB2 2 63 GLU HG2 4.400 . 6.000 6.010 6.010 6.010 0.010 1 0 "[ ]" 1
436 2 14 ARG HB2 2 34 VAL MG1 3.500 . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 1
437 2 14 ARG HB2 2 65 LEU QD 2.900 . 3.900 2.132 2.132 2.132 . 0 0 "[ ]" 1
438 2 11 GLN HB3 2 11 GLN HG3 2.600 . 3.400 2.713 2.713 2.713 . 0 0 "[ ]" 1
439 2 11 GLN HA 2 11 GLN HG3 2.800 . 3.800 3.679 3.679 3.679 . 0 0 "[ ]" 1
440 2 11 GLN HB2 2 11 GLN HG3 2.800 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 1
441 2 11 GLN HA 2 11 GLN HG2 2.600 . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
442 2 11 GLN HB2 2 11 GLN HG2 2.600 . 3.500 2.720 2.720 2.720 . 0 0 "[ ]" 1
443 2 11 GLN HB3 2 11 GLN HG2 2.800 . 3.800 2.928 2.928 2.928 . 0 0 "[ ]" 1
444 2 14 ARG HB3 2 65 LEU QD 3.100 . 4.300 2.737 2.737 2.737 . 0 0 "[ ]" 1
445 2 40 LYS HB2 2 40 LYS HE3 3.700 . 5.400 2.282 2.282 2.282 . 0 0 "[ ]" 1
446 2 40 LYS HB2 2 40 LYS HE2 3.300 . 4.700 3.774 3.774 3.774 . 0 0 "[ ]" 1
447 2 37 VAL MG2 2 40 LYS HB2 3.400 . 6.000 5.979 5.979 5.979 . 0 0 "[ ]" 1
448 2 123 VAL HA 2 123 VAL HB 2.600 . 3.400 3.022 3.022 3.022 . 0 0 "[ ]" 1
449 2 119 ARG QG 2 123 VAL HB 3.800 . 5.600 4.487 4.487 4.487 . 0 0 "[ ]" 1
450 2 39 GLU HB3 2 40 LYS HB3 4.300 . 6.000 5.753 5.753 5.753 . 0 0 "[ ]" 1
451 2 35 VAL HB 2 48 CYS HB2 3.200 . 4.500 2.223 2.223 2.223 . 0 0 "[ ]" 1
452 2 35 VAL MG2 2 48 CYS HB2 3.400 . 4.900 3.154 3.154 3.154 . 0 0 "[ ]" 1
453 1 7 GLN HA 1 7 GLN QG 2.600 . 3.400 3.383 3.383 3.383 . 0 0 "[ ]" 1
454 1 7 GLN QG 1 8 PRO HD2 2.800 . 3.800 3.943 3.943 3.943 0.143 1 0 "[ ]" 1
455 2 21 LYS HB2 2 21 LYS QG 2.900 . 3.900 2.497 2.497 2.497 . 0 0 "[ ]" 1
456 2 47 PHE QE 2 54 ARG HB2 3.100 . 4.300 3.538 3.538 3.538 . 0 0 "[ ]" 1
457 2 91 ALA MB 2 96 GLU HB3 3.900 . 5.800 3.856 3.856 3.856 . 0 0 "[ ]" 1
458 2 91 ALA MB 2 96 GLU HB2 3.100 . 4.300 2.942 2.942 2.942 . 0 0 "[ ]" 1
459 2 92 VAL HA 2 92 VAL HB 2.500 . 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 1
460 2 92 VAL HB 2 92 VAL MG1 2.300 . 2.900 2.126 2.126 2.126 . 0 0 "[ ]" 1
461 2 38 VAL MG1 2 49 GLN HB3 3.300 . 4.700 2.904 2.904 2.904 . 0 0 "[ ]" 1
462 2 49 GLN HB2 2 54 ARG HG3 3.300 . 4.700 4.514 4.514 4.514 . 0 0 "[ ]" 1
463 1 11 ASN HA 1 12 PRO QB 3.400 . 4.800 4.635 4.635 4.635 . 0 0 "[ ]" 1
464 1 12 PRO QB 2 115 TRP HB3 4.000 . 6.000 5.878 5.878 5.878 . 0 0 "[ ]" 1
465 2 83 TYR HA 2 134 LYS HB3 4.000 . 6.000 5.745 5.745 5.745 . 0 0 "[ ]" 1
466 2 134 LYS HA 2 134 LYS HB3 2.800 . 3.800 2.999 2.999 2.999 . 0 0 "[ ]" 1
467 2 134 LYS HB3 2 134 LYS QG 2.400 . 3.100 2.140 2.140 2.140 . 0 0 "[ ]" 1
468 2 83 TYR QE 2 134 LYS HB2 3.100 . 4.300 2.839 2.839 2.839 . 0 0 "[ ]" 1
469 2 134 LYS HA 2 134 LYS HB2 2.400 . 3.100 2.328 2.328 2.328 . 0 0 "[ ]" 1
470 2 134 LYS HB2 2 134 LYS HB3 1.700 . 2.200 1.747 1.747 1.747 . 0 0 "[ ]" 1
471 2 134 LYS HB2 2 134 LYS QG 2.400 . 3.100 2.525 2.525 2.525 . 0 0 "[ ]" 1
472 1 9 PRO HB3 2 45 TRP HE3 4.100 . 6.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
473 2 82 PRO HA 2 82 PRO HB3 2.400 . 3.100 2.281 2.281 2.281 . 0 0 "[ ]" 1
474 2 93 GLU HA 2 93 GLU HB3 2.800 . 3.800 2.516 2.516 2.516 . 0 0 "[ ]" 1
475 2 82 PRO HB2 2 134 LYS HA 3.800 . 6.000 6.052 6.052 6.052 0.052 1 0 "[ ]" 1
476 2 82 PRO HB2 2 134 LYS QG 4.000 . 6.000 5.863 5.863 5.863 . 0 0 "[ ]" 1
477 1 9 PRO HB3 2 45 TRP HH2 4.000 . 6.000 5.384 5.384 5.384 . 0 0 "[ ]" 1
478 2 92 VAL MG1 2 93 GLU HB2 4.000 . 6.000 4.860 4.860 4.860 . 0 0 "[ ]" 1
479 2 35 VAL HA 2 50 MET HG3 3.600 . 5.200 3.880 3.880 3.880 . 0 0 "[ ]" 1
480 2 50 MET HA 2 50 MET HG3 3.200 . 4.500 3.078 3.078 3.078 . 0 0 "[ ]" 1
481 2 50 MET HB3 2 50 MET HG3 2.800 . 3.800 2.985 2.985 2.985 . 0 0 "[ ]" 1
482 2 50 MET HB2 2 50 MET HG3 2.300 . 2.900 2.314 2.314 2.314 . 0 0 "[ ]" 1
483 2 27 MET ME 2 50 MET HG3 2.800 . 3.800 2.024 2.024 2.024 . 0 0 "[ ]" 1
484 2 35 VAL MG1 2 50 MET HG3 2.900 . 4.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
485 2 35 VAL HA 2 50 MET HG2 3.000 . 4.100 2.892 2.892 2.892 . 0 0 "[ ]" 1
486 2 50 MET HG2 2 51 LYS QE 3.800 . 5.600 4.222 4.222 4.222 . 0 0 "[ ]" 1
487 2 48 CYS HB2 2 50 MET HG2 2.200 . 6.000 5.318 5.318 5.318 . 0 0 "[ ]" 1
488 2 50 MET HB3 2 50 MET HG2 2.600 . 3.400 2.579 2.579 2.579 . 0 0 "[ ]" 1
489 2 50 MET HB2 2 50 MET HG2 2.800 . 3.800 2.981 2.981 2.981 . 0 0 "[ ]" 1
490 2 50 MET HG2 2 51 LYS HG3 3.700 . 5.400 4.255 4.255 4.255 . 0 0 "[ ]" 1
491 2 35 VAL MG1 2 50 MET HG2 2.900 . 3.900 2.446 2.446 2.446 . 0 0 "[ ]" 1
492 2 50 MET HA 2 50 MET HG2 2.400 . 3.100 2.228 2.228 2.228 . 0 0 "[ ]" 1
493 2 50 MET ME 2 50 MET HG2 3.100 . 4.300 2.833 2.833 2.833 . 0 0 "[ ]" 1
494 2 58 PRO HB2 2 61 PHE QD 4.000 . 4.800 2.745 2.745 2.745 . 0 0 "[ ]" 1
495 2 58 PRO HB3 2 61 PHE QD 3.600 . 5.300 3.484 3.484 3.484 . 0 0 "[ ]" 1
496 2 20 GLU HB3 2 21 LYS QD 2.700 . 3.600 3.453 3.453 3.453 . 0 0 "[ ]" 1
497 2 20 GLU HA 2 20 GLU HB2 2.700 . 3.600 3.009 3.009 3.009 . 0 0 "[ ]" 1
498 2 128 PRO HB2 2 131 TYR QD 4.300 . 6.000 2.404 2.404 2.404 . 0 0 "[ ]" 1
499 1 12 PRO HG3 2 128 PRO HB2 2.900 . 4.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
500 2 128 PRO HB3 2 128 PRO HD2 3.500 . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
501 2 42 GLU QB 2 116 TRP HH2 4.100 . 6.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
502 2 42 GLU QB 2 129 SER HB3 4.100 . 6.000 5.900 5.900 5.900 . 0 0 "[ ]" 1
503 2 42 GLU QB 2 116 TRP HZ2 4.000 . 6.000 3.819 3.819 3.819 . 0 0 "[ ]" 1
504 2 42 GLU HA 2 42 GLU QB 2.200 . 2.800 2.373 2.373 2.373 . 0 0 "[ ]" 1
505 2 110 LYS QD 2 116 TRP HZ2 2.900 . 6.000 5.977 5.977 5.977 . 0 0 "[ ]" 1
506 2 130 MET HB3 2 130 MET HG2 2.600 . 3.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
507 2 130 MET HG2 2 131 TYR QD 3.300 . 6.000 2.564 2.564 2.564 . 0 0 "[ ]" 1
508 2 87 LYS HD2 2 130 MET HG2 3.600 . 5.300 4.945 4.945 4.945 . 0 0 "[ ]" 1
509 2 128 PRO HB3 2 130 MET HG2 4.000 . 6.000 2.994 2.994 2.994 . 0 0 "[ ]" 1
510 2 128 PRO HB2 2 130 MET HG3 3.300 . 4.700 4.311 4.311 4.311 . 0 0 "[ ]" 1
511 2 128 PRO HB3 2 130 MET HG3 3.500 . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
512 2 130 MET HG3 2 131 TYR HA 4.100 . 6.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
513 1 12 PRO HD3 2 130 MET HG3 3.200 . 4.500 4.072 4.072 4.072 . 0 0 "[ ]" 1
514 2 130 MET HB2 2 130 MET HG3 2.500 . 3.300 2.213 2.213 2.213 . 0 0 "[ ]" 1
515 1 13 PRO HA 1 13 PRO HB3 3.000 . 4.200 2.310 2.310 2.310 . 0 0 "[ ]" 1
516 1 13 PRO HB3 1 14 PRO HD3 4.800 . 6.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
517 1 8 PRO HB2 1 9 PRO HD3 4.100 . 6.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
518 2 87 LYS HD3 2 131 TYR QD 3.600 . 5.300 3.119 3.119 3.119 . 0 0 "[ ]" 1
519 2 87 LYS HA 2 87 LYS HD3 3.100 . 4.300 4.257 4.257 4.257 . 0 0 "[ ]" 1
520 2 87 LYS HD3 2 87 LYS HE2 2.100 . 2.700 2.709 2.709 2.709 0.009 1 0 "[ ]" 1
521 2 87 LYS HB2 2 87 LYS HD3 2.900 . 3.900 2.710 2.710 2.710 . 0 0 "[ ]" 1
522 2 87 LYS HA 2 87 LYS HD2 3.400 . 4.800 4.796 4.796 4.796 . 0 0 "[ ]" 1
523 2 87 LYS HD2 2 87 LYS HE2 2.400 . 3.100 2.937 2.937 2.937 . 0 0 "[ ]" 1
524 2 87 LYS HB2 2 87 LYS HD2 3.000 . 4.100 3.567 3.567 3.567 . 0 0 "[ ]" 1
525 1 8 PRO HB3 1 8 PRO QD 3.500 . 5.000 3.021 3.021 3.021 . 0 0 "[ ]" 1
526 1 8 PRO HB2 1 8 PRO QD 4.000 . 6.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
527 2 109 HIS HB2 2 111 LEU HG 4.100 . 6.000 5.153 5.153 5.153 . 0 0 "[ ]" 1
528 2 111 LEU HB3 2 111 LEU HG 2.900 . 4.000 2.612 2.612 2.612 . 0 0 "[ ]" 1
529 2 111 LEU HA 2 111 LEU HG 3.000 . 4.100 3.034 3.034 3.034 . 0 0 "[ ]" 1
530 2 109 HIS HB3 2 111 LEU HG 3.500 . 5.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
531 2 58 PRO HG3 2 61 PHE QD 3.900 . 5.800 3.430 3.430 3.430 . 0 0 "[ ]" 1
532 2 58 PRO HA 2 58 PRO HG3 4.000 . 6.000 3.245 3.245 3.245 . 0 0 "[ ]" 1
533 2 45 TRP HH2 2 58 PRO HG2 4.400 . 6.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
534 2 58 PRO HA 2 58 PRO HG2 3.900 . 5.800 4.035 4.035 4.035 . 0 0 "[ ]" 1
535 1 14 PRO HD3 2 58 PRO HG2 3.100 . 6.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
536 1 14 PRO HG3 2 58 PRO HG2 4.300 . 6.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
537 2 17 ALA MB 2 58 PRO HG2 4.300 . 6.000 5.618 5.618 5.618 . 0 0 "[ ]" 1
538 2 82 PRO HA 2 82 PRO HG2 3.000 . 4.100 4.020 4.020 4.020 . 0 0 "[ ]" 1
539 1 14 PRO HG3 2 19 TYR QE 3.000 . 4.100 2.712 2.712 2.712 . 0 0 "[ ]" 1
540 1 14 PRO HG2 2 19 TYR QE 3.500 . 5.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
541 1 13 PRO HA 1 14 PRO HG2 4.400 . 6.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
542 1 14 PRO HG2 2 58 PRO HG2 3.500 . 5.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
543 1 14 PRO HG2 2 61 PHE QE 3.100 . 4.300 1.990 1.990 1.990 . 0 0 "[ ]" 1
544 1 14 PRO HG2 2 61 PHE QD 3.500 . 5.000 2.535 2.535 2.535 . 0 0 "[ ]" 1
545 1 14 PRO HD2 1 14 PRO HG2 2.800 . 3.800 2.319 2.319 2.319 . 0 0 "[ ]" 1
546 1 12 PRO HG3 2 115 TRP HZ2 4.200 . 6.000 5.667 5.667 5.667 . 0 0 "[ ]" 1
547 1 12 PRO HD3 1 12 PRO HG3 2.800 . 3.800 2.285 2.285 2.285 . 0 0 "[ ]" 1
548 1 12 PRO HG3 2 128 PRO HB3 3.200 . 4.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
549 1 12 PRO HG3 2 131 TYR QE 3.500 . 3.900 2.908 2.908 2.908 . 0 0 "[ ]" 1
550 1 12 PRO HD2 1 12 PRO HG2 2.800 . 3.800 2.291 2.291 2.291 . 0 0 "[ ]" 1
551 1 12 PRO HG2 2 128 PRO HB3 3.500 . 5.000 2.293 2.293 2.293 . 0 0 "[ ]" 1
552 2 58 PRO HD3 2 58 PRO HG3 3.000 . 4.100 2.316 2.316 2.316 . 0 0 "[ ]" 1
553 2 58 PRO HB2 2 58 PRO HG3 2.900 . 3.900 2.975 2.975 2.975 . 0 0 "[ ]" 1
554 2 58 PRO HD2 2 58 PRO HG2 3.000 . 4.200 2.323 2.323 2.323 . 0 0 "[ ]" 1
555 2 83 TYR QB 2 132 LEU HG 3.700 . 5.400 4.726 4.726 4.726 . 0 0 "[ ]" 1
556 2 116 TRP HZ3 2 132 LEU HG 4.100 . 6.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
557 2 47 PHE QE 2 54 ARG HG2 3.200 . 6.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
558 2 47 PHE QE 2 54 ARG HG3 3.900 . 5.800 2.224 2.224 2.224 . 0 0 "[ ]" 1
559 2 54 ARG HG3 2 55 GLY HA3 4.400 . 6.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
560 2 85 ALA HA 2 132 LEU HG 3.600 . 5.200 4.694 4.694 4.694 . 0 0 "[ ]" 1
561 2 116 TRP HE3 2 132 LEU HG 3.600 . 5.200 4.136 4.136 4.136 . 0 0 "[ ]" 1
562 2 132 LEU HA 2 132 LEU HG 3.200 . 4.400 3.522 3.522 3.522 . 0 0 "[ ]" 1
563 2 116 TRP HB3 2 132 LEU HG 4.000 . 6.000 5.989 5.989 5.989 . 0 0 "[ ]" 1
564 2 129 SER HA 2 132 LEU HG 2.800 . 3.700 3.442 3.442 3.442 . 0 0 "[ ]" 1
565 2 132 LEU HB2 2 132 LEU HG 2.600 . 3.500 2.858 2.858 2.858 . 0 0 "[ ]" 1
566 2 132 LEU HB3 2 132 LEU HG 2.700 . 3.600 2.840 2.840 2.840 . 0 0 "[ ]" 1
567 2 118 ILE MG 2 132 LEU HG 3.100 . 4.300 4.319 4.319 4.319 0.019 1 0 "[ ]" 1
568 2 29 LEU HA 2 29 LEU HG 3.200 . 4.500 2.791 2.791 2.791 . 0 0 "[ ]" 1
569 2 13 TYR QD 2 62 LEU MD1 2.900 . 4.000 3.157 3.157 3.157 . 0 0 "[ ]" 1
570 2 46 TRP HE3 2 62 LEU MD1 2.800 . 3.700 2.404 2.404 2.404 . 0 0 "[ ]" 1
571 2 62 LEU HA 2 62 LEU MD1 3.900 . 5.800 3.764 3.764 3.764 . 0 0 "[ ]" 1
572 2 15 ALA HA 2 62 LEU MD1 3.800 . 5.600 4.976 4.976 4.976 . 0 0 "[ ]" 1
573 2 62 LEU MD1 2 64 PRO HD2 4.000 . 6.000 6.034 6.034 6.034 0.034 1 0 "[ ]" 1
574 2 59 ALA HA 2 62 LEU MD1 2.800 . 3.800 2.893 2.893 2.893 . 0 0 "[ ]" 1
575 2 62 LEU HB3 2 62 LEU MD1 2.500 . 3.300 2.204 2.204 2.204 . 0 0 "[ ]" 1
576 2 62 LEU HB2 2 62 LEU MD1 2.600 . 3.400 2.395 2.395 2.395 . 0 0 "[ ]" 1
577 2 35 VAL MG2 2 62 LEU MD1 2.400 . 3.100 2.001 2.001 2.001 . 0 0 "[ ]" 1
578 2 37 VAL MG1 2 62 LEU MD1 2.800 . 6.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
579 2 115 TRP HE3 2 128 PRO HG3 3.700 . 5.400 4.259 4.259 4.259 . 0 0 "[ ]" 1
580 2 127 PHE HA 2 128 PRO HG3 4.600 . 6.000 4.316 4.316 4.316 . 0 0 "[ ]" 1
581 2 128 PRO HD3 2 128 PRO HG3 2.900 . 3.900 2.294 2.294 2.294 . 0 0 "[ ]" 1
582 1 12 PRO HG3 2 128 PRO HG3 3.000 . 4.100 3.418 3.418 3.418 . 0 0 "[ ]" 1
583 1 12 PRO HG2 2 128 PRO HG3 3.900 . 5.800 2.452 2.452 2.452 . 0 0 "[ ]" 1
584 2 128 PRO HB2 2 128 PRO HG3 2.700 . 3.600 2.992 2.992 2.992 . 0 0 "[ ]" 1
585 2 127 PHE HA 2 128 PRO HG2 4.800 . 6.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
586 1 12 PRO HG2 2 128 PRO HG2 4.100 . 6.000 2.572 2.572 2.572 . 0 0 "[ ]" 1
587 2 128 PRO HD2 2 128 PRO HG2 2.800 . 3.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
588 2 115 TRP HZ2 2 128 PRO HG2 4.000 . 6.000 4.807 4.807 4.807 . 0 0 "[ ]" 1
589 2 115 TRP HE3 2 128 PRO HG2 4.000 . 6.000 5.375 5.375 5.375 . 0 0 "[ ]" 1
590 2 128 PRO HG2 2 131 TYR QE 3.600 . 5.300 3.501 3.501 3.501 . 0 0 "[ ]" 1
591 1 12 PRO HG3 2 128 PRO HG2 2.900 . 3.900 3.435 3.435 3.435 . 0 0 "[ ]" 1
592 2 46 TRP HZ2 2 112 LEU MD1 3.100 . 4.300 3.338 3.338 3.338 . 0 0 "[ ]" 1
593 2 46 TRP HH2 2 112 LEU MD1 2.600 . 6.000 5.079 5.079 5.079 . 0 0 "[ ]" 1
594 2 41 SER HB3 2 112 LEU MD1 2.200 . 6.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
595 2 112 LEU HA 2 112 LEU MD1 2.500 . 3.300 2.130 2.130 2.130 . 0 0 "[ ]" 1
596 2 112 LEU MD1 2 113 ASP HB3 3.800 . 6.000 5.874 5.874 5.874 . 0 0 "[ ]" 1
597 2 42 GLU HG3 2 112 LEU MD1 3.000 . 4.100 3.935 3.935 3.935 . 0 0 "[ ]" 1
598 2 112 LEU HB3 2 112 LEU MD1 1.900 . 2.300 1.987 1.987 1.987 . 0 0 "[ ]" 1
599 2 112 LEU HB2 2 112 LEU MD1 2.700 . 3.600 3.200 3.200 3.200 . 0 0 "[ ]" 1
600 2 59 ALA MB 2 112 LEU MD1 2.900 . 4.000 2.675 2.675 2.675 . 0 0 "[ ]" 1
601 2 83 TYR QE 2 134 LYS QG 3.100 . 4.100 4.067 4.067 4.067 . 0 0 "[ ]" 1
602 2 83 TYR HA 2 134 LYS QG 3.600 . 5.200 4.624 4.624 4.624 . 0 0 "[ ]" 1
603 2 134 LYS HA 2 134 LYS QG 2.300 . 3.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
604 2 134 LYS HB3 2 134 LYS QG 2.000 . 2.500 1.883 1.883 1.883 . 0 0 "[ ]" 1
605 2 109 HIS HE1 2 111 LEU MD1 4.300 . 5.200 4.829 4.829 4.829 . 0 0 "[ ]" 1
606 2 111 LEU MD1 2 116 TRP HD1 3.100 . 4.300 2.017 2.017 2.017 . 0 0 "[ ]" 1
607 2 111 LEU MD1 2 126 TYR QE 2.500 . 3.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
608 2 109 HIS HD2 2 111 LEU MD1 3.700 . 5.500 4.987 4.987 4.987 . 0 0 "[ ]" 1
609 2 111 LEU MD1 2 116 TRP HA 2.800 . 3.800 2.071 2.071 2.071 . 0 0 "[ ]" 1
610 2 109 HIS HA 2 111 LEU MD1 3.800 . 5.600 5.234 5.234 5.234 . 0 0 "[ ]" 1
611 2 111 LEU HA 2 111 LEU MD1 3.000 . 4.100 3.629 3.629 3.629 . 0 0 "[ ]" 1
612 2 109 HIS HB3 2 111 LEU MD1 3.100 . 4.300 3.617 3.617 3.617 . 0 0 "[ ]" 1
613 2 111 LEU MD1 2 116 TRP HB3 3.800 . 5.600 3.828 3.828 3.828 . 0 0 "[ ]" 1
614 2 109 HIS HB2 2 111 LEU MD1 3.600 . 5.200 5.090 5.090 5.090 . 0 0 "[ ]" 1
615 2 111 LEU MD1 2 111 LEU MD2 2.100 . 2.600 1.929 1.929 1.929 . 0 0 "[ ]" 1
616 2 29 LEU MD2 2 61 PHE QD 3.400 . 6.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
617 2 29 LEU HA 2 29 LEU MD2 3.500 . 5.100 3.801 3.801 3.801 . 0 0 "[ ]" 1
618 2 29 LEU MD2 2 61 PHE HB3 3.000 . 4.200 2.937 2.937 2.937 . 0 0 "[ ]" 1
619 2 29 LEU MD2 2 58 PRO HD2 3.200 . 4.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
620 2 19 TYR QD 2 29 LEU MD2 3.600 . 6.000 3.128 3.128 3.128 . 0 0 "[ ]" 1
621 2 29 LEU MD2 2 62 LEU HA 3.900 . 5.800 3.438 3.438 3.438 . 0 0 "[ ]" 1
622 2 19 TYR HA 2 29 LEU MD2 2.700 . 6.000 5.382 5.382 5.382 . 0 0 "[ ]" 1
623 2 100 LEU MD2 2 103 GLU HG2 3.400 . 4.900 4.204 4.204 4.204 . 0 0 "[ ]" 1
624 2 99 LEU HB3 2 100 LEU MD2 2.300 . 6.000 4.701 4.701 4.701 . 0 0 "[ ]" 1
625 2 14 ARG HA 2 65 LEU MD2 2.800 . 3.700 3.706 3.706 3.706 0.006 1 0 "[ ]" 1
626 2 13 TYR HA 2 65 LEU MD2 2.200 . 6.000 4.236 4.236 4.236 . 0 0 "[ ]" 1
627 2 64 PRO HA 2 65 LEU MD2 2.600 . 6.000 5.997 5.997 5.997 . 0 0 "[ ]" 1
628 2 100 LEU MD2 2 103 GLU HG3 3.100 . 4.300 3.413 3.413 3.413 . 0 0 "[ ]" 1
629 2 34 VAL HB 2 65 LEU MD2 2.800 . 3.800 1.991 1.991 1.991 . 0 0 "[ ]" 1
630 2 14 ARG HB3 2 65 LEU MD2 2.700 . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
631 2 65 LEU HB3 2 65 LEU MD2 2.000 . 2.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
632 2 12 THR MG 2 65 LEU MD2 2.100 . 6.000 3.154 3.154 3.154 . 0 0 "[ ]" 1
633 2 12 THR HB 2 65 LEU MD2 2.500 . 3.300 2.412 2.412 2.412 . 0 0 "[ ]" 1
634 2 14 ARG HD3 2 65 LEU MD2 2.200 . 6.000 5.686 5.686 5.686 . 0 0 "[ ]" 1
635 2 85 ALA HA 2 99 LEU MD2 3.400 . 4.900 3.392 3.392 3.392 . 0 0 "[ ]" 1
636 2 97 VAL HB 2 99 LEU MD2 3.700 . 5.400 4.427 4.427 4.427 . 0 0 "[ ]" 1
637 2 99 LEU HB2 2 99 LEU MD2 2.800 . 3.800 2.433 2.433 2.433 . 0 0 "[ ]" 1
638 2 99 LEU MD1 2 99 LEU MD2 2.200 . 2.800 2.026 2.026 2.026 . 0 0 "[ ]" 1
639 2 99 LEU MD2 2 127 PHE QE 3.400 . 4.800 3.983 3.983 3.983 . 0 0 "[ ]" 1
640 2 99 LEU MD2 2 103 GLU HG3 4.400 . 6.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
641 2 99 LEU HB3 2 99 LEU MD2 2.600 . 3.400 2.263 2.263 2.263 . 0 0 "[ ]" 1
642 2 99 LEU MD2 2 100 LEU QD 3.300 . 6.000 5.379 5.379 5.379 . 0 0 "[ ]" 1
643 2 87 LYS HA 2 87 LYS HG3 3.000 . 4.100 3.364 3.364 3.364 . 0 0 "[ ]" 1
644 2 87 LYS HB2 2 87 LYS HG3 2.200 . 2.800 2.285 2.285 2.285 . 0 0 "[ ]" 1
645 2 87 LYS HG2 2 131 TYR QD 4.300 . 6.000 4.954 4.954 4.954 . 0 0 "[ ]" 1
646 2 87 LYS HG2 2 131 TYR HA 4.000 . 6.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
647 2 87 LYS HE2 2 87 LYS HG2 2.500 . 3.300 2.126 2.126 2.126 . 0 0 "[ ]" 1
648 2 21 LYS HA 2 21 LYS QG 2.900 . 3.900 2.260 2.260 2.260 . 0 0 "[ ]" 1
649 2 21 LYS QG 2 27 MET ME 2.500 . 6.000 6.026 6.026 6.026 0.026 1 0 "[ ]" 1
650 2 21 LYS QD 2 21 LYS QG 3.000 . 4.100 2.029 2.029 2.029 . 0 0 "[ ]" 1
651 2 15 ALA HA 2 29 LEU MD1 3.900 . 5.800 4.754 4.754 4.754 . 0 0 "[ ]" 1
652 2 29 LEU HA 2 29 LEU MD1 2.300 . 3.000 2.035 2.035 2.035 . 0 0 "[ ]" 1
653 2 29 LEU MD1 2 33 ASP HA 3.900 . 5.800 5.789 5.789 5.789 . 0 0 "[ ]" 1
654 2 29 LEU MD1 2 61 PHE HB3 4.100 . 6.000 5.530 5.530 5.530 . 0 0 "[ ]" 1
655 2 13 TYR HA 2 65 LEU MD1 2.500 . 6.000 4.819 4.819 4.819 . 0 0 "[ ]" 1
656 2 12 THR HB 2 65 LEU MD1 2.700 . 6.000 4.693 4.693 4.693 . 0 0 "[ ]" 1
657 2 14 ARG HD3 2 65 LEU MD1 2.200 . 6.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
658 2 34 VAL HB 2 65 LEU MD1 3.100 . 4.300 3.753 3.753 3.753 . 0 0 "[ ]" 1
659 2 14 ARG HB3 2 65 LEU MD1 3.000 . 4.100 2.775 2.775 2.775 . 0 0 "[ ]" 1
660 2 65 LEU HB2 2 65 LEU MD1 2.600 . 3.400 2.341 2.341 2.341 . 0 0 "[ ]" 1
661 2 12 THR MG 2 65 LEU MD1 2.300 . 6.000 5.311 5.311 5.311 . 0 0 "[ ]" 1
662 2 99 LEU MD1 2 127 PHE QE 3.700 . 5.400 2.803 2.803 2.803 . 0 0 "[ ]" 1
663 2 98 SER HA 2 99 LEU MD1 3.900 . 5.800 3.637 3.637 3.637 . 0 0 "[ ]" 1
664 2 99 LEU HA 2 99 LEU MD1 2.400 . 3.100 2.689 2.689 2.689 . 0 0 "[ ]" 1
665 2 99 LEU MD1 2 103 GLU HB2 3.100 . 4.300 4.174 4.174 4.174 . 0 0 "[ ]" 1
666 2 99 LEU MD1 2 99 LEU HG 2.400 . 3.100 2.095 2.095 2.095 . 0 0 "[ ]" 1
667 2 46 TRP HZ2 2 112 LEU MD2 3.200 . 4.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
668 2 46 TRP HH2 2 112 LEU MD2 2.900 . 5.800 5.811 5.811 5.811 0.011 1 0 "[ ]" 1
669 2 112 LEU HA 2 112 LEU MD2 2.100 . 2.600 2.279 2.279 2.279 . 0 0 "[ ]" 1
670 2 111 LEU HA 2 112 LEU MD2 2.600 . 6.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
671 2 43 SER HA 2 112 LEU MD2 2.300 . 6.000 6.014 6.014 6.014 0.014 1 0 "[ ]" 1
672 2 42 GLU HG3 2 112 LEU MD2 3.000 . 4.100 2.835 2.835 2.835 . 0 0 "[ ]" 1
673 2 42 GLU HB2 2 112 LEU MD2 2.900 . 4.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
674 2 112 LEU HB3 2 112 LEU MD2 2.100 . 2.600 2.068 2.068 2.068 . 0 0 "[ ]" 1
675 2 112 LEU HB2 2 112 LEU MD2 2.300 . 2.900 2.220 2.220 2.220 . 0 0 "[ ]" 1
676 2 59 ALA MB 2 112 LEU MD2 3.000 . 6.000 4.731 4.731 4.731 . 0 0 "[ ]" 1
677 2 105 VAL MG2 2 118 ILE HA 4.700 . 6.000 3.064 3.064 3.064 . 0 0 "[ ]" 1
678 2 105 VAL HA 2 105 VAL MG2 2.200 . 2.800 2.473 2.473 2.473 . 0 0 "[ ]" 1
679 2 105 VAL MG2 2 120 LYS HA 2.900 . 3.900 2.449 2.449 2.449 . 0 0 "[ ]" 1
680 2 105 VAL MG2 2 121 ASP HB2 3.800 . 6.000 6.020 6.020 6.020 0.020 1 0 "[ ]" 1
681 2 83 TYR QB 2 105 VAL MG2 4.100 . 6.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
682 2 105 VAL MG2 2 127 PHE HB2 5.200 . 6.000 5.201 5.201 5.201 . 0 0 "[ ]" 1
683 2 105 VAL HB 2 105 VAL MG2 2.200 . 2.800 2.086 2.086 2.086 . 0 0 "[ ]" 1
684 2 105 VAL MG2 2 118 ILE MG 4.000 . 6.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
685 2 105 VAL MG1 2 105 VAL MG2 2.100 . 2.700 2.060 2.060 2.060 . 0 0 "[ ]" 1
686 2 99 LEU MD2 2 105 VAL MG2 2.300 . 3.000 3.002 3.002 3.002 0.002 1 0 "[ ]" 1
687 2 83 TYR QE 2 107 VAL MG2 3.000 . 4.200 3.342 3.342 3.342 . 0 0 "[ ]" 1
688 2 107 VAL MG2 2 116 TRP HZ3 3.400 . 4.800 3.801 3.801 3.801 . 0 0 "[ ]" 1
689 2 107 VAL HA 2 107 VAL MG2 2.700 . 3.600 2.400 2.400 2.400 . 0 0 "[ ]" 1
690 2 83 TYR QB 2 107 VAL MG2 3.200 . 4.400 2.037 2.037 2.037 . 0 0 "[ ]" 1
691 2 107 VAL MG2 2 118 ILE MG 2.800 . 3.800 3.314 3.314 3.314 . 0 0 "[ ]" 1
692 2 83 TYR QD 2 107 VAL MG2 3.400 . 4.900 2.627 2.627 2.627 . 0 0 "[ ]" 1
693 2 106 GLU HG3 2 107 VAL MG2 3.700 . 5.500 5.042 5.042 5.042 . 0 0 "[ ]" 1
694 2 109 HIS HE1 2 111 LEU MD2 3.300 . 4.100 2.548 2.548 2.548 . 0 0 "[ ]" 1
695 2 111 LEU MD2 2 116 TRP HD1 4.300 . 6.000 4.795 4.795 4.795 . 0 0 "[ ]" 1
696 2 111 LEU MD2 2 126 TYR QE 3.200 . 4.100 3.398 3.398 3.398 . 0 0 "[ ]" 1
697 2 109 HIS HD2 2 111 LEU MD2 3.700 . 5.200 4.662 4.662 4.662 . 0 0 "[ ]" 1
698 2 109 HIS HA 2 111 LEU MD2 3.800 . 5.600 5.604 5.604 5.604 0.004 1 0 "[ ]" 1
699 2 111 LEU MD2 2 117 VAL HA 4.200 . 6.000 6.018 6.018 6.018 0.018 1 0 "[ ]" 1
700 2 111 LEU HA 2 111 LEU MD2 2.900 . 3.900 3.755 3.755 3.755 . 0 0 "[ ]" 1
701 2 109 HIS HB3 2 111 LEU MD2 3.200 . 4.400 3.884 3.884 3.884 . 0 0 "[ ]" 1
702 2 109 HIS HB2 2 111 LEU MD2 3.300 . 6.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
703 2 111 LEU HB3 2 111 LEU MD2 2.500 . 3.300 2.024 2.024 2.024 . 0 0 "[ ]" 1
704 2 111 LEU HB2 2 111 LEU MD2 2.600 . 3.500 2.620 2.620 2.620 . 0 0 "[ ]" 1
705 2 111 LEU MD2 2 111 LEU HG 2.200 . 2.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
706 2 11 GLN HA 2 12 THR MG 3.800 . 5.600 4.283 4.283 4.283 . 0 0 "[ ]" 1
707 2 12 THR MG 2 13 TYR HB2 4.700 . 6.000 5.814 5.814 5.814 . 0 0 "[ ]" 1
708 2 12 THR MG 2 65 LEU HB3 3.200 . 4.500 4.243 4.243 4.243 . 0 0 "[ ]" 1
709 2 37 VAL MG2 2 62 LEU MD1 2.900 . 4.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
710 2 13 TYR QR 2 37 VAL MG2 2.400 . 6.000 2.187 2.187 2.187 . 0 0 "[ ]" 1
711 2 37 VAL MG2 2 46 TRP HE3 2.500 . 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 1
712 2 37 VAL MG2 2 46 TRP HA 4.000 . 6.000 5.756 5.756 5.756 . 0 0 "[ ]" 1
713 2 12 THR HA 2 37 VAL MG2 2.700 . 6.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
714 2 37 VAL HA 2 37 VAL MG2 2.400 . 3.100 2.530 2.530 2.530 . 0 0 "[ ]" 1
715 2 37 VAL MG2 2 64 PRO HA 4.400 . 6.000 5.816 5.816 5.816 . 0 0 "[ ]" 1
716 2 37 VAL MG2 2 48 CYS HB3 3.200 . 4.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
717 2 11 GLN HB2 2 37 VAL MG2 2.900 . 3.900 2.375 2.375 2.375 . 0 0 "[ ]" 1
718 2 37 VAL HB 2 37 VAL MG2 2.300 . 3.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
719 2 37 VAL MG2 2 40 LYS HG2 3.800 . 5.600 4.186 4.186 4.186 . 0 0 "[ ]" 1
720 2 127 PHE QE 2 132 LEU MD2 4.000 . 6.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
721 2 83 TYR QD 2 132 LEU QD 3.400 . 4.900 2.447 2.447 2.447 . 0 0 "[ ]" 1
722 2 83 TYR QE 2 132 LEU QD 3.800 . 5.600 3.803 3.803 3.803 . 0 0 "[ ]" 1
723 2 132 LEU HA 2 132 LEU QD 2.500 . 3.300 3.353 3.353 3.353 0.053 1 0 "[ ]" 1
724 2 85 ALA HA 2 132 LEU MD2 2.400 . 3.100 3.113 3.113 3.113 0.013 1 0 "[ ]" 1
725 2 132 LEU QD 2 133 GLN HA 3.600 . 5.300 4.247 4.247 4.247 . 0 0 "[ ]" 1
726 2 131 TYR HB2 2 132 LEU QD 3.500 . 5.000 3.211 3.211 3.211 . 0 0 "[ ]" 1
727 2 83 TYR QB 2 132 LEU QD 3.000 . 4.100 2.330 2.330 2.330 . 0 0 "[ ]" 1
728 2 132 LEU HB2 2 132 LEU QD 2.400 . 3.100 2.031 2.031 2.031 . 0 0 "[ ]" 1
729 2 132 LEU HB3 2 132 LEU QD 2.500 . 3.300 1.951 1.951 1.951 . 0 0 "[ ]" 1
730 2 118 ILE MG 2 132 LEU QD 2.800 . 3.800 2.062 2.062 2.062 . 0 0 "[ ]" 1
731 2 99 LEU MD2 2 132 LEU MD2 2.800 . 3.800 3.081 3.081 3.081 . 0 0 "[ ]" 1
732 2 12 THR HA 2 12 THR MG 2.100 . 2.700 2.208 2.208 2.208 . 0 0 "[ ]" 1
733 2 12 THR MG 2 36 GLU HA 2.600 . 3.400 3.234 3.234 3.234 . 0 0 "[ ]" 1
734 2 12 THR HB 2 12 THR MG 2.100 . 2.600 2.086 2.086 2.086 . 0 0 "[ ]" 1
735 2 12 THR MG 2 36 GLU HG3 2.400 . 3.100 2.037 2.037 2.037 . 0 0 "[ ]" 1
736 2 12 THR MG 2 36 GLU HG2 2.600 . 3.500 3.229 3.229 3.229 . 0 0 "[ ]" 1
737 2 12 THR MG 2 36 GLU HB3 3.500 . 5.000 4.400 4.400 4.400 . 0 0 "[ ]" 1
738 2 12 THR MG 2 34 VAL MG2 2.300 . 2.900 2.772 2.772 2.772 . 0 0 "[ ]" 1
739 2 100 LEU HA 2 100 LEU MD1 1.900 . 2.300 2.240 2.240 2.240 . 0 0 "[ ]" 1
740 2 100 LEU MD1 2 100 LEU HG 1.800 . 2.200 2.086 2.086 2.086 . 0 0 "[ ]" 1
741 2 83 TYR QD 2 107 VAL MG1 3.300 . 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
742 2 107 VAL MG1 2 116 TRP HE3 2.900 . 4.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
743 2 107 VAL MG1 2 116 TRP HZ3 3.500 . 4.600 4.622 4.622 4.622 0.022 1 0 "[ ]" 1
744 2 107 VAL MG1 2 118 ILE HA 3.800 . 5.600 3.585 3.585 3.585 . 0 0 "[ ]" 1
745 2 107 VAL HA 2 107 VAL MG1 2.700 . 3.600 2.358 2.358 2.358 . 0 0 "[ ]" 1
746 2 107 VAL MG1 2 110 LYS QE 2.900 . 4.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
747 2 106 GLU HG3 2 107 VAL MG1 3.700 . 6.000 6.018 6.018 6.018 0.018 1 0 "[ ]" 1
748 2 107 VAL MG1 2 110 LYS HA 3.200 . 4.500 3.507 3.507 3.507 . 0 0 "[ ]" 1
749 2 107 VAL MG1 2 107 VAL MG2 2.400 . 3.100 2.074 2.074 2.074 . 0 0 "[ ]" 1
750 2 107 VAL MG1 2 110 LYS HG2 3.000 . 4.100 2.984 2.984 2.984 . 0 0 "[ ]" 1
751 2 30 SER HA 2 31 THR MG 4.100 . 6.000 5.471 5.471 5.471 . 0 0 "[ ]" 1
752 2 31 THR HB 2 31 THR MG 2.000 . 2.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
753 2 31 THR MG 2 32 GLY HA3 3.500 . 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
754 2 31 THR HA 2 31 THR MG 2.100 . 2.700 2.300 2.300 2.300 . 0 0 "[ ]" 1
755 2 13 TYR QD 2 62 LEU MD2 3.500 . 5.000 3.231 3.231 3.231 . 0 0 "[ ]" 1
756 2 14 ARG HA 2 62 LEU MD2 3.500 . 5.000 3.374 3.374 3.374 . 0 0 "[ ]" 1
757 2 62 LEU HA 2 62 LEU MD2 2.300 . 3.000 2.122 2.122 2.122 . 0 0 "[ ]" 1
758 2 15 ALA HA 2 62 LEU MD2 2.500 . 3.300 2.445 2.445 2.445 . 0 0 "[ ]" 1
759 2 13 TYR HA 2 62 LEU MD2 3.500 . 5.100 3.899 3.899 3.899 . 0 0 "[ ]" 1
760 2 13 TYR HB3 2 62 LEU MD2 2.700 . 3.600 1.980 1.980 1.980 . 0 0 "[ ]" 1
761 2 13 TYR HB2 2 62 LEU MD2 3.300 . 4.600 2.676 2.676 2.676 . 0 0 "[ ]" 1
762 2 59 ALA HA 2 62 LEU MD2 2.600 . 6.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
763 2 62 LEU HB2 2 62 LEU MD2 2.900 . 4.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
764 2 22 THR MG 2 45 TRP HH2 3.100 . 6.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
765 2 19 TYR QE 2 22 THR MG 3.400 . 4.900 2.957 2.957 2.957 . 0 0 "[ ]" 1
766 2 22 THR HB 2 22 THR MG 1.900 . 2.300 2.111 2.111 2.111 . 0 0 "[ ]" 1
767 2 21 LYS HA 2 22 THR MG 3.300 . 4.700 3.209 3.209 3.209 . 0 0 "[ ]" 1
768 2 21 LYS HB2 2 22 THR MG 3.600 . 5.300 4.553 4.553 4.553 . 0 0 "[ ]" 1
769 2 89 TYR QE 2 92 VAL MG2 3.300 . 4.600 3.073 3.073 3.073 . 0 0 "[ ]" 1
770 2 91 ALA HA 2 92 VAL MG2 3.600 . 5.300 3.550 3.550 3.550 . 0 0 "[ ]" 1
771 2 92 VAL HB 2 92 VAL MG2 2.000 . 2.500 2.090 2.090 2.090 . 0 0 "[ ]" 1
772 2 17 ALA MB 2 61 PHE QE 2.900 . 3.900 2.829 2.829 2.829 . 0 0 "[ ]" 1
773 2 17 ALA MB 2 61 PHE QD 2.700 . 3.600 2.493 2.493 2.493 . 0 0 "[ ]" 1
774 2 17 ALA HA 2 17 ALA MB 2.100 . 2.600 2.095 2.095 2.095 . 0 0 "[ ]" 1
775 2 34 VAL HA 2 34 VAL MG1 2.500 . 3.300 3.166 3.166 3.166 . 0 0 "[ ]" 1
776 2 34 VAL HB 2 34 VAL MG1 2.100 . 2.700 2.105 2.105 2.105 . 0 0 "[ ]" 1
777 2 16 ILE HB 2 31 THR MG 3.300 . 4.700 3.730 3.730 3.730 . 0 0 "[ ]" 1
778 2 34 VAL HA 2 34 VAL MG2 2.400 . 3.100 2.545 2.545 2.545 . 0 0 "[ ]" 1
779 2 97 VAL HA 2 97 VAL MG1 2.400 . 3.100 2.165 2.165 2.165 . 0 0 "[ ]" 1
780 2 97 VAL MG1 2 118 ILE HG13 3.500 . 5.000 2.675 2.675 2.675 . 0 0 "[ ]" 1
781 2 97 VAL MG1 2 99 LEU MD1 2.500 . 3.300 2.584 2.584 2.584 . 0 0 "[ ]" 1
782 2 97 VAL MG1 2 99 LEU MD2 3.400 . 4.800 4.285 4.285 4.285 . 0 0 "[ ]" 1
783 2 97 VAL MG1 2 98 SER HA 3.900 . 5.800 4.434 4.434 4.434 . 0 0 "[ ]" 1
784 2 116 TRP HD1 2 117 VAL MG1 2.700 . 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
785 2 117 VAL MG1 2 126 TYR QD 3.300 . 6.000 4.029 4.029 4.029 . 0 0 "[ ]" 1
786 2 117 VAL MG1 2 126 TYR QE 2.700 . 6.000 3.351 3.351 3.351 . 0 0 "[ ]" 1
787 2 109 HIS HD2 2 117 VAL MG1 2.900 . 6.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
788 2 109 HIS HA 2 117 VAL MG1 3.600 . 5.200 4.056 4.056 4.056 . 0 0 "[ ]" 1
789 2 117 VAL HA 2 117 VAL MG1 2.700 . 3.600 2.807 2.807 2.807 . 0 0 "[ ]" 1
790 2 117 VAL MG1 2 125 GLY HA2 3.300 . 6.000 5.900 5.900 5.900 . 0 0 "[ ]" 1
791 2 117 VAL MG1 2 124 THR HB 3.700 . 5.400 5.273 5.273 5.273 . 0 0 "[ ]" 1
792 2 109 HIS HB3 2 117 VAL MG1 2.400 . 3.100 1.806 1.806 1.806 . 0 0 "[ ]" 1
793 2 117 VAL HB 2 117 VAL MG1 2.300 . 3.000 2.121 2.121 2.121 . 0 0 "[ ]" 1
794 2 111 LEU MD1 2 117 VAL MG1 2.200 . 2.800 2.132 2.132 2.132 . 0 0 "[ ]" 1
795 2 111 LEU MD2 2 117 VAL MG1 2.600 . 3.400 3.046 3.046 3.046 . 0 0 "[ ]" 1
796 2 35 VAL HA 2 35 VAL MG1 2.300 . 3.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
797 2 35 VAL MG1 2 50 MET HA 3.500 . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
798 2 35 VAL MG1 2 48 CYS HB2 2.600 . 3.400 3.091 3.091 3.091 . 0 0 "[ ]" 1
799 2 35 VAL MG1 2 50 MET HB3 3.300 . 4.600 4.517 4.517 4.517 . 0 0 "[ ]" 1
800 2 35 VAL HB 2 35 VAL MG1 2.200 . 2.800 2.102 2.102 2.102 . 0 0 "[ ]" 1
801 2 27 MET ME 2 35 VAL MG1 2.500 . 3.300 2.197 2.197 2.197 . 0 0 "[ ]" 1
802 2 117 VAL MG2 2 126 TYR QE 4.100 . 6.000 5.576 5.576 5.576 . 0 0 "[ ]" 1
803 2 108 ILE HA 2 117 VAL MG2 2.900 . 6.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
804 2 117 VAL HA 2 117 VAL MG2 2.600 . 3.400 3.041 3.041 3.041 . 0 0 "[ ]" 1
805 2 117 VAL MG2 2 124 THR HB 2.600 . 3.400 2.893 2.893 2.893 . 0 0 "[ ]" 1
806 2 109 HIS HB3 2 117 VAL MG2 3.200 . 4.500 2.453 2.453 2.453 . 0 0 "[ ]" 1
807 2 108 ILE HB 2 117 VAL MG2 2.600 . 3.400 1.886 1.886 1.886 . 0 0 "[ ]" 1
808 2 13 TYR HB2 2 37 VAL MG1 4.000 . 6.000 5.462 5.462 5.462 . 0 0 "[ ]" 1
809 2 37 VAL MG1 2 46 TRP HZ2 4.000 . 6.000 5.465 5.465 5.465 . 0 0 "[ ]" 1
810 2 13 TYR QR 2 37 VAL MG1 3.300 . 6.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
811 2 37 VAL MG1 2 46 TRP HE3 3.000 . 4.100 3.465 3.465 3.465 . 0 0 "[ ]" 1
812 2 37 VAL MG1 2 46 TRP HA 3.700 . 5.400 4.167 4.167 4.167 . 0 0 "[ ]" 1
813 2 37 VAL MG1 2 48 CYS HA 3.400 . 4.900 3.391 3.391 3.391 . 0 0 "[ ]" 1
814 2 36 GLU HA 2 37 VAL MG1 4.500 . 6.000 5.494 5.494 5.494 . 0 0 "[ ]" 1
815 2 37 VAL MG1 2 39 GLU HA 3.300 . 4.700 3.729 3.729 3.729 . 0 0 "[ ]" 1
816 2 37 VAL HA 2 37 VAL MG1 2.300 . 3.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
817 2 37 VAL MG1 2 38 VAL HA 3.600 . 5.200 4.039 4.039 4.039 . 0 0 "[ ]" 1
818 2 37 VAL MG1 2 46 TRP QB 2.800 . 3.800 2.733 2.733 2.733 . 0 0 "[ ]" 1
819 2 37 VAL HB 2 37 VAL MG1 2.300 . 3.000 2.120 2.120 2.120 . 0 0 "[ ]" 1
820 2 37 VAL MG1 2 40 LYS HB2 3.100 . 4.300 4.199 4.199 4.199 . 0 0 "[ ]" 1
821 2 37 VAL MG1 2 40 LYS HB3 2.900 . 3.900 3.025 3.025 3.025 . 0 0 "[ ]" 1
822 2 37 VAL MG1 2 37 VAL MG2 2.200 . 2.800 2.058 2.058 2.058 . 0 0 "[ ]" 1
823 2 37 VAL MG1 2 40 LYS HG2 2.700 . 3.600 1.986 1.986 1.986 . 0 0 "[ ]" 1
824 2 90 THR MG 2 98 SER HA 3.500 . 5.000 4.115 4.115 4.115 . 0 0 "[ ]" 1
825 2 90 THR HA 2 90 THR MG 2.200 . 2.800 2.058 2.058 2.058 . 0 0 "[ ]" 1
826 2 90 THR MG 2 98 SER HB2 3.000 . 4.100 2.644 2.644 2.644 . 0 0 "[ ]" 1
827 2 90 THR MG 2 98 SER HB3 3.200 . 4.500 4.106 4.106 4.106 . 0 0 "[ ]" 1
828 2 90 THR HB 2 90 THR MG 1.900 . 2.400 2.117 2.117 2.117 . 0 0 "[ ]" 1
829 2 124 THR HA 2 124 THR MG 2.300 . 3.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
830 2 123 VAL HA 2 123 VAL MG1 2.000 . 2.500 2.420 2.420 2.420 . 0 0 "[ ]" 1
831 2 123 VAL MG1 2 125 GLY HA2 3.100 . 6.000 4.745 4.745 4.745 . 0 0 "[ ]" 1
832 2 119 ARG HD3 2 124 THR MG 3.400 . 4.800 4.803 4.803 4.803 0.003 1 0 "[ ]" 1
833 2 121 ASP HB2 2 123 VAL MG1 3.000 . 6.000 6.018 6.018 6.018 0.018 1 0 "[ ]" 1
834 2 123 VAL HB 2 123 VAL MG1 1.900 . 2.400 2.100 2.100 2.100 . 0 0 "[ ]" 1
835 2 97 VAL MG2 2 123 VAL MG1 2.100 . 6.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
836 2 19 TYR QD 2 57 ILE MG 3.400 . 6.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
837 2 19 TYR QE 2 57 ILE MG 3.400 . 6.000 2.574 2.574 2.574 . 0 0 "[ ]" 1
838 2 57 ILE MG 2 58 PRO HD3 3.100 . 4.300 2.577 2.577 2.577 . 0 0 "[ ]" 1
839 2 57 ILE HB 2 57 ILE MG 2.200 . 2.800 2.087 2.087 2.087 . 0 0 "[ ]" 1
840 2 121 ASP HB2 2 123 VAL MG2 3.000 . 4.200 4.043 4.043 4.043 . 0 0 "[ ]" 1
841 2 123 VAL HB 2 123 VAL MG2 1.900 . 2.400 2.123 2.123 2.123 . 0 0 "[ ]" 1
842 2 92 VAL MG1 2 93 GLU HA 3.000 . 4.100 4.130 4.130 4.130 0.030 1 0 "[ ]" 1
843 2 38 VAL MG2 2 40 LYS HA 3.700 . 6.000 6.098 6.098 6.098 0.098 1 0 "[ ]" 1
844 2 90 THR HB 2 92 VAL MG1 3.000 . 6.000 5.877 5.877 5.877 . 0 0 "[ ]" 1
845 2 38 VAL MG2 2 47 PHE QE 3.300 . 4.500 2.753 2.753 2.753 . 0 0 "[ ]" 1
846 2 38 VAL MG2 2 47 PHE QD 2.300 . 6.000 1.844 1.844 1.844 . 0 0 "[ ]" 1
847 2 38 VAL MG2 2 48 CYS HA 4.300 . 6.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
848 2 38 VAL HA 2 38 VAL MG2 2.200 . 6.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
849 2 38 VAL MG1 2 38 VAL MG2 2.000 . 2.500 2.086 2.086 2.086 . 0 0 "[ ]" 1
850 2 37 VAL MG1 2 38 VAL MG2 4.600 . 6.000 4.287 4.287 4.287 . 0 0 "[ ]" 1
851 2 97 VAL MG1 2 125 GLY HA3 2.700 . 3.600 2.758 2.758 2.758 . 0 0 "[ ]" 1
852 2 97 VAL HB 2 97 VAL MG1 2.200 . 2.800 2.127 2.127 2.127 . 0 0 "[ ]" 1
853 2 91 ALA MB 2 97 VAL HA 2.900 . 4.000 3.049 3.049 3.049 . 0 0 "[ ]" 1
854 2 91 ALA HA 2 91 ALA MB 2.200 . 2.800 2.085 2.085 2.085 . 0 0 "[ ]" 1
855 2 91 ALA MB 2 98 SER HB2 3.100 . 4.300 2.512 2.512 2.512 . 0 0 "[ ]" 1
856 2 91 ALA MB 2 96 GLU QB 2.500 . 3.300 2.855 2.855 2.855 . 0 0 "[ ]" 1
857 2 90 THR MG 2 91 ALA MB 3.300 . 4.700 3.902 3.902 3.902 . 0 0 "[ ]" 1
858 2 91 ALA MB 2 97 VAL MG2 3.900 . 5.800 4.527 4.527 4.527 . 0 0 "[ ]" 1
859 2 91 ALA MB 2 98 SER HB3 4.000 . 6.000 2.240 2.240 2.240 . 0 0 "[ ]" 1
860 2 119 ARG HA 2 124 THR MG 2.900 . 3.900 3.218 3.218 3.218 . 0 0 "[ ]" 1
861 2 124 THR HB 2 124 THR MG 1.900 . 2.400 2.091 2.091 2.091 . 0 0 "[ ]" 1
862 2 84 VAL MG1 2 104 ALA HA 2.300 . 3.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
863 2 84 VAL HA 2 84 VAL QG 2.000 . 2.500 2.128 2.128 2.128 . 0 0 "[ ]" 1
864 2 84 VAL QG 2 102 GLY HA2 3.000 . 6.000 4.082 4.082 4.082 . 0 0 "[ ]" 1
865 2 84 VAL QG 2 103 GLU HA 3.300 . 6.000 5.121 5.121 5.121 . 0 0 "[ ]" 1
866 2 84 VAL QG 2 134 LYS HE2 2.400 . 6.000 6.013 6.013 6.013 0.013 1 0 "[ ]" 1
867 2 84 VAL MG2 2 134 LYS HA 3.500 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
868 2 84 VAL MG2 2 133 GLN HB3 2.400 . 3.100 2.874 2.874 2.874 . 0 0 "[ ]" 1
869 2 84 VAL HB 2 84 VAL QG 1.900 . 2.300 1.880 1.880 1.880 . 0 0 "[ ]" 1
870 2 84 VAL MG1 2 104 ALA MB 2.200 . 2.800 2.080 2.080 2.080 . 0 0 "[ ]" 1
871 2 96 GLU HA 2 97 VAL MG2 3.600 . 5.200 2.970 2.970 2.970 . 0 0 "[ ]" 1
872 2 97 VAL HA 2 97 VAL MG2 2.200 . 2.800 2.798 2.798 2.798 . 0 0 "[ ]" 1
873 2 97 VAL MG2 2 127 PHE HB3 3.800 . 5.600 3.545 3.545 3.545 . 0 0 "[ ]" 1
874 2 97 VAL HB 2 97 VAL MG2 2.100 . 2.700 2.093 2.093 2.093 . 0 0 "[ ]" 1
875 2 97 VAL MG2 2 118 ILE HG13 3.000 . 4.100 2.953 2.953 2.953 . 0 0 "[ ]" 1
876 2 97 VAL MG2 2 99 LEU MD2 3.400 . 4.800 4.642 4.642 4.642 . 0 0 "[ ]" 1
877 2 38 VAL MG1 2 47 PHE QE 3.300 . 4.500 2.932 2.932 2.932 . 0 0 "[ ]" 1
878 2 38 VAL MG1 2 47 PHE QD 2.600 . 6.000 2.083 2.083 2.083 . 0 0 "[ ]" 1
879 2 38 VAL MG1 2 48 CYS HA 2.500 . 3.300 2.077 2.077 2.077 . 0 0 "[ ]" 1
880 2 37 VAL HA 2 38 VAL MG1 3.600 . 5.300 3.185 3.185 3.185 . 0 0 "[ ]" 1
881 2 38 VAL HA 2 38 VAL MG1 2.400 . 3.100 2.975 2.975 2.975 . 0 0 "[ ]" 1
882 2 38 VAL MG1 2 49 GLN HB2 2.400 . 3.100 2.511 2.511 2.511 . 0 0 "[ ]" 1
883 2 38 VAL HB 2 38 VAL MG1 2.100 . 2.600 2.123 2.123 2.123 . 0 0 "[ ]" 1
884 2 38 VAL MG1 2 54 ARG HB3 2.800 . 3.800 3.481 3.481 3.481 . 0 0 "[ ]" 1
885 2 15 ALA MB 2 62 LEU HA 3.400 . 4.900 3.326 3.326 3.326 . 0 0 "[ ]" 1
886 2 15 ALA HA 2 15 ALA MB 2.300 . 2.900 2.090 2.090 2.090 . 0 0 "[ ]" 1
887 2 15 ALA MB 2 18 ASP HA 3.800 . 5.600 4.959 4.959 4.959 . 0 0 "[ ]" 1
888 2 15 ALA MB 2 16 ILE HA 3.700 . 5.400 3.848 3.848 3.848 . 0 0 "[ ]" 1
889 2 15 ALA MB 2 61 PHE HB3 3.600 . 5.300 4.213 4.213 4.213 . 0 0 "[ ]" 1
890 2 15 ALA MB 2 31 THR HA 2.600 . 3.400 2.648 2.648 2.648 . 0 0 "[ ]" 1
891 2 15 ALA MB 2 33 ASP QB 2.800 . 3.800 3.341 3.341 3.341 . 0 0 "[ ]" 1
892 2 15 ALA MB 2 62 LEU MD2 2.700 . 3.600 2.538 2.538 2.538 . 0 0 "[ ]" 1
893 2 82 PRO HB3 2 104 ALA MB 3.800 . 5.600 4.405 4.405 4.405 . 0 0 "[ ]" 1
894 2 28 ALA HA 2 28 ALA MB 2.000 . 2.500 2.089 2.089 2.089 . 0 0 "[ ]" 1
895 2 20 GLU HA 2 28 ALA MB 2.600 . 3.500 3.065 3.065 3.065 . 0 0 "[ ]" 1
896 2 28 ALA MB 2 51 LYS QE 2.600 . 6.000 6.021 6.021 6.021 0.021 1 0 "[ ]" 1
897 2 19 TYR QB 2 28 ALA MB 4.100 . 6.000 5.851 5.851 5.851 . 0 0 "[ ]" 1
898 2 27 MET ME 2 28 ALA MB 2.800 . 6.000 4.978 4.978 4.978 . 0 0 "[ ]" 1
899 2 21 LYS HA 2 28 ALA MB 2.700 . 6.000 5.193 5.193 5.193 . 0 0 "[ ]" 1
900 2 27 MET HG3 2 28 ALA MB 4.100 . 6.000 5.324 5.324 5.324 . 0 0 "[ ]" 1
901 2 86 ILE MG 2 131 TYR HA 4.000 . 6.000 5.184 5.184 5.184 . 0 0 "[ ]" 1
902 2 86 ILE MG 2 101 GLU HA 4.200 . 6.000 5.769 5.769 5.769 . 0 0 "[ ]" 1
903 2 35 VAL MG2 2 37 VAL HA 3.500 . 5.000 4.293 4.293 4.293 . 0 0 "[ ]" 1
904 2 13 TYR HB3 2 35 VAL MG2 3.400 . 4.900 3.027 3.027 3.027 . 0 0 "[ ]" 1
905 2 35 VAL MG2 2 62 LEU HB2 3.400 . 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 1
906 2 13 TYR QD 2 35 VAL MG2 3.600 . 5.300 3.753 3.753 3.753 . 0 0 "[ ]" 1
907 2 35 VAL HB 2 35 VAL MG2 2.400 . 3.100 2.088 2.088 2.088 . 0 0 "[ ]" 1
908 2 88 ALA MB 2 89 TYR HA 3.400 . 4.800 3.912 3.912 3.912 . 0 0 "[ ]" 1
909 2 88 ALA HA 2 88 ALA MB 1.900 . 2.300 2.098 2.098 2.098 . 0 0 "[ ]" 1
910 2 87 LYS HA 2 88 ALA MB 3.900 . 5.800 3.949 3.949 3.949 . 0 0 "[ ]" 1
911 2 88 ALA MB 2 101 GLU HA 3.400 . 4.800 4.045 4.045 4.045 . 0 0 "[ ]" 1
912 2 88 ALA MB 2 101 GLU QG 3.500 . 5.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
913 2 88 ALA MB 2 101 GLU QB 2.800 . 3.800 2.707 2.707 2.707 . 0 0 "[ ]" 1
914 2 88 ALA MB 2 100 LEU MD1 2.300 . 3.000 2.304 2.304 2.304 . 0 0 "[ ]" 1
915 2 84 VAL HA 2 104 ALA MB 2.900 . 4.000 3.103 3.103 3.103 . 0 0 "[ ]" 1
916 2 104 ALA HA 2 104 ALA MB 2.000 . 2.500 2.094 2.094 2.094 . 0 0 "[ ]" 1
917 2 104 ALA MB 2 118 ILE MD 4.600 . 6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1
918 2 104 ALA MB 2 105 VAL MG1 4.000 . 6.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
919 1 20 ALA HA 1 20 ALA MB 2.000 . 2.500 2.124 2.124 2.124 . 0 0 "[ ]" 1
920 1 19 GLU HA 1 20 ALA MB 4.000 . 6.000 5.003 5.003 5.003 . 0 0 "[ ]" 1
921 1 17 PRO HD3 1 20 ALA MB 3.600 . 5.200 3.354 3.354 3.354 . 0 0 "[ ]" 1
922 1 16 PRO HB3 1 20 ALA MB 2.700 . 3.600 3.300 3.300 3.300 . 0 0 "[ ]" 1
923 1 20 ALA MB 1 21 ARG QG 3.000 . 4.100 3.131 3.131 3.131 . 0 0 "[ ]" 1
924 2 116 TRP HE3 2 118 ILE MG 3.900 . 5.800 4.182 4.182 4.182 . 0 0 "[ ]" 1
925 2 118 ILE HA 2 118 ILE MG 2.700 . 3.600 2.739 2.739 2.739 . 0 0 "[ ]" 1
926 2 118 ILE MG 2 127 PHE HB2 2.900 . 3.900 1.880 1.880 1.880 0.020 1 0 "[ ]" 1
927 2 118 ILE HB 2 118 ILE MG 2.400 . 3.100 2.112 2.112 2.112 . 0 0 "[ ]" 1
928 2 116 TRP HB3 2 118 ILE MG 3.000 . 4.100 3.180 3.180 3.180 . 0 0 "[ ]" 1
929 2 86 ILE MG 2 132 LEU HA 3.800 . 5.600 2.118 2.118 2.118 . 0 0 "[ ]" 1
930 2 86 ILE MG 2 133 GLN HA 3.800 . 5.600 3.650 3.650 3.650 . 0 0 "[ ]" 1
931 2 86 ILE MG 2 87 LYS HA 4.100 . 6.000 5.654 5.654 5.654 . 0 0 "[ ]" 1
932 2 86 ILE MG 2 133 GLN HB3 3.000 . 4.100 2.635 2.635 2.635 . 0 0 "[ ]" 1
933 2 86 ILE HB 2 86 ILE MG 2.100 . 2.600 2.114 2.114 2.114 . 0 0 "[ ]" 1
934 2 86 ILE MG 2 101 GLU QG 2.600 . 6.000 5.217 5.217 5.217 . 0 0 "[ ]" 1
935 2 86 ILE QG 2 86 ILE MG 2.600 . 3.400 2.059 2.059 2.059 . 0 0 "[ ]" 1
936 1 17 PRO HD2 1 20 ALA MB 2.600 . 3.400 1.997 1.997 1.997 . 0 0 "[ ]" 1
937 1 20 ALA MB 2 17 ALA MB 3.200 . 6.000 4.638 4.638 4.638 . 0 0 "[ ]" 1
938 2 16 ILE MG 2 62 LEU HA 3.500 . 5.100 4.591 4.591 4.591 . 0 0 "[ ]" 1
939 2 16 ILE HA 2 16 ILE MG 2.300 . 2.900 2.344 2.344 2.344 . 0 0 "[ ]" 1
940 2 16 ILE MG 2 63 GLU HG3 3.200 . 4.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
941 2 16 ILE HB 2 16 ILE MG 2.100 . 2.700 2.125 2.125 2.125 . 0 0 "[ ]" 1
942 2 16 ILE MG 2 63 GLU HB3 2.700 . 3.600 2.223 2.223 2.223 . 0 0 "[ ]" 1
943 2 15 ALA MB 2 16 ILE MG 3.600 . 5.200 4.112 4.112 4.112 . 0 0 "[ ]" 1
944 1 20 ALA MB 2 16 ILE MG 3.900 . 5.800 4.323 4.323 4.323 . 0 0 "[ ]" 1
945 2 52 ALA MB 2 53 LYS HA 3.700 . 5.400 4.031 4.031 4.031 . 0 0 "[ ]" 1
946 2 52 ALA HA 2 52 ALA MB 1.900 . 2.400 2.124 2.124 2.124 . 0 0 "[ ]" 1
947 2 51 LYS HA 2 52 ALA MB 2.700 . 6.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
948 2 51 LYS HE3 2 52 ALA MB 3.100 . 4.300 2.836 2.836 2.836 . 0 0 "[ ]" 1
949 1 17 PRO HA 1 18 ALA MB 4.200 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 1
950 2 79 ALA HA 2 79 ALA MB 1.900 . 2.400 2.103 2.103 2.103 . 0 0 "[ ]" 1
951 2 85 ALA MB 2 132 LEU HA 3.600 . 5.200 4.232 4.232 4.232 . 0 0 "[ ]" 1
952 2 85 ALA HA 2 85 ALA MB 2.300 . 3.000 2.092 2.092 2.092 . 0 0 "[ ]" 1
953 2 85 ALA MB 2 99 LEU HA 3.900 . 5.800 4.361 4.361 4.361 . 0 0 "[ ]" 1
954 2 85 ALA MB 2 101 GLU HA 2.900 . 3.900 3.342 3.342 3.342 . 0 0 "[ ]" 1
955 2 85 ALA MB 2 103 GLU HB3 3.400 . 4.900 3.671 3.671 3.671 . 0 0 "[ ]" 1
956 2 85 ALA MB 2 99 LEU HB3 2.700 . 3.600 2.248 2.248 2.248 . 0 0 "[ ]" 1
957 2 85 ALA MB 2 99 LEU MD2 2.400 . 3.100 1.791 1.791 1.791 . 0 0 "[ ]" 1
958 2 85 ALA MB 2 103 GLU HB2 2.700 . 3.600 2.816 2.816 2.816 . 0 0 "[ ]" 1
959 2 85 ALA MB 2 99 LEU MD1 3.000 . 4.100 3.904 3.904 3.904 . 0 0 "[ ]" 1
960 1 18 ALA HA 1 18 ALA MB 2.000 . 2.500 2.088 2.088 2.088 . 0 0 "[ ]" 1
961 1 17 PRO HB2 1 18 ALA MB 3.900 . 5.800 4.394 4.394 4.394 . 0 0 "[ ]" 1
962 1 18 ALA MB 1 19 GLU HG2 4.000 . 6.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
963 2 83 TYR QD 2 105 VAL MG1 3.900 . 5.800 4.598 4.598 4.598 . 0 0 "[ ]" 1
964 2 105 VAL MG1 2 132 LEU HA 4.000 . 6.000 5.444 5.444 5.444 . 0 0 "[ ]" 1
965 2 105 VAL MG1 2 118 ILE HA 4.000 . 6.000 4.519 4.519 4.519 . 0 0 "[ ]" 1
966 2 105 VAL HA 2 105 VAL MG1 3.000 . 4.100 3.185 3.185 3.185 . 0 0 "[ ]" 1
967 2 105 VAL MG1 2 107 VAL HA 3.700 . 5.400 4.862 4.862 4.862 . 0 0 "[ ]" 1
968 2 83 TYR QB 2 105 VAL MG1 2.800 . 3.800 2.762 2.762 2.762 . 0 0 "[ ]" 1
969 2 105 VAL HB 2 105 VAL MG1 2.400 . 3.100 2.114 2.114 2.114 . 0 0 "[ ]" 1
970 2 105 VAL MG1 2 118 ILE MG 3.300 . 4.700 3.493 3.493 3.493 . 0 0 "[ ]" 1
971 2 99 LEU MD2 2 105 VAL MG1 2.900 . 3.900 2.021 2.021 2.021 . 0 0 "[ ]" 1
972 2 99 LEU HG 2 105 VAL MG1 4.200 . 6.000 4.174 4.174 4.174 . 0 0 "[ ]" 1
973 2 85 ALA MB 2 103 GLU HG3 4.500 . 6.000 4.734 4.734 4.734 . 0 0 "[ ]" 1
974 2 29 LEU HA 2 50 MET ME 2.500 . 3.300 2.579 2.579 2.579 . 0 0 "[ ]" 1
975 2 33 ASP HA 2 50 MET ME 2.300 . 6.000 5.750 5.750 5.750 . 0 0 "[ ]" 1
976 2 50 MET ME 2 51 LYS QE 2.100 . 6.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
977 2 33 ASP HB3 2 50 MET ME 2.500 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 1
978 2 50 MET ME 2 50 MET HG3 2.400 . 3.100 2.091 2.091 2.091 . 0 0 "[ ]" 1
979 2 50 MET HB2 2 50 MET ME 2.900 . 3.900 3.664 3.664 3.664 . 0 0 "[ ]" 1
980 2 27 MET ME 2 50 MET ME 2.300 . 2.900 1.809 1.809 1.809 . 0 0 "[ ]" 1
981 2 27 MET HB2 2 50 MET ME 2.700 . 3.600 3.214 3.214 3.214 . 0 0 "[ ]" 1
982 2 29 LEU MD1 2 50 MET ME 2.200 . 2.800 1.918 1.918 1.918 . 0 0 "[ ]" 1
983 2 35 VAL MG1 2 50 MET ME 2.400 . 3.100 1.860 1.860 1.860 . 0 0 "[ ]" 1
984 2 27 MET ME 2 37 VAL HA 4.000 . 6.000 5.817 5.817 5.817 . 0 0 "[ ]" 1
985 2 27 MET ME 2 55 GLY HA2 4.200 . 6.000 5.291 5.291 5.291 . 0 0 "[ ]" 1
986 2 27 MET ME 2 51 LYS QE 3.300 . 6.000 5.382 5.382 5.382 . 0 0 "[ ]" 1
987 2 27 MET ME 2 50 MET HG2 2.600 . 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 1
988 2 27 MET ME 2 27 MET HG3 2.400 . 3.100 2.209 2.209 2.209 . 0 0 "[ ]" 1
989 2 27 MET ME 2 29 LEU MD1 2.300 . 3.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
990 2 27 MET ME 2 35 VAL QG 2.300 . 3.000 2.186 2.186 2.186 . 0 0 "[ ]" 1
991 2 27 MET ME 2 55 GLY HA3 3.400 . 6.000 4.289 4.289 4.289 . 0 0 "[ ]" 1
992 2 45 TRP HD1 2 130 MET ME 2.500 . 3.300 1.982 1.982 1.982 . 0 0 "[ ]" 1
993 2 130 MET ME 2 131 TYR QE 2.100 . 6.000 3.861 3.861 3.861 . 0 0 "[ ]" 1
994 2 130 MET ME 2 131 TYR QD 2.600 . 6.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
995 1 11 ASN HA 2 130 MET ME 3.200 . 4.500 3.887 3.887 3.887 . 0 0 "[ ]" 1
996 2 130 MET ME 2 131 TYR HA 2.900 . 6.000 5.796 5.796 5.796 . 0 0 "[ ]" 1
997 1 12 PRO HA 2 130 MET ME 2.600 . 3.400 1.883 1.883 1.883 . 0 0 "[ ]" 1
998 1 10 SER HA 2 130 MET ME 1.900 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
999 2 43 SER QB 2 130 MET ME 2.200 . 2.800 2.835 2.835 2.835 0.035 1 0 "[ ]" 1
1000 1 12 PRO HD3 2 130 MET ME 2.300 . 2.900 2.835 2.835 2.835 . 0 0 "[ ]" 1
1001 1 12 PRO HD2 2 130 MET ME 3.700 . 5.400 4.075 4.075 4.075 . 0 0 "[ ]" 1
1002 1 13 PRO HD3 2 130 MET ME 3.300 . 4.700 2.947 2.947 2.947 . 0 0 "[ ]" 1
1003 1 13 PRO HD2 2 130 MET ME 3.400 . 4.900 3.559 3.559 3.559 . 0 0 "[ ]" 1
1004 2 45 TRP HB2 2 130 MET ME 2.600 . 6.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
1005 2 130 MET ME 2 130 MET HG3 2.400 . 3.100 2.079 2.079 2.079 . 0 0 "[ ]" 1
1006 2 130 MET HB3 2 130 MET ME 2.800 . 3.800 3.497 3.497 3.497 . 0 0 "[ ]" 1
1007 1 8 PRO HB3 2 130 MET ME 2.500 . 6.000 4.663 4.663 4.663 . 0 0 "[ ]" 1
1008 2 128 PRO HB3 2 130 MET ME 2.800 . 3.800 3.819 3.819 3.819 0.019 1 0 "[ ]" 1
1009 1 9 PRO HB2 2 130 MET ME 2.800 . 6.000 3.847 3.847 3.847 . 0 0 "[ ]" 1
1010 2 118 ILE MD 2 124 THR HA 4.500 . 6.000 5.753 5.753 5.753 . 0 0 "[ ]" 1
1011 2 97 VAL HA 2 118 ILE MD 4.200 . 6.000 5.231 5.231 5.231 . 0 0 "[ ]" 1
1012 2 118 ILE MD 2 127 PHE HB3 3.000 . 4.100 3.071 3.071 3.071 . 0 0 "[ ]" 1
1013 2 118 ILE MD 2 127 PHE HB2 2.600 . 3.500 2.747 2.747 2.747 . 0 0 "[ ]" 1
1014 2 105 VAL HB 2 118 ILE MD 2.800 . 3.800 2.593 2.593 2.593 . 0 0 "[ ]" 1
1015 2 97 VAL HB 2 118 ILE MD 2.600 . 3.400 2.724 2.724 2.724 . 0 0 "[ ]" 1
1016 2 118 ILE MD 2 118 ILE HG13 2.400 . 3.100 2.073 2.073 2.073 . 0 0 "[ ]" 1
1017 2 105 VAL MG2 2 118 ILE MD 2.100 . 2.700 1.942 1.942 1.942 . 0 0 "[ ]" 1
1018 2 99 LEU MD2 2 118 ILE MD 2.400 . 3.100 1.892 1.892 1.892 . 0 0 "[ ]" 1
1019 2 118 ILE HA 2 118 ILE MD 3.800 . 5.600 4.029 4.029 4.029 . 0 0 "[ ]" 1
1020 2 118 ILE HB 2 118 ILE MD 2.500 . 3.300 2.269 2.269 2.269 . 0 0 "[ ]" 1
1021 2 78 TYR QD 2 108 ILE MG 3.000 . 3.800 2.157 2.157 2.157 . 0 0 "[ ]" 1
1022 2 78 TYR QE 2 108 ILE MG 3.300 . 4.100 2.760 2.760 2.760 . 0 0 "[ ]" 1
1023 2 108 ILE MG 2 118 ILE HA 4.300 . 6.000 5.906 5.906 5.906 . 0 0 "[ ]" 1
1024 2 108 ILE MG 2 109 HIS HA 3.400 . 4.900 4.522 4.522 4.522 . 0 0 "[ ]" 1
1025 2 108 ILE HA 2 108 ILE MG 2.300 . 3.000 2.236 2.236 2.236 . 0 0 "[ ]" 1
1026 2 78 TYR HA 2 108 ILE MG 2.400 . 3.100 1.885 1.885 1.885 . 0 0 "[ ]" 1
1027 2 108 ILE MG 2 124 THR HB 3.200 . 4.500 3.894 3.894 3.894 . 0 0 "[ ]" 1
1028 2 78 TYR HB2 2 108 ILE MG 3.900 . 5.800 3.933 3.933 3.933 . 0 0 "[ ]" 1
1029 2 108 ILE MG 2 109 HIS HB2 3.000 . 4.100 3.405 3.405 3.405 . 0 0 "[ ]" 1
1030 2 106 GLU HB2 2 108 ILE MG 3.900 . 5.800 5.864 5.864 5.864 0.064 1 0 "[ ]" 1
1031 2 108 ILE HB 2 108 ILE MG 2.200 . 2.800 2.120 2.120 2.120 . 0 0 "[ ]" 1
1032 2 108 ILE MG 2 124 THR MG 2.600 . 3.400 2.979 2.979 2.979 . 0 0 "[ ]" 1
1033 2 46 TRP HD1 2 59 ALA MB 3.400 . 4.600 3.920 3.920 3.920 . 0 0 "[ ]" 1
1034 2 46 TRP HZ2 2 59 ALA MB 3.300 . 4.700 3.925 3.925 3.925 . 0 0 "[ ]" 1
1035 2 46 TRP HH2 2 59 ALA MB 3.800 . 5.600 4.204 4.204 4.204 . 0 0 "[ ]" 1
1036 2 59 ALA MB 2 113 ASP HA 2.500 . 3.300 2.912 2.912 2.912 . 0 0 "[ ]" 1
1037 2 59 ALA MB 2 64 PRO HD3 4.000 . 6.000 5.619 5.619 5.619 . 0 0 "[ ]" 1
1038 2 59 ALA MB 2 113 ASP HB3 3.500 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
1039 2 59 ALA HA 2 59 ALA MB 2.300 . 2.900 2.121 2.121 2.121 . 0 0 "[ ]" 1
1040 2 59 ALA MB 2 112 LEU HB3 3.300 . 4.700 2.967 2.967 2.967 . 0 0 "[ ]" 1
1041 2 59 ALA MB 2 62 LEU MD1 3.400 . 4.800 3.800 3.800 3.800 . 0 0 "[ ]" 1
1042 2 59 ALA MB 2 113 ASP HB2 3.600 . 5.200 5.057 5.057 5.057 . 0 0 "[ ]" 1
1043 2 57 ILE MD 2 59 ALA MB 3.800 . 6.000 5.638 5.638 5.638 . 0 0 "[ ]" 1
1044 2 57 ILE HA 2 57 ILE MD 3.500 . 5.100 4.137 4.137 4.137 . 0 0 "[ ]" 1
1045 2 46 TRP QB 2 57 ILE MD 3.300 . 4.700 3.689 3.689 3.689 . 0 0 "[ ]" 1
1046 2 48 CYS HB3 2 57 ILE MD 3.100 . 4.300 3.169 3.169 3.169 . 0 0 "[ ]" 1
1047 2 48 CYS HB2 2 57 ILE MD 2.600 . 3.400 1.827 1.827 1.827 . 0 0 "[ ]" 1
1048 2 57 ILE MD 2 58 PRO HD2 3.200 . 4.500 4.528 4.528 4.528 0.028 1 0 "[ ]" 1
1049 2 50 MET ME 2 57 ILE MD 3.400 . 4.800 3.067 3.067 3.067 . 0 0 "[ ]" 1
1050 2 86 ILE MD 2 133 GLN HA 3.300 . 4.700 4.593 4.593 4.593 . 0 0 "[ ]" 1
1051 2 86 ILE MD 2 131 TYR HB3 3.800 . 5.600 5.332 5.332 5.332 . 0 0 "[ ]" 1
1052 2 86 ILE MD 2 131 TYR HB2 4.100 . 6.000 5.611 5.611 5.611 . 0 0 "[ ]" 1
1053 2 86 ILE MD 2 131 TYR QD 3.400 . 6.000 4.924 4.924 4.924 . 0 0 "[ ]" 1
1054 2 86 ILE MD 2 132 LEU HA 3.700 . 5.400 3.867 3.867 3.867 . 0 0 "[ ]" 1
1055 2 85 ALA HA 2 86 ILE MD 4.200 . 6.000 5.691 5.691 5.691 . 0 0 "[ ]" 1
1056 2 86 ILE MD 2 131 TYR HA 2.600 . 3.400 3.304 3.304 3.304 . 0 0 "[ ]" 1
1057 2 86 ILE HA 2 86 ILE MD 3.400 . 4.800 3.981 3.981 3.981 . 0 0 "[ ]" 1
1058 2 86 ILE MD 2 87 LYS HA 4.000 . 6.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
1059 2 86 ILE MD 2 133 GLN HB3 3.300 . 4.700 4.169 4.169 4.169 . 0 0 "[ ]" 1
1060 2 86 ILE HB 2 86 ILE MD 2.100 . 2.700 2.017 2.017 2.017 . 0 0 "[ ]" 1
1061 2 86 ILE MD 2 86 ILE QG 2.100 . 2.600 1.849 1.849 1.849 . 0 0 "[ ]" 1
1062 2 86 ILE MD 2 132 LEU QD 4.400 . 6.000 5.198 5.198 5.198 . 0 0 "[ ]" 1
1063 2 16 ILE MD 2 61 PHE QD 3.800 . 5.600 3.984 3.984 3.984 . 0 0 "[ ]" 1
1064 2 16 ILE MD 2 62 LEU HA 3.900 . 5.800 5.116 5.116 5.116 . 0 0 "[ ]" 1
1065 2 15 ALA HA 2 16 ILE MD 4.100 . 6.000 5.104 5.104 5.104 . 0 0 "[ ]" 1
1066 1 17 PRO HD2 2 16 ILE MD 3.200 . 4.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
1067 2 16 ILE HB 2 16 ILE MD 2.300 . 3.000 2.382 2.382 2.382 . 0 0 "[ ]" 1
1068 1 21 ARG QG 2 16 ILE MD 2.400 . 6.000 5.535 5.535 5.535 . 0 0 "[ ]" 1
1069 1 20 ALA MB 2 16 ILE MD 2.400 . 3.100 1.869 1.869 1.869 . 0 0 "[ ]" 1
1070 2 106 GLU HA 2 108 ILE MD 3.500 . 5.100 4.695 4.695 4.695 . 0 0 "[ ]" 1
1071 2 78 TYR QD 2 108 ILE MD 3.100 . 4.000 2.396 2.396 2.396 . 0 0 "[ ]" 1
1072 2 108 ILE MD 2 124 THR HA 4.500 . 6.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
1073 2 108 ILE MD 2 119 ARG HA 4.200 . 6.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
1074 2 108 ILE MD 2 118 ILE HA 3.900 . 5.800 4.528 4.528 4.528 . 0 0 "[ ]" 1
1075 2 108 ILE HA 2 108 ILE MD 2.300 . 3.000 1.981 1.981 1.981 . 0 0 "[ ]" 1
1076 2 108 ILE MD 2 124 THR HB 3.400 . 4.800 4.160 4.160 4.160 . 0 0 "[ ]" 1
1077 2 108 ILE MD 2 119 ARG HD2 3.000 . 4.100 2.332 2.332 2.332 . 0 0 "[ ]" 1
1078 2 108 ILE MD 2 119 ARG HD3 3.600 . 5.200 3.734 3.734 3.734 . 0 0 "[ ]" 1
1079 2 106 GLU HG3 2 108 ILE MD 4.000 . 6.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
1080 2 106 GLU HB2 2 108 ILE MD 2.900 . 4.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
1081 2 108 ILE MD 2 119 ARG HB3 2.500 . 3.300 1.827 1.827 1.827 . 0 0 "[ ]" 1
1082 2 108 ILE HB 2 108 ILE MD 2.900 . 3.900 3.229 3.229 3.229 . 0 0 "[ ]" 1
1083 2 108 ILE MD 2 124 THR MG 2.600 . 3.400 2.968 2.968 2.968 . 0 0 "[ ]" 1
1084 2 89 TYR H 2 100 LEU HA 2.000 . 3.000 3.034 3.034 3.034 0.034 1 0 "[ ]" 1
1085 2 40 LYS HA 2 47 PHE H 2.000 . 3.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
1086 2 83 TYR H 2 105 VAL H 2.000 . 3.000 3.117 3.117 3.117 0.117 1 0 "[ ]" 1
1087 2 83 TYR H 2 106 GLU HA 2.000 . 3.000 3.033 3.033 3.033 0.033 1 0 "[ ]" 1
1088 2 85 ALA H 2 104 ALA HA 2.000 . 3.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
1089 2 48 CYS H 2 55 GLY H 2.000 . 3.000 2.968 2.968 2.968 . 0 0 "[ ]" 1
1090 2 48 CYS H 2 56 TRP HA 2.000 . 4.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
1091 2 82 PRO HA 2 107 VAL H 2.000 . 3.000 3.128 3.128 3.128 0.128 1 0 "[ ]" 1
1092 2 13 TYR H 2 36 GLU HA 2.000 . 4.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
1093 2 13 TYR H 2 35 VAL H 2.000 . 3.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
1094 2 14 ARG H 2 64 PRO HA 2.000 . 4.000 3.316 3.316 3.316 . 0 0 "[ ]" 1
1095 2 15 ALA HA 2 63 GLU H 2.000 . 3.000 3.061 3.061 3.061 0.061 1 0 "[ ]" 1
1096 2 106 GLU H 2 120 LYS HA 2.000 . 3.000 3.073 3.073 3.073 0.073 1 0 "[ ]" 1
1097 2 20 GLU HA 2 29 LEU H 2.000 . 3.000 3.040 3.040 3.040 0.040 1 0 "[ ]" 1
1098 2 19 TYR HE1 2 45 TRP HH2 2.000 . 3.000 3.032 3.032 3.032 0.032 1 0 "[ ]" 1
1099 2 89 TYR HE1 2 115 TRP HH2 2.000 . 3.000 3.026 3.026 3.026 0.026 1 0 "[ ]" 1
1100 1 11 ASN H 2 45 TRP HE1 2.000 . 6.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
1101 1 12 PRO HA 2 45 TRP HE1 2.000 . 4.000 1.986 1.986 1.986 0.014 1 0 "[ ]" 1
1102 1 12 PRO QD 2 45 TRP HE1 2.000 . 4.000 4.119 4.119 4.119 0.119 1 0 "[ ]" 1
1103 1 9 PRO QD 2 45 TRP HE1 2.000 . 4.000 3.979 3.979 3.979 . 0 0 "[ ]" 1
1104 1 9 PRO QB 2 45 TRP HE1 2.000 . 4.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
1105 1 8 PRO QG 2 45 TRP HE1 2.000 . 7.000 6.504 6.504 6.504 . 0 0 "[ ]" 1
1106 1 9 PRO QG 2 45 TRP HE1 2.000 . 4.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
1107 1 7 GLN H 2 56 TRP HE1 2.000 . 6.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
1108 1 7 GLN HA 2 56 TRP HE1 2.000 . 6.000 5.441 5.441 5.441 . 0 0 "[ ]" 1
1109 1 6 LYS HA 2 56 TRP HE1 2.000 . 6.000 4.705 4.705 4.705 . 0 0 "[ ]" 1
1110 1 8 PRO HA 2 56 TRP HE1 2.000 . 4.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
1111 1 7 GLN QB 2 56 TRP HE1 2.000 . 7.000 5.401 5.401 5.401 . 0 0 "[ ]" 1
1112 1 8 PRO QB 2 56 TRP HE1 2.000 . 7.000 5.480 5.480 5.480 . 0 0 "[ ]" 1
1113 1 14 PRO HA 2 115 TRP HE1 2.000 . 7.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
1114 1 15 ARG HA 2 115 TRP HE1 2.000 . 7.000 4.698 4.698 4.698 . 0 0 "[ ]" 1
1115 1 16 PRO QD 2 115 TRP HE1 2.000 . 7.000 5.892 5.892 5.892 . 0 0 "[ ]" 1
1116 2 47 PHE HZ 2 56 TRP HE1 2.000 . 6.000 5.319 5.319 5.319 . 0 0 "[ ]" 1
1117 1 7 GLN QG 2 56 TRP HE1 2.000 . 6.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
1118 1 9 PRO HA 2 45 TRP HE1 2.000 . 6.000 5.743 5.743 5.743 . 0 0 "[ ]" 1
1119 1 13 PRO HA 2 115 TRP HE1 2.000 . 6.000 4.890 4.890 4.890 . 0 0 "[ ]" 1
1120 1 13 PRO QD 2 115 TRP HE1 2.000 . 6.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
1121 1 15 ARG QG 2 115 TRP HE1 2.000 . 6.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
1122 1 13 PRO QG 2 115 TRP HE1 2.000 . 6.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
1123 2 83 TYR QD 2 134 LYS H 2.000 . 6.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
1124 2 14 ARG HA 2 15 ALA H 2.000 . 6.000 2.195 2.195 2.195 . 0 0 "[ ]" 1
1125 2 48 CYS H 2 50 MET QG 2.000 . 6.000 5.988 5.988 5.988 . 0 0 "[ ]" 1
1126 2 48 CYS H 2 55 GLY QA 2.000 . 6.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
1127 2 17 ALA H 2 61 PHE QD 2.000 . 6.000 4.751 4.751 4.751 . 0 0 "[ ]" 1
1128 2 58 PRO HA 2 61 PHE H 2.000 . 6.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
1129 2 83 TYR QD 2 132 LEU H 2.000 . 6.000 5.278 5.278 5.278 . 0 0 "[ ]" 1
1130 2 131 TYR QB 2 132 LEU H 2.000 . 6.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
1131 2 86 ILE HB 2 132 LEU H 2.000 . 6.000 6.168 6.168 6.168 0.168 1 0 "[ ]" 1
1132 2 119 ARG H 2 125 GLY QA 2.000 . 6.000 6.223 6.223 6.223 0.223 1 0 "[ ]" 1
1133 2 81 GLU H 2 83 TYR QD 2.000 . 6.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
1134 2 85 ALA H 2 133 GLN H 2.000 . 6.000 5.079 5.079 5.079 . 0 0 "[ ]" 1
1135 2 13 TYR QD 2 63 GLU H 2.000 . 6.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
1136 2 96 GLU H 2 115 TRP HE3 2.000 . 6.000 6.049 6.049 6.049 0.049 1 0 "[ ]" 1
1137 2 13 TYR QD 2 62 LEU H 2.000 . 6.000 6.027 6.027 6.027 0.027 1 0 "[ ]" 1
1138 2 109 HIS HA 2 117 VAL H 2.000 . 6.000 5.364 5.364 5.364 . 0 0 "[ ]" 1
1139 2 19 TYR QD 2 29 LEU H 2.000 . 6.000 3.023 3.023 3.023 . 0 0 "[ ]" 1
1140 2 16 ILE H 2 63 GLU H 2.000 . 6.000 4.960 4.960 4.960 . 0 0 "[ ]" 1
1141 2 39 GLU H 2 54 ARG QD 2.000 . 6.000 6.060 6.060 6.060 0.060 1 0 "[ ]" 1
1142 2 39 GLU H 2 54 ARG QB 2.000 . 6.000 6.047 6.047 6.047 0.047 1 0 "[ ]" 1
1143 2 41 SER H 2 46 TRP HE1 2.000 . 6.000 3.194 3.194 3.194 . 0 0 "[ ]" 1
1144 1 9 PRO QG 1 10 SER H 2.000 . 6.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
1145 2 45 TRP HE1 2 114 GLY QA 2.000 . 6.000 6.044 6.044 6.044 0.044 1 0 "[ ]" 1
1146 2 47 PHE QD 2 48 CYS H 2.000 . 6.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
1147 1 18 ALA H 1 22 LYS H 2.000 . 6.000 5.981 5.981 5.981 . 0 0 "[ ]" 1
1148 2 13 TYR QD 2 37 VAL H 2.000 . 6.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
1149 2 89 TYR QD 2 99 LEU H 2.000 . 5.800 3.381 3.381 3.381 . 0 0 "[ ]" 1
1150 2 129 SER HA 2 131 TYR H 2.000 . 5.400 4.583 4.583 4.583 . 0 0 "[ ]" 1
1151 2 39 GLU H 2 47 PHE QD 2.000 . 6.000 3.044 3.044 3.044 . 0 0 "[ ]" 1
1152 2 12 THR H 2 13 TYR QD 2.000 . 6.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
1153 1 9 PRO HD2 2 56 TRP HE1 4.900 . 6.000 5.515 5.515 5.515 . 0 0 "[ ]" 1
1154 1 7 GLN H 2 56 TRP HE1 3.200 . 6.000 4.392 4.392 4.392 . 0 0 "[ ]" 1
1155 2 47 PHE QE 2 56 TRP HE1 4.600 . 6.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
1156 1 9 PRO HD3 2 56 TRP HE1 4.200 . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
1157 1 6 LYS HB3 2 56 TRP HE1 3.800 . 5.600 3.661 3.661 3.661 . 0 0 "[ ]" 1
1158 1 6 LYS HG3 2 56 TRP HE1 3.400 . 4.800 4.563 4.563 4.563 . 0 0 "[ ]" 1
1159 1 9 PRO HG3 2 56 TRP HE1 4.100 . 6.000 4.704 4.704 4.704 . 0 0 "[ ]" 1
1160 1 8 PRO HB2 2 56 TRP HE1 3.100 . 6.000 5.060 5.060 5.060 . 0 0 "[ ]" 1
1161 2 109 HIS HB2 2 110 LYS H 4.700 . 6.000 3.879 3.879 3.879 . 0 0 "[ ]" 1
1162 2 74 PRO HB2 2 110 LYS H 4.400 . 6.000 4.117 4.117 4.117 . 0 0 "[ ]" 1
1163 2 109 HIS H 2 110 LYS H 4.200 . 6.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
1164 2 109 HIS HD2 2 110 LYS H 2.700 . 3.600 1.784 1.784 1.784 0.016 1 0 "[ ]" 1
1165 2 109 HIS HA 2 110 LYS H 2.400 . 3.100 2.208 2.208 2.208 . 0 0 "[ ]" 1
1166 2 76 PRO HA 2 110 LYS H 3.000 . 6.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
1167 2 109 HIS HB3 2 110 LYS H 4.000 . 6.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
1168 2 74 PRO HB2 2 110 LYS H 4.500 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
1169 2 76 PRO HB3 2 110 LYS H 3.000 . 4.100 3.693 3.693 3.693 . 0 0 "[ ]" 1
1170 2 110 LYS H 2 110 LYS HB2 2.800 . 3.800 2.970 2.970 2.970 . 0 0 "[ ]" 1
1171 2 110 LYS H 2 111 LEU MD2 4.600 . 6.000 5.024 5.024 5.024 . 0 0 "[ ]" 1
1172 2 110 LYS H 2 110 LYS HG3 2.600 . 3.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
1173 2 110 LYS H 2 110 LYS HG2 4.000 . 6.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
1174 1 13 PRO HD2 2 45 TRP HE1 4.000 . 6.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
1175 1 9 PRO HB3 2 45 TRP HE1 3.600 . 5.200 4.510 4.510 4.510 . 0 0 "[ ]" 1
1176 1 9 PRO HG3 2 45 TRP HE1 4.300 . 6.000 5.406 5.406 5.406 . 0 0 "[ ]" 1
1177 1 9 PRO HB2 2 45 TRP HE1 3.400 . 4.900 2.875 2.875 2.875 . 0 0 "[ ]" 1
1178 1 9 PRO HG2 2 45 TRP HE1 3.700 . 5.400 3.946 3.946 3.946 . 0 0 "[ ]" 1
1179 2 47 PHE H 2 56 TRP HA 4.500 . 6.000 4.750 4.750 4.750 . 0 0 "[ ]" 1
1180 2 37 VAL HB 2 47 PHE H 3.900 . 5.800 4.289 4.289 4.289 . 0 0 "[ ]" 1
1181 2 46 TRP H 2 47 PHE H 4.500 . 6.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
1182 2 38 VAL H 2 47 PHE H 4.300 . 6.000 4.701 4.701 4.701 . 0 0 "[ ]" 1
1183 2 47 PHE H 2 48 CYS H 4.400 . 6.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
1184 2 39 GLU H 2 47 PHE H 3.400 . 4.500 3.756 3.756 3.756 . 0 0 "[ ]" 1
1185 2 41 SER H 2 47 PHE H 4.100 . 6.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
1186 2 46 TRP HD1 2 47 PHE H 5.000 . 6.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
1187 2 47 PHE H 2 47 PHE QE 4.100 . 6.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
1188 2 46 TRP HA 2 47 PHE H 2.500 . 3.300 2.210 2.210 2.210 . 0 0 "[ ]" 1
1189 2 47 PHE H 2 47 PHE HA 2.900 . 4.000 2.935 2.935 2.935 . 0 0 "[ ]" 1
1190 2 46 TRP QB 2 47 PHE H 3.400 . 4.800 2.879 2.879 2.879 . 0 0 "[ ]" 1
1191 2 47 PHE H 2 47 PHE HB3 2.900 . 4.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
1192 2 47 PHE H 2 47 PHE HB2 2.700 . 3.600 2.606 2.606 2.606 . 0 0 "[ ]" 1
1193 2 37 VAL MG2 2 47 PHE H 4.300 . 6.000 5.223 5.223 5.223 . 0 0 "[ ]" 1
1194 2 37 VAL MG1 2 47 PHE H 3.800 . 6.000 3.217 3.217 3.217 . 0 0 "[ ]" 1
1195 2 45 TRP HZ2 2 115 TRP HE1 3.000 . 4.100 2.817 2.817 2.817 . 0 0 "[ ]" 1
1196 1 12 PRO HA 2 115 TRP HE1 2.700 . 6.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
1197 1 12 PRO HG3 2 115 TRP HE1 3.700 . 5.400 5.323 5.323 5.323 . 0 0 "[ ]" 1
1198 1 12 PRO HG2 2 115 TRP HE1 3.700 . 5.400 4.468 4.468 4.468 . 0 0 "[ ]" 1
1199 2 46 TRP H 2 59 ALA H 3.900 . 5.800 3.823 3.823 3.823 . 0 0 "[ ]" 1
1200 2 59 ALA H 2 60 SER H 3.300 . 4.600 2.742 2.742 2.742 . 0 0 "[ ]" 1
1201 2 45 TRP HA 2 59 ALA H 3.700 . 5.400 3.754 3.754 3.754 . 0 0 "[ ]" 1
1202 2 44 GLY HA2 2 59 ALA H 4.000 . 6.000 4.102 4.102 4.102 . 0 0 "[ ]" 1
1203 2 59 ALA H 2 60 SER HA 3.100 . 6.000 5.320 5.320 5.320 . 0 0 "[ ]" 1
1204 2 59 ALA H 2 59 ALA HA 2.900 . 3.900 2.787 2.787 2.787 . 0 0 "[ ]" 1
1205 2 59 ALA H 2 62 LEU HB2 3.900 . 5.800 4.528 4.528 4.528 . 0 0 "[ ]" 1
1206 2 58 PRO HG2 2 59 ALA H 4.600 . 6.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
1207 2 59 ALA H 2 59 ALA MB 2.500 . 3.300 2.194 2.194 2.194 . 0 0 "[ ]" 1
1208 2 45 TRP HE3 2 59 ALA H 4.700 . 6.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
1209 2 46 TRP QB 2 59 ALA H 4.100 . 6.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
1210 2 59 ALA H 2 62 LEU HB3 4.600 . 6.000 6.052 6.052 6.052 0.052 1 0 "[ ]" 1
1211 2 46 TRP HE1 2 112 LEU HB2 4.600 . 6.000 5.026 5.026 5.026 . 0 0 "[ ]" 1
1212 2 46 TRP HE1 2 112 LEU MD2 3.200 . 4.400 3.391 3.391 3.391 . 0 0 "[ ]" 1
1213 2 84 VAL H 2 134 LYS H 4.200 . 6.000 5.074 5.074 5.074 . 0 0 "[ ]" 1
1214 2 133 GLN H 2 134 LYS H 4.200 . 6.000 4.480 4.480 4.480 . 0 0 "[ ]" 1
1215 2 83 TYR QE 2 134 LYS H 2.900 . 4.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
1216 2 83 TYR HA 2 134 LYS H 3.900 . 5.800 5.126 5.126 5.126 . 0 0 "[ ]" 1
1217 2 133 GLN HA 2 134 LYS H 2.100 . 2.600 2.441 2.441 2.441 . 0 0 "[ ]" 1
1218 2 134 LYS H 2 134 LYS HA 2.600 . 3.400 2.882 2.882 2.882 . 0 0 "[ ]" 1
1219 2 133 GLN HB3 2 134 LYS H 2.800 . 3.800 2.010 2.010 2.010 . 0 0 "[ ]" 1
1220 2 133 GLN HB2 2 134 LYS H 3.700 . 5.400 3.890 3.890 3.890 . 0 0 "[ ]" 1
1221 2 134 LYS H 2 134 LYS HB2 2.900 . 4.000 2.954 2.954 2.954 . 0 0 "[ ]" 1
1222 2 134 LYS H 2 135 SER H 4.300 . 6.000 4.591 4.591 4.591 . 0 0 "[ ]" 1
1223 2 134 LYS H 2 134 LYS HB3 2.300 . 3.000 2.228 2.228 2.228 . 0 0 "[ ]" 1
1224 2 134 LYS H 2 134 LYS QG 3.100 . 4.300 3.818 3.818 3.818 . 0 0 "[ ]" 1
1225 2 84 VAL MG2 2 134 LYS H 4.000 . 6.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
1226 2 46 TRP HA 2 46 TRP HE1 4.300 . 6.000 4.517 4.517 4.517 . 0 0 "[ ]" 1
1227 2 40 LYS HB2 2 46 TRP HE1 3.300 . 4.600 3.490 3.490 3.490 . 0 0 "[ ]" 1
1228 2 37 VAL MG2 2 46 TRP HE1 3.500 . 5.000 4.145 4.145 4.145 . 0 0 "[ ]" 1
1229 2 40 LYS HG3 2 46 TRP HE1 4.900 . 6.000 5.764 5.764 5.764 . 0 0 "[ ]" 1
1230 2 46 TRP HE1 2 59 ALA MB 3.000 . 4.100 3.815 3.815 3.815 . 0 0 "[ ]" 1
1231 2 40 LYS HG2 2 46 TRP HE1 4.000 . 6.000 5.503 5.503 5.503 . 0 0 "[ ]" 1
1232 2 114 GLY HA2 2 116 TRP HE1 4.800 . 6.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
1233 2 110 LYS HG2 2 116 TRP HE1 4.600 . 6.000 5.763 5.763 5.763 . 0 0 "[ ]" 1
1234 2 114 GLY H 2 116 TRP HE1 3.500 . 5.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
1235 2 111 LEU H 2 116 TRP HE1 3.100 . 4.300 2.883 2.883 2.883 . 0 0 "[ ]" 1
1236 2 116 TRP HA 2 116 TRP HE1 4.500 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
1237 2 112 LEU HA 2 116 TRP HE1 3.500 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
1238 2 42 GLU HG2 2 116 TRP HE1 4.800 . 6.000 4.065 4.065 4.065 . 0 0 "[ ]" 1
1239 2 110 LYS HA 2 116 TRP HE1 3.600 . 5.200 3.729 3.729 3.729 . 0 0 "[ ]" 1
1240 2 116 TRP HE1 2 129 SER HB3 3.700 . 5.400 3.146 3.146 3.146 . 0 0 "[ ]" 1
1241 2 110 LYS HB3 2 116 TRP HE1 3.000 . 4.100 3.286 3.286 3.286 . 0 0 "[ ]" 1
1242 2 110 LYS HB2 2 116 TRP HE1 3.900 . 5.800 4.402 4.402 4.402 . 0 0 "[ ]" 1
1243 2 111 LEU MD2 2 116 TRP HE1 3.700 . 5.400 5.427 5.427 5.427 0.027 1 0 "[ ]" 1
1244 2 110 LYS HG3 2 116 TRP HE1 4.700 . 6.000 5.875 5.875 5.875 . 0 0 "[ ]" 1
1245 2 37 VAL H 2 38 VAL H 4.600 . 6.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
1246 2 38 VAL H 2 49 GLN H 4.000 . 5.600 3.537 3.537 3.537 . 0 0 "[ ]" 1
1247 2 38 VAL H 2 39 GLU H 2.600 . 3.000 2.075 2.075 2.075 . 0 0 "[ ]" 1
1248 2 37 VAL HA 2 38 VAL H 2.400 . 3.100 2.121 2.121 2.121 . 0 0 "[ ]" 1
1249 2 38 VAL H 2 38 VAL HA 2.900 . 4.000 2.936 2.936 2.936 . 0 0 "[ ]" 1
1250 2 37 VAL HB 2 38 VAL H 3.000 . 4.200 3.289 3.289 3.289 . 0 0 "[ ]" 1
1251 2 10 LEU MD1 2 38 VAL H 3.500 . 5.100 3.880 3.880 3.880 . 0 0 "[ ]" 1
1252 2 38 VAL H 2 38 VAL MG1 2.700 . 3.600 1.860 1.860 1.860 . 0 0 "[ ]" 1
1253 2 37 VAL MG1 2 38 VAL H 3.600 . 5.200 2.451 2.451 2.451 . 0 0 "[ ]" 1
1254 2 20 GLU H 2 20 GLU HA 2.600 . 3.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
1255 2 19 TYR HB3 2 20 GLU H 4.000 . 6.000 4.507 4.507 4.507 . 0 0 "[ ]" 1
1256 2 20 GLU H 2 20 GLU HG2 3.200 . 4.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
1257 2 20 GLU H 2 20 GLU HB2 3.000 . 4.100 2.379 2.379 2.379 . 0 0 "[ ]" 1
1258 2 20 GLU H 2 28 ALA MB 4.800 . 6.000 5.558 5.558 5.558 . 0 0 "[ ]" 1
1259 2 19 TYR H 2 20 GLU H 4.000 . 6.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
1260 2 19 TYR QD 2 20 GLU H 3.100 . 6.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
1261 2 19 TYR HA 2 20 GLU H 2.200 . 2.800 2.161 2.161 2.161 . 0 0 "[ ]" 1
1262 2 114 GLY HA3 2 116 TRP HE1 3.600 . 6.000 6.070 6.070 6.070 0.070 1 0 "[ ]" 1
1263 2 111 LEU HB2 2 116 TRP HE1 4.100 . 6.000 4.718 4.718 4.718 . 0 0 "[ ]" 1
1264 2 120 LYS H 2 121 ASP QB 4.500 . 6.000 5.020 5.020 5.020 . 0 0 "[ ]" 1
1265 2 119 ARG H 2 120 LYS H 4.100 . 6.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
1266 2 120 LYS H 2 122 ASP H 4.400 . 6.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
1267 2 120 LYS H 2 124 THR HA 3.600 . 5.200 3.800 3.800 3.800 . 0 0 "[ ]" 1
1268 2 120 LYS H 2 120 LYS HA 2.900 . 4.000 2.936 2.936 2.936 . 0 0 "[ ]" 1
1269 2 120 LYS H 2 124 THR HB 5.700 . 6.000 6.035 6.035 6.035 0.035 1 0 "[ ]" 1
1270 2 119 ARG HD3 2 120 LYS H 5.400 . 6.000 5.489 5.489 5.489 . 0 0 "[ ]" 1
1271 2 120 LYS H 2 123 VAL HB 3.200 . 4.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
1272 2 120 LYS H 2 120 LYS HB3 2.600 . 3.400 2.900 2.900 2.900 . 0 0 "[ ]" 1
1273 2 119 ARG QG 2 120 LYS H 2.700 . 3.600 2.426 2.426 2.426 . 0 0 "[ ]" 1
1274 2 120 LYS H 2 120 LYS HG2 4.600 . 6.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
1275 2 120 LYS H 2 123 VAL MG2 3.900 . 5.800 4.201 4.201 4.201 . 0 0 "[ ]" 1
1276 2 120 LYS H 2 121 ASP H 4.100 . 6.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
1277 2 119 ARG HA 2 120 LYS H 2.100 . 2.600 2.186 2.186 2.186 . 0 0 "[ ]" 1
1278 2 105 VAL HA 2 120 LYS H 5.100 . 6.000 5.295 5.295 5.295 . 0 0 "[ ]" 1
1279 2 120 LYS H 2 123 VAL HA 4.500 . 6.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
1280 2 120 LYS H 2 120 LYS HD2 4.900 . 6.000 5.930 5.930 5.930 . 0 0 "[ ]" 1
1281 2 118 ILE MG 2 120 LYS H 3.800 . 5.600 5.629 5.629 5.629 0.029 1 0 "[ ]" 1
1282 2 90 THR HA 2 91 ALA H 2.300 . 2.900 2.168 2.168 2.168 . 0 0 "[ ]" 1
1283 2 91 ALA H 2 91 ALA HA 3.000 . 4.200 2.730 2.730 2.730 . 0 0 "[ ]" 1
1284 2 91 ALA H 2 98 SER HB3 4.400 . 6.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
1285 2 90 THR HB 2 91 ALA H 3.700 . 5.400 3.553 3.553 3.553 . 0 0 "[ ]" 1
1286 2 91 ALA H 2 91 ALA MB 2.500 . 3.300 2.070 2.070 2.070 . 0 0 "[ ]" 1
1287 2 90 THR MG 2 91 ALA H 3.400 . 4.800 2.853 2.853 2.853 . 0 0 "[ ]" 1
1288 2 91 ALA H 2 98 SER H 4.200 . 6.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
1289 2 90 THR H 2 91 ALA H 4.300 . 6.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
1290 2 91 ALA H 2 98 SER HA 3.100 . 4.300 2.504 2.504 2.504 . 0 0 "[ ]" 1
1291 2 91 ALA H 2 96 GLU HB3 4.600 . 6.000 5.955 5.955 5.955 . 0 0 "[ ]" 1
1292 2 10 LEU H 2 11 GLN H 3.600 . 5.300 4.505 4.505 4.505 . 0 0 "[ ]" 1
1293 2 10 LEU H 2 10 LEU HA 2.500 . 3.300 2.940 2.940 2.940 . 0 0 "[ ]" 1
1294 2 9 ILE HA 2 10 LEU H 2.000 . 2.500 2.526 2.526 2.526 0.026 1 0 "[ ]" 1
1295 2 10 LEU H 2 36 GLU HG3 5.000 . 6.000 5.845 5.845 5.845 . 0 0 "[ ]" 1
1296 2 10 LEU H 2 36 GLU HG2 4.900 . 6.000 5.718 5.718 5.718 . 0 0 "[ ]" 1
1297 2 9 ILE HB 2 10 LEU H 3.400 . 4.900 4.350 4.350 4.350 . 0 0 "[ ]" 1
1298 2 10 LEU H 2 10 LEU HB3 2.400 . 3.100 3.192 3.192 3.192 0.092 1 0 "[ ]" 1
1299 2 9 ILE HG13 2 10 LEU H 2.100 . 6.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
1300 2 8 ILE HG12 2 10 LEU H 3.400 . 6.000 5.196 5.196 5.196 . 0 0 "[ ]" 1
1301 2 8 ILE MG 2 10 LEU H 2.400 . 6.000 2.858 2.858 2.858 . 0 0 "[ ]" 1
1302 2 137 GLN HA 2 138 ASP H 2.500 . 3.300 2.915 2.915 2.915 . 0 0 "[ ]" 1
1303 2 120 LYS HG2 2 121 ASP H 4.200 . 6.000 2.970 2.970 2.970 . 0 0 "[ ]" 1
1304 2 15 ALA H 2 16 ILE H 3.300 . 4.700 3.376 3.376 3.376 . 0 0 "[ ]" 1
1305 2 121 ASP H 2 122 ASP H 3.200 . 4.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
1306 2 121 ASP H 2 123 VAL H 4.100 . 6.000 4.273 4.273 4.273 . 0 0 "[ ]" 1
1307 2 120 LYS HA 2 121 ASP H 2.100 . 2.600 2.152 2.152 2.152 . 0 0 "[ ]" 1
1308 2 121 ASP H 2 121 ASP HA 2.100 . 2.700 2.273 2.273 2.273 . 0 0 "[ ]" 1
1309 2 121 ASP H 2 121 ASP HB3 2.800 . 3.800 3.877 3.877 3.877 0.077 1 0 "[ ]" 1
1310 2 14 ARG HG2 2 15 ALA H 2.900 . 4.000 3.106 3.106 3.106 . 0 0 "[ ]" 1
1311 2 119 ARG HA 2 121 ASP H 4.300 . 6.000 5.690 5.690 5.690 . 0 0 "[ ]" 1
1312 2 15 ALA H 2 15 ALA HA 3.000 . 4.100 2.898 2.898 2.898 . 0 0 "[ ]" 1
1313 2 15 ALA H 2 34 VAL HA 3.400 . 4.800 3.295 3.295 3.295 . 0 0 "[ ]" 1
1314 2 15 ALA H 2 29 LEU HB3 2.700 . 6.000 6.088 6.088 6.088 0.088 1 0 "[ ]" 1
1315 2 15 ALA H 2 29 LEU MD1 3.800 . 5.600 4.048 4.048 4.048 . 0 0 "[ ]" 1
1316 2 15 ALA H 2 16 ILE MG 3.600 . 5.200 3.926 3.926 3.926 . 0 0 "[ ]" 1
1317 2 15 ALA H 2 62 LEU QD 3.400 . 4.800 3.200 3.200 3.200 . 0 0 "[ ]" 1
1318 2 83 TYR H 2 84 VAL H 4.000 . 6.000 4.373 4.373 4.373 . 0 0 "[ ]" 1
1319 2 83 TYR H 2 83 TYR QD 3.300 . 6.000 3.097 3.097 3.097 . 0 0 "[ ]" 1
1320 2 82 PRO HA 2 83 TYR H 2.100 . 2.700 2.115 2.115 2.115 . 0 0 "[ ]" 1
1321 2 83 TYR H 2 83 TYR QB 2.600 . 3.400 2.576 2.576 2.576 . 0 0 "[ ]" 1
1322 2 82 PRO HB2 2 83 TYR H 3.300 . 4.700 3.572 3.572 3.572 . 0 0 "[ ]" 1
1323 2 83 TYR H 2 104 ALA MB 4.400 . 6.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
1324 2 83 TYR H 2 105 VAL MG2 4.700 . 6.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
1325 2 83 TYR H 2 105 VAL MG1 3.100 . 4.300 3.087 3.087 3.087 . 0 0 "[ ]" 1
1326 2 83 TYR H 2 107 VAL H 4.200 . 5.600 3.482 3.482 3.482 . 0 0 "[ ]" 1
1327 2 83 TYR H 2 135 SER H 4.300 . 5.800 4.975 4.975 4.975 . 0 0 "[ ]" 1
1328 2 82 PRO HB3 2 83 TYR H 3.700 . 5.500 3.458 3.458 3.458 . 0 0 "[ ]" 1
1329 2 8 ILE HA 2 9 ILE H 1.900 . 2.400 2.230 2.230 2.230 . 0 0 "[ ]" 1
1330 2 8 ILE HG12 2 9 ILE H 3.200 . 4.500 3.967 3.967 3.967 . 0 0 "[ ]" 1
1331 2 8 ILE MG 2 9 ILE H 2.500 . 3.300 3.230 3.230 3.230 . 0 0 "[ ]" 1
1332 2 84 VAL H 2 85 ALA H 4.500 . 6.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
1333 2 85 ALA H 2 102 GLY H 3.600 . 5.200 3.842 3.842 3.842 . 0 0 "[ ]" 1
1334 2 85 ALA H 2 103 GLU H 3.800 . 5.000 4.205 4.205 4.205 . 0 0 "[ ]" 1
1335 2 84 VAL HA 2 85 ALA H 2.100 . 2.700 2.073 2.073 2.073 . 0 0 "[ ]" 1
1336 2 85 ALA H 2 86 ILE HB 4.600 . 6.000 6.001 6.001 6.001 0.001 1 0 "[ ]" 1
1337 2 84 VAL HB 2 85 ALA H 3.100 . 4.300 3.300 3.300 3.300 . 0 0 "[ ]" 1
1338 2 85 ALA H 2 85 ALA MB 2.200 . 2.800 2.069 2.069 2.069 . 0 0 "[ ]" 1
1339 2 84 VAL MG1 2 85 ALA H 2.600 . 4.500 3.658 3.658 3.658 . 0 0 "[ ]" 1
1340 2 85 ALA H 2 99 LEU MD2 4.400 . 6.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
1341 2 85 ALA H 2 105 VAL MG1 3.300 . 4.700 2.986 2.986 2.986 . 0 0 "[ ]" 1
1342 2 85 ALA H 2 103 GLU HA 4.300 . 6.000 5.055 5.055 5.055 . 0 0 "[ ]" 1
1343 2 85 ALA H 2 102 GLY HA3 4.000 . 6.000 5.973 5.973 5.973 . 0 0 "[ ]" 1
1344 2 85 ALA H 2 99 LEU MD1 4.300 . 6.000 5.659 5.659 5.659 . 0 0 "[ ]" 1
1345 2 104 ALA H 2 105 VAL H 4.200 . 6.000 4.638 4.638 4.638 . 0 0 "[ ]" 1
1346 2 103 GLU H 2 104 ALA H 3.900 . 5.800 4.177 4.177 4.177 . 0 0 "[ ]" 1
1347 2 84 VAL HA 2 104 ALA H 3.900 . 5.800 4.359 4.359 4.359 . 0 0 "[ ]" 1
1348 2 104 ALA H 2 104 ALA HA 2.800 . 3.800 2.756 2.756 2.756 . 0 0 "[ ]" 1
1349 2 103 GLU HA 2 104 ALA H 2.100 . 2.600 2.241 2.241 2.241 . 0 0 "[ ]" 1
1350 2 104 ALA H 2 120 LYS QE 4.600 . 6.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
1351 2 103 GLU HG3 2 104 ALA H 4.300 . 6.000 5.804 5.804 5.804 . 0 0 "[ ]" 1
1352 2 103 GLU HG2 2 104 ALA H 3.500 . 5.100 5.048 5.048 5.048 . 0 0 "[ ]" 1
1353 2 103 GLU HB2 2 104 ALA H 3.400 . 4.800 4.528 4.528 4.528 . 0 0 "[ ]" 1
1354 2 104 ALA H 2 104 ALA MB 2.300 . 2.900 2.067 2.067 2.067 . 0 0 "[ ]" 1
1355 2 84 VAL QG 2 104 ALA H 3.500 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
1356 2 104 ALA H 2 105 VAL MG1 4.400 . 6.000 4.946 4.946 4.946 . 0 0 "[ ]" 1
1357 2 108 ILE H 2 109 HIS H 2.700 . 3.400 1.879 1.879 1.879 . 0 0 "[ ]" 1
1358 2 108 ILE H 2 118 ILE HA 2.800 . 5.800 3.191 3.191 3.191 . 0 0 "[ ]" 1
1359 2 107 VAL HA 2 108 ILE H 2.500 . 4.300 2.244 2.244 2.244 . 0 0 "[ ]" 1
1360 2 107 VAL HB 2 108 ILE H 3.900 . 5.800 3.779 3.779 3.779 . 0 0 "[ ]" 1
1361 2 106 GLU HB3 2 108 ILE H 4.800 . 6.000 4.819 4.819 4.819 . 0 0 "[ ]" 1
1362 2 108 ILE H 2 108 ILE HG12 2.700 . 3.600 2.476 2.476 2.476 . 0 0 "[ ]" 1
1363 2 107 VAL MG2 2 108 ILE H 3.900 . 5.800 3.688 3.688 3.688 . 0 0 "[ ]" 1
1364 2 108 ILE H 2 110 LYS HG3 3.500 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
1365 2 106 GLU HA 2 108 ILE H 4.100 . 6.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
1366 2 108 ILE H 2 108 ILE HB 2.900 . 3.900 2.768 2.768 2.768 . 0 0 "[ ]" 1
1367 2 113 ASP H 2 115 TRP H 4.000 . 6.000 5.713 5.713 5.713 . 0 0 "[ ]" 1
1368 2 111 LEU MD1 2 115 TRP H 4.200 . 6.000 5.097 5.097 5.097 . 0 0 "[ ]" 1
1369 2 44 GLY HA2 2 115 TRP H 4.400 . 6.000 5.809 5.809 5.809 . 0 0 "[ ]" 1
1370 2 114 GLY H 2 115 TRP H 3.100 . 4.100 4.086 4.086 4.086 . 0 0 "[ ]" 1
1371 2 45 TRP HZ2 2 115 TRP H 3.700 . 5.400 5.064 5.064 5.064 . 0 0 "[ ]" 1
1372 2 115 TRP H 2 115 TRP HD1 3.300 . 4.600 1.954 1.954 1.954 0.046 1 0 "[ ]" 1
1373 2 114 GLY HA2 2 115 TRP H 3.500 . 5.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
1374 2 114 GLY HA3 2 115 TRP H 4.100 . 6.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
1375 2 115 TRP H 2 115 TRP HB3 3.700 . 5.400 3.600 3.600 3.600 . 0 0 "[ ]" 1
1376 2 115 TRP H 2 115 TRP HB2 2.900 . 4.000 2.541 2.541 2.541 . 0 0 "[ ]" 1
1377 2 89 TYR QD 2 90 THR H 3.000 . 4.100 3.336 3.336 3.336 . 0 0 "[ ]" 1
1378 2 89 TYR QE 2 90 THR H 3.900 . 5.800 4.215 4.215 4.215 . 0 0 "[ ]" 1
1379 2 89 TYR HA 2 90 THR H 2.200 . 2.800 2.216 2.216 2.216 . 0 0 "[ ]" 1
1380 2 90 THR H 2 90 THR HB 2.600 . 6.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
1381 2 89 TYR HB3 2 90 THR H 3.900 . 5.800 4.078 4.078 4.078 . 0 0 "[ ]" 1
1382 2 88 ALA MB 2 90 THR H 4.300 . 6.000 5.445 5.445 5.445 . 0 0 "[ ]" 1
1383 2 48 CYS H 2 49 GLN H 4.400 . 6.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
1384 2 47 PHE HB3 2 48 CYS H 3.900 . 5.800 4.107 4.107 4.107 . 0 0 "[ ]" 1
1385 2 27 MET ME 2 48 CYS H 3.400 . 4.800 3.881 3.881 3.881 . 0 0 "[ ]" 1
1386 2 48 CYS H 2 57 ILE H 4.700 . 6.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
1387 2 48 CYS H 2 50 MET H 4.600 . 6.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
1388 2 47 PHE HZ 2 48 CYS H 3.900 . 6.000 6.029 6.029 6.029 0.029 1 0 "[ ]" 1
1389 2 48 CYS H 2 48 CYS HA 2.800 . 3.800 2.831 2.831 2.831 . 0 0 "[ ]" 1
1390 2 48 CYS H 2 49 GLN HA 3.900 . 5.800 4.237 4.237 4.237 . 0 0 "[ ]" 1
1391 2 47 PHE HA 2 48 CYS H 2.200 . 2.800 2.168 2.168 2.168 . 0 0 "[ ]" 1
1392 2 48 CYS H 2 48 CYS HB3 3.500 . 5.100 3.880 3.880 3.880 . 0 0 "[ ]" 1
1393 2 48 CYS H 2 50 MET ME 4.000 . 6.000 6.062 6.062 6.062 0.062 1 0 "[ ]" 1
1394 2 37 VAL HB 2 48 CYS H 4.100 . 6.000 6.054 6.054 6.054 0.054 1 0 "[ ]" 1
1395 2 29 LEU MD2 2 48 CYS H 4.200 . 6.000 5.377 5.377 5.377 . 0 0 "[ ]" 1
1396 2 38 VAL MG1 2 48 CYS H 4.000 . 6.000 3.411 3.411 3.411 . 0 0 "[ ]" 1
1397 2 47 PHE HB2 2 48 CYS H 4.400 . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 1
1398 2 90 THR H 2 90 THR HA 2.800 . 3.800 2.949 2.949 2.949 . 0 0 "[ ]" 1
1399 2 89 TYR HB2 2 90 THR H 4.000 . 6.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
1400 2 90 THR H 2 90 THR MG 3.200 . 4.500 3.714 3.714 3.714 . 0 0 "[ ]" 1
1401 2 89 TYR H 2 90 THR H 4.100 . 5.400 4.287 4.287 4.287 . 0 0 "[ ]" 1
1402 2 39 GLU HA 2 40 LYS H 2.200 . 2.800 2.303 2.303 2.303 . 0 0 "[ ]" 1
1403 2 40 LYS H 2 40 LYS HA 3.000 . 4.100 2.929 2.929 2.929 . 0 0 "[ ]" 1
1404 2 40 LYS H 2 40 LYS HE3 3.100 . 4.300 4.246 4.246 4.246 . 0 0 "[ ]" 1
1405 2 37 VAL HB 2 40 LYS H 3.900 . 5.800 2.989 2.989 2.989 . 0 0 "[ ]" 1
1406 2 40 LYS H 2 40 LYS HB2 3.500 . 5.000 3.378 3.378 3.378 . 0 0 "[ ]" 1
1407 2 40 LYS H 2 40 LYS HD3 3.500 . 5.000 4.804 4.804 4.804 . 0 0 "[ ]" 1
1408 2 37 VAL MG2 2 40 LYS H 4.200 . 6.000 4.818 4.818 4.818 . 0 0 "[ ]" 1
1409 2 40 LYS H 2 40 LYS HG2 4.300 . 6.000 3.035 3.035 3.035 . 0 0 "[ ]" 1
1410 1 18 ALA H 1 19 GLU H 3.000 . 4.100 2.827 2.827 2.827 . 0 0 "[ ]" 1
1411 1 18 ALA H 1 20 ALA H 4.300 . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
1412 1 17 PRO HA 1 18 ALA H 2.100 . 2.700 2.201 2.201 2.201 . 0 0 "[ ]" 1
1413 1 18 ALA H 1 18 ALA HA 2.600 . 3.400 2.762 2.762 2.762 . 0 0 "[ ]" 1
1414 1 18 ALA H 1 21 ARG HD3 4.500 . 6.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
1415 1 18 ALA H 1 19 GLU HB3 3.300 . 6.000 5.750 5.750 5.750 . 0 0 "[ ]" 1
1416 1 17 PRO HB2 1 18 ALA H 2.800 . 3.800 3.192 3.192 3.192 . 0 0 "[ ]" 1
1417 1 18 ALA H 1 18 ALA MB 2.200 . 2.800 2.022 2.022 2.022 . 0 0 "[ ]" 1
1418 1 23 LYS H 1 23 LYS HA 2.600 . 3.400 2.933 2.933 2.933 . 0 0 "[ ]" 1
1419 1 22 LYS HA 1 23 LYS H 2.200 . 6.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
1420 1 22 LYS HB2 1 23 LYS H 2.300 . 2.900 2.478 2.478 2.478 . 0 0 "[ ]" 1
1421 1 22 LYS QG 1 23 LYS H 3.000 . 4.100 3.991 3.991 3.991 . 0 0 "[ ]" 1
1422 1 22 LYS H 1 23 LYS H 3.400 . 4.900 2.747 2.747 2.747 . 0 0 "[ ]" 1
1423 1 23 LYS H 1 25 SER QB 4.200 . 6.000 6.025 6.025 6.025 0.025 1 0 "[ ]" 1
1424 2 106 GLU H 2 107 VAL H 4.200 . 6.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
1425 2 81 GLU HB3 2 107 VAL H 3.400 . 4.800 3.215 3.215 3.215 . 0 0 "[ ]" 1
1426 2 105 VAL HB 2 107 VAL H 3.600 . 5.200 4.001 4.001 4.001 . 0 0 "[ ]" 1
1427 2 107 VAL H 2 107 VAL MG1 2.900 . 4.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
1428 2 82 PRO HA 2 107 VAL H 2.200 . 2.800 2.106 2.106 2.106 . 0 0 "[ ]" 1
1429 2 80 GLY QA 2 107 VAL H 4.200 . 6.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
1430 2 107 VAL H 2 107 VAL HB 2.900 . 4.000 2.483 2.483 2.483 . 0 0 "[ ]" 1
1431 2 106 GLU HB3 2 107 VAL H 4.200 . 6.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
1432 2 107 VAL H 2 110 LYS HB2 4.900 . 6.000 6.044 6.044 6.044 0.044 1 0 "[ ]" 1
1433 2 107 VAL H 2 107 VAL MG2 3.200 . 4.500 2.201 2.201 2.201 . 0 0 "[ ]" 1
1434 2 116 TRP H 2 129 SER H 3.900 . 5.800 3.172 3.172 3.172 . 0 0 "[ ]" 1
1435 2 129 SER H 2 130 MET H 3.400 . 4.600 2.801 2.801 2.801 . 0 0 "[ ]" 1
1436 2 129 SER H 2 131 TYR H 4.100 . 6.000 4.176 4.176 4.176 . 0 0 "[ ]" 1
1437 2 115 TRP HA 2 129 SER H 3.700 . 5.400 3.112 3.112 3.112 . 0 0 "[ ]" 1
1438 2 43 SER QB 2 129 SER H 4.500 . 6.000 4.883 4.883 4.883 . 0 0 "[ ]" 1
1439 2 128 PRO HA 2 129 SER H 2.500 . 3.300 2.152 2.152 2.152 . 0 0 "[ ]" 1
1440 2 129 SER H 2 129 SER HA 3.000 . 4.100 2.788 2.788 2.788 . 0 0 "[ ]" 1
1441 2 129 SER H 2 129 SER HB3 3.100 . 4.300 2.661 2.661 2.661 . 0 0 "[ ]" 1
1442 2 129 SER H 2 129 SER HB2 3.200 . 4.500 3.568 3.568 3.568 . 0 0 "[ ]" 1
1443 2 107 VAL MG2 2 129 SER H 4.800 . 6.000 5.143 5.143 5.143 . 0 0 "[ ]" 1
1444 2 128 PRO HB2 2 129 SER H 3.900 . 5.800 3.819 3.819 3.819 . 0 0 "[ ]" 1
1445 2 128 PRO HB3 2 129 SER H 4.000 . 6.000 3.260 3.260 3.260 . 0 0 "[ ]" 1
1446 2 46 TRP H 2 56 TRP HA 4.300 . 6.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
1447 2 46 TRP H 2 59 ALA HA 4.500 . 6.000 5.241 5.241 5.241 . 0 0 "[ ]" 1
1448 2 46 TRP H 2 57 ILE H 2.900 . 4.000 2.983 2.983 2.983 . 0 0 "[ ]" 1
1449 2 41 SER H 2 46 TRP H 4.000 . 6.000 5.646 5.646 5.646 . 0 0 "[ ]" 1
1450 2 46 TRP H 2 46 TRP HD1 4.000 . 6.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
1451 2 46 TRP H 2 56 TRP HE3 3.800 . 5.600 2.943 2.943 2.943 . 0 0 "[ ]" 1
1452 2 45 TRP HA 2 46 TRP H 2.300 . 2.900 2.170 2.170 2.170 . 0 0 "[ ]" 1
1453 2 45 TRP HB3 2 46 TRP H 3.700 . 5.400 3.337 3.337 3.337 . 0 0 "[ ]" 1
1454 2 46 TRP H 2 46 TRP QB 2.700 . 3.600 2.338 2.338 2.338 . 0 0 "[ ]" 1
1455 2 29 LEU MD2 2 46 TRP H 5.000 . 6.000 5.154 5.154 5.154 . 0 0 "[ ]" 1
1456 2 46 TRP H 2 59 ALA MB 4.500 . 6.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
1457 2 40 LYS HA 2 46 TRP H 4.800 . 6.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
1458 2 50 MET H 2 51 LYS H 4.300 . 6.000 4.533 4.533 4.533 . 0 0 "[ ]" 1
1459 2 50 MET HA 2 51 LYS H 2.300 . 2.900 2.417 2.417 2.417 . 0 0 "[ ]" 1
1460 2 51 LYS H 2 51 LYS HA 2.300 . 3.000 2.719 2.719 2.719 . 0 0 "[ ]" 1
1461 2 50 MET HG2 2 51 LYS H 3.600 . 5.200 3.567 3.567 3.567 . 0 0 "[ ]" 1
1462 2 51 LYS H 2 51 LYS HB3 3.200 . 4.500 2.881 2.881 2.881 . 0 0 "[ ]" 1
1463 2 50 MET HB2 2 51 LYS H 2.900 . 3.900 3.262 3.262 3.262 . 0 0 "[ ]" 1
1464 2 51 LYS H 2 51 LYS QD 3.900 . 5.800 3.379 3.379 3.379 . 0 0 "[ ]" 1
1465 2 51 LYS H 2 51 LYS HG2 3.500 . 5.000 3.176 3.176 3.176 . 0 0 "[ ]" 1
1466 2 51 LYS H 2 52 ALA H 3.400 . 4.800 2.854 2.854 2.854 . 0 0 "[ ]" 1
1467 2 50 MET HB3 2 51 LYS H 2.700 . 3.600 2.423 2.423 2.423 . 0 0 "[ ]" 1
1468 2 13 TYR H 2 14 ARG HB3 4.700 . 6.000 5.573 5.573 5.573 . 0 0 "[ ]" 1
1469 2 13 TYR H 2 36 GLU H 4.300 . 6.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
1470 2 13 TYR H 2 13 TYR QD 3.000 . 6.000 3.192 3.192 3.192 . 0 0 "[ ]" 1
1471 2 12 THR HA 2 13 TYR H 2.100 . 2.700 2.153 2.153 2.153 . 0 0 "[ ]" 1
1472 2 13 TYR H 2 13 TYR HA 2.900 . 3.900 2.926 2.926 2.926 . 0 0 "[ ]" 1
1473 2 12 THR HB 2 13 TYR H 3.000 . 4.100 3.092 3.092 3.092 . 0 0 "[ ]" 1
1474 2 13 TYR H 2 13 TYR HB3 3.800 . 5.600 3.756 3.756 3.756 . 0 0 "[ ]" 1
1475 2 13 TYR H 2 13 TYR HB2 2.700 . 6.000 2.682 2.682 2.682 . 0 0 "[ ]" 1
1476 2 13 TYR H 2 34 VAL HB 4.000 . 6.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
1477 2 13 TYR H 2 65 LEU HB3 4.500 . 6.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
1478 2 13 TYR H 2 65 LEU HB2 3.800 . 5.600 4.050 4.050 4.050 . 0 0 "[ ]" 1
1479 2 12 THR MG 2 13 TYR H 3.500 . 5.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
1480 2 13 TYR H 2 35 VAL QG 2.900 . 4.000 2.869 2.869 2.869 . 0 0 "[ ]" 1
1481 2 13 TYR H 2 62 LEU MD1 4.600 . 6.000 4.726 4.726 4.726 . 0 0 "[ ]" 1
1482 2 13 TYR H 2 14 ARG H 4.500 . 6.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
1483 2 12 THR H 2 13 TYR H 4.500 . 6.000 4.544 4.544 4.544 . 0 0 "[ ]" 1
1484 2 13 TYR H 2 37 VAL H 4.000 . 6.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
1485 2 36 GLU HA 2 37 VAL H 2.100 . 2.600 2.308 2.308 2.308 . 0 0 "[ ]" 1
1486 2 37 VAL H 2 37 VAL HA 2.700 . 3.600 2.657 2.657 2.657 . 0 0 "[ ]" 1
1487 2 36 GLU HG3 2 37 VAL H 3.800 . 5.600 4.333 4.333 4.333 . 0 0 "[ ]" 1
1488 2 36 GLU HB2 2 37 VAL H 3.300 . 4.700 4.609 4.609 4.609 . 0 0 "[ ]" 1
1489 2 10 LEU HB3 2 37 VAL H 3.600 . 5.200 4.982 4.982 4.982 . 0 0 "[ ]" 1
1490 2 37 VAL H 2 37 VAL MG2 2.400 . 3.100 1.783 1.783 1.783 . 0 0 "[ ]" 1
1491 2 37 VAL H 2 37 VAL MG1 3.100 . 4.300 3.674 3.674 3.674 . 0 0 "[ ]" 1
1492 2 12 THR HA 2 37 VAL H 3.400 . 4.900 3.821 3.821 3.821 . 0 0 "[ ]" 1
1493 2 11 GLN QG 2 37 VAL H 4.100 . 6.000 5.244 5.244 5.244 . 0 0 "[ ]" 1
1494 2 36 GLU HB3 2 37 VAL H 3.200 . 4.400 4.153 4.153 4.153 . 0 0 "[ ]" 1
1495 2 12 THR MG 2 37 VAL H 4.800 . 6.000 4.899 4.899 4.899 . 0 0 "[ ]" 1
1496 2 111 LEU H 2 116 TRP HB3 4.500 . 6.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
1497 2 111 LEU H 2 111 LEU HB2 3.000 . 4.200 3.138 3.138 3.138 . 0 0 "[ ]" 1
1498 2 111 LEU H 2 112 LEU H 4.100 . 6.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
1499 2 111 LEU H 2 117 VAL H 4.300 . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
1500 2 111 LEU H 2 116 TRP HD1 2.400 . 3.100 2.072 2.072 2.072 . 0 0 "[ ]" 1
1501 2 111 LEU H 2 116 TRP HA 3.600 . 5.200 3.146 3.146 3.146 . 0 0 "[ ]" 1
1502 2 111 LEU H 2 111 LEU HA 2.700 . 3.600 2.945 2.945 2.945 . 0 0 "[ ]" 1
1503 2 110 LYS HA 2 111 LEU H 2.300 . 3.000 2.150 2.150 2.150 . 0 0 "[ ]" 1
1504 2 111 LEU H 2 111 LEU HG 2.700 . 3.600 2.616 2.616 2.616 . 0 0 "[ ]" 1
1505 2 111 LEU H 2 111 LEU MD1 2.800 . 3.800 1.863 1.863 1.863 . 0 0 "[ ]" 1
1506 2 110 LYS HB2 2 111 LEU H 4.000 . 6.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
1507 2 111 LEU H 2 111 LEU MD2 3.000 . 4.100 3.945 3.945 3.945 . 0 0 "[ ]" 1
1508 2 110 LYS HG3 2 111 LEU H 4.500 . 6.000 4.930 4.930 4.930 . 0 0 "[ ]" 1
1509 2 110 LYS HG2 2 111 LEU H 4.600 . 6.000 5.643 5.643 5.643 . 0 0 "[ ]" 1
1510 2 110 LYS H 2 111 LEU H 4.200 . 6.000 4.206 4.206 4.206 . 0 0 "[ ]" 1
1511 2 109 HIS HB2 2 111 LEU H 5.100 . 6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1
1512 2 11 GLN HA 2 37 VAL H 3.600 . 5.200 5.219 5.219 5.219 0.019 1 0 "[ ]" 1
1513 2 30 SER HB3 2 33 ASP H 4.000 . 6.000 5.633 5.633 5.633 . 0 0 "[ ]" 1
1514 2 33 ASP H 2 50 MET ME 4.900 . 6.000 5.768 5.768 5.768 . 0 0 "[ ]" 1
1515 2 15 ALA H 2 33 ASP H 3.300 . 4.700 3.981 3.981 3.981 . 0 0 "[ ]" 1
1516 2 32 GLY H 2 33 ASP H 2.500 . 3.300 2.594 2.594 2.594 . 0 0 "[ ]" 1
1517 2 31 THR H 2 33 ASP H 3.900 . 5.800 4.710 4.710 4.710 . 0 0 "[ ]" 1
1518 2 33 ASP H 2 34 VAL H 4.000 . 6.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
1519 2 15 ALA HA 2 33 ASP H 4.700 . 6.000 6.001 6.001 6.001 0.001 1 0 "[ ]" 1
1520 2 29 LEU HA 2 33 ASP H 4.700 . 6.000 5.053 5.053 5.053 . 0 0 "[ ]" 1
1521 2 32 GLY HA2 2 33 ASP H 2.500 . 3.300 2.733 2.733 2.733 . 0 0 "[ ]" 1
1522 2 16 ILE HA 2 33 ASP H 3.200 . 6.000 6.067 6.067 6.067 0.067 1 0 "[ ]" 1
1523 2 30 SER HB2 2 33 ASP H 4.300 . 6.000 5.036 5.036 5.036 . 0 0 "[ ]" 1
1524 2 32 GLY HA3 2 33 ASP H 3.400 . 4.900 3.074 3.074 3.074 . 0 0 "[ ]" 1
1525 2 31 THR HA 2 33 ASP H 3.200 . 4.500 3.523 3.523 3.523 . 0 0 "[ ]" 1
1526 2 33 ASP H 2 33 ASP HB2 2.200 . 6.000 2.138 2.138 2.138 . 0 0 "[ ]" 1
1527 2 29 LEU HG 2 33 ASP H 5.200 . 6.000 5.076 5.076 5.076 . 0 0 "[ ]" 1
1528 2 15 ALA MB 2 33 ASP H 2.500 . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1
1529 2 29 LEU QD 2 33 ASP H 3.300 . 4.700 4.720 4.720 4.720 0.020 1 0 "[ ]" 1
1530 2 28 ALA H 2 29 LEU H 4.800 . 6.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
1531 2 27 MET H 2 28 ALA H 4.400 . 6.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
1532 2 27 MET HA 2 28 ALA H 2.000 . 2.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
1533 2 20 GLU HA 2 28 ALA H 5.100 . 6.000 5.339 5.339 5.339 . 0 0 "[ ]" 1
1534 2 21 LYS HE3 2 28 ALA H 3.800 . 5.600 4.469 4.469 4.469 . 0 0 "[ ]" 1
1535 2 27 MET HG3 2 28 ALA H 3.100 . 4.300 4.200 4.200 4.200 . 0 0 "[ ]" 1
1536 2 28 ALA H 2 50 MET ME 3.500 . 5.000 4.102 4.102 4.102 . 0 0 "[ ]" 1
1537 2 21 LYS HB2 2 28 ALA H 2.800 . 3.800 2.696 2.696 2.696 . 0 0 "[ ]" 1
1538 2 28 ALA H 2 28 ALA MB 2.200 . 2.800 2.086 2.086 2.086 . 0 0 "[ ]" 1
1539 2 28 ALA H 2 29 LEU MD1 4.200 . 6.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
1540 2 21 LYS QG 2 28 ALA H 3.500 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
1541 2 28 ALA H 2 29 LEU MD1 4.300 . 6.000 5.100 5.100 5.100 . 0 0 "[ ]" 1
1542 2 118 ILE H 2 125 GLY QA 4.300 . 6.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
1543 2 118 ILE H 2 124 THR HB 4.800 . 6.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
1544 2 118 ILE H 2 119 ARG H 4.400 . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
1545 2 118 ILE H 2 125 GLY H 2.900 . 3.800 2.409 2.409 2.409 . 0 0 "[ ]" 1
1546 2 117 VAL H 2 118 ILE H 4.400 . 6.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
1547 2 118 ILE H 2 126 TYR HA 3.600 . 5.200 3.460 3.460 3.460 . 0 0 "[ ]" 1
1548 2 118 ILE H 2 124 THR HA 4.500 . 6.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
1549 2 117 VAL HA 2 118 ILE H 2.300 . 2.900 2.163 2.163 2.163 . 0 0 "[ ]" 1
1550 2 118 ILE H 2 119 ARG HB2 4.700 . 6.000 5.515 5.515 5.515 . 0 0 "[ ]" 1
1551 2 118 ILE H 2 118 ILE HG13 2.800 . 3.800 3.881 3.881 3.881 0.081 1 0 "[ ]" 1
1552 2 108 ILE HG12 2 118 ILE H 3.000 . 6.000 5.045 5.045 5.045 . 0 0 "[ ]" 1
1553 2 117 VAL MG1 2 118 ILE H 3.800 . 5.600 4.427 4.427 4.427 . 0 0 "[ ]" 1
1554 2 117 VAL MG2 2 118 ILE H 2.800 . 3.800 3.297 3.297 3.297 . 0 0 "[ ]" 1
1555 2 118 ILE H 2 118 ILE MG 4.100 . 6.000 2.298 2.298 2.298 . 0 0 "[ ]" 1
1556 2 117 VAL HB 2 118 ILE H 4.400 . 6.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
1557 2 118 ILE H 2 118 ILE HB 3.300 . 4.700 3.818 3.818 3.818 . 0 0 "[ ]" 1
1558 2 50 MET H 2 50 MET HG2 4.100 . 6.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
1559 2 49 GLN HB3 2 50 MET H 3.700 . 5.400 3.372 3.372 3.372 . 0 0 "[ ]" 1
1560 2 27 MET ME 2 50 MET H 3.200 . 4.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
1561 2 50 MET H 2 54 ARG QG 3.400 . 4.900 4.926 4.926 4.926 0.026 1 0 "[ ]" 1
1562 2 38 VAL MG1 2 50 MET H 4.800 . 6.000 5.243 5.243 5.243 . 0 0 "[ ]" 1
1563 2 35 VAL HA 2 50 MET H 4.700 . 6.000 5.468 5.468 5.468 . 0 0 "[ ]" 1
1564 2 71 THR H 2 72 GLU H 3.800 . 5.400 4.360 4.360 4.360 . 0 0 "[ ]" 1
1565 2 72 GLU H 2 73 ASP H 2.700 . 4.600 4.608 4.608 4.608 0.008 1 0 "[ ]" 1
1566 2 71 THR HA 2 72 GLU H 2.000 . 2.500 2.333 2.333 2.333 . 0 0 "[ ]" 1
1567 2 71 THR HB 2 72 GLU H 3.300 . 4.600 3.569 3.569 3.569 . 0 0 "[ ]" 1
1568 2 72 GLU H 2 72 GLU HB3 3.100 . 4.300 3.587 3.587 3.587 . 0 0 "[ ]" 1
1569 2 72 GLU H 2 72 GLU HB2 2.700 . 3.600 2.493 2.493 2.493 . 0 0 "[ ]" 1
1570 2 71 THR MG 2 72 GLU H 3.500 . 5.100 1.956 1.956 1.956 . 0 0 "[ ]" 1
1571 2 72 GLU H 2 112 LEU MD1 3.700 . 5.400 5.376 5.376 5.376 . 0 0 "[ ]" 1
1572 2 72 GLU H 2 72 GLU QG 2.800 . 3.800 2.241 2.241 2.241 . 0 0 "[ ]" 1
1573 2 78 TYR H 2 79 ALA H 2.700 . 3.600 2.613 2.613 2.613 . 0 0 "[ ]" 1
1574 2 79 ALA H 2 80 GLY H 2.500 . 3.300 2.700 2.700 2.700 . 0 0 "[ ]" 1
1575 2 78 TYR QD 2 79 ALA H 4.300 . 6.000 4.546 4.546 4.546 . 0 0 "[ ]" 1
1576 2 77 ASN HA 2 79 ALA H 2.900 . 4.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
1577 2 79 ALA H 2 108 ILE HA 4.700 . 6.000 5.367 5.367 5.367 . 0 0 "[ ]" 1
1578 2 79 ALA H 2 79 ALA HA 2.700 . 3.600 2.827 2.827 2.827 . 0 0 "[ ]" 1
1579 2 79 ALA H 2 80 GLY QA 4.400 . 6.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
1580 2 78 TYR HB3 2 79 ALA H 3.400 . 4.900 3.344 3.344 3.344 . 0 0 "[ ]" 1
1581 2 78 TYR HB2 2 79 ALA H 3.500 . 5.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
1582 2 79 ALA H 2 79 ALA MB 2.200 . 2.800 2.084 2.084 2.084 . 0 0 "[ ]" 1
1583 2 79 ALA H 2 108 ILE MG 4.400 . 6.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
1584 2 79 ALA H 2 108 ILE MD 4.800 . 6.000 5.399 5.399 5.399 . 0 0 "[ ]" 1
1585 2 18 ASP H 2 19 TYR H 4.500 . 6.000 4.191 4.191 4.191 . 0 0 "[ ]" 1
1586 2 19 TYR H 2 20 GLU H 4.200 . 6.000 4.153 4.153 4.153 . 0 0 "[ ]" 1
1587 2 19 TYR H 2 28 ALA HA 4.600 . 6.000 5.554 5.554 5.554 . 0 0 "[ ]" 1
1588 2 19 TYR H 2 28 ALA MB 5.000 . 6.000 5.623 5.623 5.623 . 0 0 "[ ]" 1
1589 2 19 TYR H 2 29 LEU H 3.000 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
1590 2 19 TYR H 2 31 THR H 5.000 . 6.000 4.694 4.694 4.694 . 0 0 "[ ]" 1
1591 2 19 TYR H 2 19 TYR QD 4.600 . 6.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
1592 2 19 TYR H 2 30 SER HA 3.900 . 5.800 3.932 3.932 3.932 . 0 0 "[ ]" 1
1593 2 18 ASP HA 2 19 TYR H 2.300 . 3.000 2.188 2.188 2.188 . 0 0 "[ ]" 1
1594 2 19 TYR H 2 19 TYR HB3 3.000 . 4.100 2.380 2.380 2.380 . 0 0 "[ ]" 1
1595 2 19 TYR H 2 29 LEU HG 3.800 . 5.700 4.384 4.384 4.384 . 0 0 "[ ]" 1
1596 2 19 TYR H 2 29 LEU HB3 3.100 . 4.300 2.364 2.364 2.364 . 0 0 "[ ]" 1
1597 2 19 TYR H 2 29 LEU MD2 4.400 . 6.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
1598 2 50 MET H 2 53 LYS H 3.700 . 5.400 3.948 3.948 3.948 . 0 0 "[ ]" 1
1599 2 49 GLN HA 2 50 MET H 2.100 . 2.600 2.004 2.004 2.004 . 0 0 "[ ]" 1
1600 2 50 MET H 2 50 MET HB2 2.200 . 2.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
1601 2 50 MET H 2 50 MET HA 2.800 . 3.800 2.932 2.932 2.932 . 0 0 "[ ]" 1
1602 2 116 TRP H 2 116 TRP HD1 3.600 . 5.200 3.691 3.691 3.691 . 0 0 "[ ]" 1
1603 2 110 LYS HA 2 116 TRP H 5.000 . 6.000 5.987 5.987 5.987 . 0 0 "[ ]" 1
1604 2 116 TRP H 2 127 PHE H 3.100 . 4.300 3.192 3.192 3.192 . 0 0 "[ ]" 1
1605 2 115 TRP HE3 2 116 TRP H 4.500 . 6.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
1606 2 116 TRP H 2 126 TYR HA 4.600 . 6.000 4.823 4.823 4.823 . 0 0 "[ ]" 1
1607 2 115 TRP HA 2 116 TRP H 2.400 . 3.100 2.162 2.162 2.162 . 0 0 "[ ]" 1
1608 2 116 TRP H 2 128 PRO HA 4.000 . 6.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
1609 2 115 TRP HB3 2 116 TRP H 3.800 . 5.600 3.583 3.583 3.583 . 0 0 "[ ]" 1
1610 2 116 TRP H 2 116 TRP HB2 2.500 . 3.300 2.214 2.214 2.214 . 0 0 "[ ]" 1
1611 2 116 TRP H 2 129 SER HA 3.500 . 5.100 3.582 3.582 3.582 . 0 0 "[ ]" 1
1612 2 110 LYS HB3 2 116 TRP H 4.400 . 6.000 5.193 5.193 5.193 . 0 0 "[ ]" 1
1613 2 111 LEU MD1 2 116 TRP H 4.600 . 6.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
1614 2 116 TRP H 2 117 VAL MG1 4.400 . 6.000 5.060 5.060 5.060 . 0 0 "[ ]" 1
1615 2 107 VAL MG2 2 116 TRP H 4.500 . 6.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
1616 1 2 PRO QD 1 3 LEU H 4.100 . 6.000 4.874 4.874 4.874 . 0 0 "[ ]" 1
1617 1 2 PRO HA 1 3 LEU H 2.800 . 3.800 2.157 2.157 2.157 . 0 0 "[ ]" 1
1618 1 3 LEU H 1 4 GLY QA 4.600 . 6.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
1619 1 3 LEU H 1 3 LEU QB 2.800 . 3.800 2.356 2.356 2.356 . 0 0 "[ ]" 1
1620 1 3 LEU H 1 3 LEU MD2 4.800 . 6.000 3.267 3.267 3.267 . 0 0 "[ ]" 1
1621 1 20 ALA H 1 22 LYS H 4.600 . 5.400 4.334 4.334 4.334 . 0 0 "[ ]" 1
1622 1 21 ARG H 1 22 LYS H 3.000 . 4.100 2.593 2.593 2.593 . 0 0 "[ ]" 1
1623 1 22 LYS H 1 22 LYS HA 2.600 . 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
1624 1 21 ARG HA 1 22 LYS H 2.300 . 6.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
1625 1 22 LYS H 1 22 LYS QE 4.000 . 6.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
1626 1 21 ARG HB2 1 22 LYS H 2.300 . 3.000 2.382 2.382 2.382 . 0 0 "[ ]" 1
1627 2 11 GLN H 2 12 THR H 3.900 . 5.800 3.990 3.990 3.990 . 0 0 "[ ]" 1
1628 2 10 LEU HA 2 11 GLN H 1.900 . 3.400 2.473 2.473 2.473 . 0 0 "[ ]" 1
1629 2 11 GLN H 2 11 GLN QG 2.300 . 3.000 2.955 2.955 2.955 . 0 0 "[ ]" 1
1630 2 11 GLN H 2 11 GLN HB3 3.000 . 4.100 3.630 3.630 3.630 . 0 0 "[ ]" 1
1631 2 8 ILE HB 2 11 GLN H 3.500 . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
1632 2 10 LEU HB3 2 11 GLN H 3.300 . 4.600 2.604 2.604 2.604 . 0 0 "[ ]" 1
1633 2 10 LEU HB2 2 11 GLN H 3.300 . 4.600 3.941 3.941 3.941 . 0 0 "[ ]" 1
1634 2 8 ILE HG12 2 11 GLN H 4.800 . 6.000 6.005 6.005 6.005 0.005 1 0 "[ ]" 1
1635 2 8 ILE MG 2 11 GLN H 2.900 . 3.900 3.975 3.975 3.975 0.075 1 0 "[ ]" 1
1636 2 11 GLN H 2 37 VAL MG1 4.600 . 6.000 5.100 5.100 5.100 . 0 0 "[ ]" 1
1637 2 92 VAL H 2 93 GLU HG2 4.700 . 6.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
1638 2 92 VAL H 2 93 GLU H 2.500 . 3.000 1.891 1.891 1.891 . 0 0 "[ ]" 1
1639 2 91 ALA HA 2 92 VAL H 2.300 . 2.900 2.138 2.138 2.138 . 0 0 "[ ]" 1
1640 2 92 VAL H 2 92 VAL HA 3.000 . 4.100 2.949 2.949 2.949 . 0 0 "[ ]" 1
1641 2 92 VAL H 2 96 GLU HB3 3.700 . 5.500 3.872 3.872 3.872 . 0 0 "[ ]" 1
1642 2 92 VAL H 2 92 VAL HB 3.200 . 4.400 2.443 2.443 2.443 . 0 0 "[ ]" 1
1643 2 91 ALA MB 2 92 VAL H 3.300 . 4.700 3.032 3.032 3.032 . 0 0 "[ ]" 1
1644 2 92 VAL H 2 92 VAL MG1 2.900 . 4.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
1645 2 92 VAL H 2 92 VAL MG2 3.100 . 4.300 2.676 2.676 2.676 . 0 0 "[ ]" 1
1646 1 2 PRO HB3 1 3 LEU H 4.500 . 6.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
1647 1 6 LYS H 1 7 GLN HA 3.600 . 5.200 4.513 4.513 4.513 . 0 0 "[ ]" 1
1648 1 5 SER HA 1 6 LYS H 2.700 . 3.600 2.343 2.343 2.343 . 0 0 "[ ]" 1
1649 1 6 LYS H 1 6 LYS HB3 2.700 . 3.600 2.929 2.929 2.929 . 0 0 "[ ]" 1
1650 2 52 ALA H 2 53 LYS H 2.800 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
1651 1 5 SER HB3 1 6 LYS H 3.100 . 4.300 3.051 3.051 3.051 . 0 0 "[ ]" 1
1652 2 49 GLN HG2 2 52 ALA H 2.900 . 6.000 5.147 5.147 5.147 . 0 0 "[ ]" 1
1653 2 52 ALA H 2 52 ALA MB 2.600 . 3.400 2.324 2.324 2.324 . 0 0 "[ ]" 1
1654 2 120 LYS H 2 123 VAL H 2.800 . 3.800 2.895 2.895 2.895 . 0 0 "[ ]" 1
1655 2 122 ASP H 2 123 VAL H 2.300 . 2.900 2.631 2.631 2.631 . 0 0 "[ ]" 1
1656 2 119 ARG HA 2 123 VAL H 3.600 . 5.200 2.987 2.987 2.987 . 0 0 "[ ]" 1
1657 2 122 ASP HA 2 123 VAL H 2.800 . 3.800 2.687 2.687 2.687 . 0 0 "[ ]" 1
1658 2 123 VAL H 2 123 VAL HA 2.500 . 3.300 2.919 2.919 2.919 . 0 0 "[ ]" 1
1659 2 121 ASP HB3 2 123 VAL H 2.200 . 6.000 4.838 4.838 4.838 . 0 0 "[ ]" 1
1660 2 123 VAL H 2 123 VAL HB 2.200 . 2.800 2.856 2.856 2.856 0.056 1 0 "[ ]" 1
1661 2 120 LYS HB3 2 123 VAL H 3.700 . 5.400 4.737 4.737 4.737 . 0 0 "[ ]" 1
1662 2 119 ARG QG 2 123 VAL H 2.800 . 3.800 2.075 2.075 2.075 . 0 0 "[ ]" 1
1663 2 97 VAL MG2 2 123 VAL H 4.100 . 6.000 6.037 6.037 6.037 0.037 1 0 "[ ]" 1
1664 2 123 VAL H 2 124 THR HA 4.600 . 6.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
1665 2 121 ASP HA 2 123 VAL H 4.100 . 6.000 4.908 4.908 4.908 . 0 0 "[ ]" 1
1666 2 87 LYS H 2 88 ALA H 3.700 . 5.400 4.371 4.371 4.371 . 0 0 "[ ]" 1
1667 2 88 ALA H 2 88 ALA HA 2.600 . 3.400 2.923 2.923 2.923 . 0 0 "[ ]" 1
1668 2 87 LYS HA 2 88 ALA H 2.100 . 2.700 2.311 2.311 2.311 . 0 0 "[ ]" 1
1669 2 88 ALA H 2 101 GLU HA 3.700 . 5.400 4.624 4.624 4.624 . 0 0 "[ ]" 1
1670 2 88 ALA H 2 101 GLU QG 3.300 . 4.700 4.112 4.112 4.112 . 0 0 "[ ]" 1
1671 2 88 ALA H 2 101 GLU QB 3.000 . 4.200 4.050 4.050 4.050 . 0 0 "[ ]" 1
1672 2 88 ALA H 2 88 ALA MB 2.100 . 2.700 2.168 2.168 2.168 . 0 0 "[ ]" 1
1673 2 86 ILE MD 2 88 ALA H 3.900 . 5.800 4.856 4.856 4.856 . 0 0 "[ ]" 1
1674 2 88 ALA H 2 89 TYR H 4.300 . 5.800 4.448 4.448 4.448 . 0 0 "[ ]" 1
1675 2 100 LEU H 2 101 GLU H 3.600 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 1
1676 2 99 LEU HA 2 100 LEU H 2.000 . 2.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
1677 2 88 ALA HA 2 100 LEU H 2.500 . 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 1
1678 2 100 LEU H 2 103 GLU HG3 3.000 . 4.100 2.186 2.186 2.186 . 0 0 "[ ]" 1
1679 2 100 LEU H 2 103 GLU HG2 2.900 . 3.900 2.755 2.755 2.755 . 0 0 "[ ]" 1
1680 2 100 LEU H 2 103 GLU HB2 2.100 . 2.700 1.969 1.969 1.969 . 0 0 "[ ]" 1
1681 2 99 LEU HB3 2 100 LEU H 2.400 . 3.100 2.598 2.598 2.598 . 0 0 "[ ]" 1
1682 2 100 LEU H 2 100 LEU QB 2.300 . 3.000 2.328 2.328 2.328 . 0 0 "[ ]" 1
1683 2 100 LEU H 2 100 LEU QD 2.700 . 3.600 3.062 3.062 3.062 . 0 0 "[ ]" 1
1684 2 99 LEU MD2 2 100 LEU H 3.500 . 5.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
1685 2 99 LEU MD1 2 100 LEU H 4.600 . 6.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
1686 2 96 GLU HB2 2 97 VAL H 3.400 . 4.800 3.247 3.247 3.247 . 0 0 "[ ]" 1
1687 2 72 GLU HA 2 73 ASP H 2.300 . 2.900 2.208 2.208 2.208 . 0 0 "[ ]" 1
1688 2 73 ASP H 2 73 ASP HB3 4.100 . 6.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
1689 2 16 ILE H 2 17 ALA H 2.300 . 2.900 1.785 1.785 1.785 . 0 0 "[ ]" 1
1690 2 17 ALA H 2 62 LEU HA 4.200 . 6.000 5.263 5.263 5.263 . 0 0 "[ ]" 1
1691 2 16 ILE HA 2 17 ALA H 2.800 . 3.800 3.207 3.207 3.207 . 0 0 "[ ]" 1
1692 2 17 ALA H 2 61 PHE HA 3.800 . 5.600 5.376 5.376 5.376 . 0 0 "[ ]" 1
1693 2 16 ILE HB 2 17 ALA H 4.000 . 6.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
1694 2 17 ALA H 2 29 LEU HB2 3.900 . 5.800 4.660 4.660 4.660 . 0 0 "[ ]" 1
1695 2 15 ALA MB 2 17 ALA H 2.900 . 4.000 2.655 2.655 2.655 . 0 0 "[ ]" 1
1696 2 17 ALA H 2 29 LEU MD1 3.100 . 4.300 3.537 3.537 3.537 . 0 0 "[ ]" 1
1697 2 17 ALA H 2 29 LEU MD2 2.800 . 3.800 3.777 3.777 3.777 . 0 0 "[ ]" 1
1698 2 17 ALA H 2 62 LEU MD2 3.800 . 5.600 5.565 5.565 5.565 . 0 0 "[ ]" 1
1699 2 17 ALA H 2 18 ASP H 3.900 . 5.600 4.368 4.368 4.368 . 0 0 "[ ]" 1
1700 2 15 ALA HA 2 17 ALA H 3.700 . 5.400 3.961 3.961 3.961 . 0 0 "[ ]" 1
1701 2 17 ALA H 2 31 THR HA 3.000 . 4.100 3.328 3.328 3.328 . 0 0 "[ ]" 1
1702 2 115 TRP HA 2 127 PHE H 3.900 . 5.800 3.768 3.768 3.768 . 0 0 "[ ]" 1
1703 2 126 TYR H 2 127 PHE H 4.500 . 6.000 4.423 4.423 4.423 . 0 0 "[ ]" 1
1704 2 115 TRP HE3 2 127 PHE H 3.500 . 5.000 3.348 3.348 3.348 . 0 0 "[ ]" 1
1705 2 126 TYR HA 2 127 PHE H 2.300 . 3.000 2.145 2.145 2.145 . 0 0 "[ ]" 1
1706 2 127 PHE H 2 127 PHE HA 3.000 . 4.100 2.899 2.899 2.899 . 0 0 "[ ]" 1
1707 2 117 VAL HA 2 127 PHE H 4.300 . 6.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
1708 2 126 TYR HB3 2 127 PHE H 3.000 . 4.200 3.308 3.308 3.308 . 0 0 "[ ]" 1
1709 2 127 PHE H 2 127 PHE HB3 3.400 . 4.900 3.281 3.281 3.281 . 0 0 "[ ]" 1
1710 2 115 TRP HB2 2 127 PHE H 4.200 . 6.000 4.118 4.118 4.118 . 0 0 "[ ]" 1
1711 2 127 PHE H 2 127 PHE HB2 2.800 . 3.800 2.941 2.941 2.941 . 0 0 "[ ]" 1
1712 2 118 ILE MD 2 127 PHE H 3.800 . 5.600 5.062 5.062 5.062 . 0 0 "[ ]" 1
1713 2 127 PHE H 2 128 PRO HD2 4.400 . 6.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
1714 2 107 VAL MG2 2 127 PHE H 4.300 . 6.000 2.851 2.851 2.851 . 0 0 "[ ]" 1
1715 2 97 VAL H 2 126 TYR H 4.200 . 6.000 2.852 2.852 2.852 . 0 0 "[ ]" 1
1716 2 96 GLU H 2 97 VAL H 4.500 . 6.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
1717 2 89 TYR QE 2 97 VAL H 4.200 . 6.000 3.829 3.829 3.829 . 0 0 "[ ]" 1
1718 2 97 VAL H 2 127 PHE HA 4.300 . 6.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
1719 2 95 ASP HB2 2 97 VAL H 4.400 . 6.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
1720 2 97 VAL H 2 118 ILE MG 5.200 . 6.000 4.765 4.765 4.765 . 0 0 "[ ]" 1
1721 2 97 VAL H 2 98 SER H 4.200 . 6.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
1722 2 96 GLU HA 2 97 VAL H 2.300 . 3.000 2.383 2.383 2.383 . 0 0 "[ ]" 1
1723 2 97 VAL H 2 97 VAL HA 2.800 . 3.800 2.947 2.947 2.947 . 0 0 "[ ]" 1
1724 2 91 ALA HA 2 97 VAL H 4.400 . 6.000 4.424 4.424 4.424 . 0 0 "[ ]" 1
1725 2 97 VAL H 2 125 GLY QA 4.200 . 6.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
1726 2 96 GLU HB3 2 97 VAL H 2.600 . 3.400 2.484 2.484 2.484 . 0 0 "[ ]" 1
1727 2 97 VAL H 2 97 VAL HB 3.100 . 4.300 3.094 3.094 3.094 . 0 0 "[ ]" 1
1728 2 91 ALA MB 2 97 VAL H 3.600 . 5.200 3.719 3.719 3.719 . 0 0 "[ ]" 1
1729 1 7 GLN H 2 56 TRP HZ2 3.700 . 6.000 3.895 3.895 3.895 . 0 0 "[ ]" 1
1730 1 7 GLN H 1 7 GLN HA 3.000 . 4.100 2.850 2.850 2.850 . 0 0 "[ ]" 1
1731 1 7 GLN H 1 8 PRO HD2 4.700 . 6.000 5.079 5.079 5.079 . 0 0 "[ ]" 1
1732 1 6 LYS HD3 1 7 GLN H 3.400 . 4.900 3.734 3.734 3.734 . 0 0 "[ ]" 1
1733 2 7 PRO HB3 2 8 ILE H 3.400 . 4.800 4.569 4.569 4.569 . 0 0 "[ ]" 1
1734 1 6 LYS HA 1 7 GLN H 2.000 . 2.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
1735 2 8 ILE H 2 8 ILE HA 2.700 . 3.600 2.935 2.935 2.935 . 0 0 "[ ]" 1
1736 2 7 PRO QD 2 8 ILE H 2.800 . 6.000 2.804 2.804 2.804 . 0 0 "[ ]" 1
1737 2 8 ILE H 2 8 ILE HB 2.200 . 2.800 2.624 2.624 2.624 . 0 0 "[ ]" 1
1738 2 8 ILE H 2 8 ILE HG13 2.700 . 3.600 2.553 2.553 2.553 . 0 0 "[ ]" 1
1739 2 8 ILE H 2 8 ILE HG12 3.500 . 5.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
1740 2 8 ILE H 2 8 ILE MD 3.200 . 4.500 2.906 2.906 2.906 . 0 0 "[ ]" 1
1741 2 73 ASP H 2 73 ASP HB2 3.600 . 5.200 3.557 3.557 3.557 . 0 0 "[ ]" 1
1742 2 71 THR MG 2 73 ASP H 3.500 . 5.100 5.139 5.139 5.139 0.039 1 0 "[ ]" 1
1743 2 43 SER H 2 45 TRP H 4.100 . 6.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
1744 2 45 TRP H 2 45 TRP HE1 4.400 . 6.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
1745 2 45 TRP H 2 45 TRP HD1 3.500 . 5.100 3.623 3.623 3.623 . 0 0 "[ ]" 1
1746 2 41 SER HB3 2 45 TRP H 2.800 . 3.800 3.828 3.828 3.828 0.028 1 0 "[ ]" 1
1747 2 44 GLY HA3 2 45 TRP H 3.800 . 5.700 3.167 3.167 3.167 . 0 0 "[ ]" 1
1748 2 45 TRP H 2 45 TRP HB3 3.900 . 5.800 3.555 3.555 3.555 . 0 0 "[ ]" 1
1749 2 58 PRO HD2 2 61 PHE H 5.000 . 6.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
1750 2 59 ALA MB 2 61 PHE H 4.400 . 6.000 4.689 4.689 4.689 . 0 0 "[ ]" 1
1751 2 60 SER H 2 61 PHE H 3.000 . 4.100 2.895 2.895 2.895 . 0 0 "[ ]" 1
1752 2 61 PHE H 2 62 LEU H 2.500 . 3.300 2.575 2.575 2.575 . 0 0 "[ ]" 1
1753 2 61 PHE H 2 61 PHE QD 3.000 . 6.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
1754 2 61 PHE H 2 61 PHE HA 2.900 . 3.900 2.821 2.821 2.821 . 0 0 "[ ]" 1
1755 2 60 SER HB2 2 61 PHE H 3.800 . 5.600 2.844 2.844 2.844 . 0 0 "[ ]" 1
1756 2 61 PHE H 2 61 PHE HB3 3.400 . 4.800 3.472 3.472 3.472 . 0 0 "[ ]" 1
1757 2 61 PHE H 2 61 PHE HB2 2.200 . 2.800 2.164 2.164 2.164 . 0 0 "[ ]" 1
1758 2 59 ALA HA 2 61 PHE H 3.800 . 5.600 4.574 4.574 4.574 . 0 0 "[ ]" 1
1759 2 61 PHE H 2 62 LEU HB3 4.200 . 6.000 5.792 5.792 5.792 . 0 0 "[ ]" 1
1760 2 61 PHE H 2 62 LEU HB2 3.700 . 5.400 4.371 4.371 4.371 . 0 0 "[ ]" 1
1761 2 29 LEU MD2 2 61 PHE H 4.200 . 6.000 5.098 5.098 5.098 . 0 0 "[ ]" 1
1762 2 61 PHE H 2 62 LEU MD1 4.600 . 6.000 5.866 5.866 5.866 . 0 0 "[ ]" 1
1763 2 87 LYS H 2 102 GLY H 3.700 . 5.400 4.492 4.492 4.492 . 0 0 "[ ]" 1
1764 2 87 LYS H 2 101 GLU H 4.400 . 6.000 5.989 5.989 5.989 . 0 0 "[ ]" 1
1765 2 26 GLU H 2 27 MET H 4.800 . 6.000 4.637 4.637 4.637 . 0 0 "[ ]" 1
1766 2 26 GLU H 2 26 GLU HG2 5.000 . 6.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
1767 2 25 SER H 2 26 GLU H 3.900 . 4.600 4.193 4.193 4.193 . 0 0 "[ ]" 1
1768 2 26 GLU H 2 26 GLU HB3 4.700 . 6.000 4.014 4.014 4.014 . 0 0 "[ ]" 1
1769 2 116 TRP HB2 2 127 PHE H 3.900 . 5.800 4.114 4.114 4.114 . 0 0 "[ ]" 1
1770 2 127 PHE H 2 128 PRO HD3 4.500 . 6.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
1771 2 99 LEU H 2 100 LEU H 3.800 . 5.600 4.408 4.408 4.408 . 0 0 "[ ]" 1
1772 2 89 TYR H 2 99 LEU H 2.900 . 4.000 3.676 3.676 3.676 . 0 0 "[ ]" 1
1773 2 98 SER H 2 99 LEU H 4.100 . 6.000 4.147 4.147 4.147 . 0 0 "[ ]" 1
1774 2 98 SER HA 2 99 LEU H 2.200 . 2.800 2.150 2.150 2.150 . 0 0 "[ ]" 1
1775 2 99 LEU H 2 99 LEU HA 2.700 . 3.600 2.921 2.921 2.921 . 0 0 "[ ]" 1
1776 2 88 ALA HA 2 99 LEU H 3.900 . 5.800 5.078 5.078 5.078 . 0 0 "[ ]" 1
1777 2 90 THR HA 2 99 LEU H 3.300 . 4.700 3.506 3.506 3.506 . 0 0 "[ ]" 1
1778 2 47 PHE HA 2 56 TRP H 3.500 . 5.100 3.610 3.610 3.610 . 0 0 "[ ]" 1
1779 2 89 TYR HB3 2 99 LEU H 3.800 . 5.700 3.953 3.953 3.953 . 0 0 "[ ]" 1
1780 2 99 LEU H 2 120 LYS HD2 3.100 . 6.000 6.011 6.011 6.011 0.011 1 0 "[ ]" 1
1781 2 27 MET HB2 2 56 TRP H 4.100 . 6.000 5.032 5.032 5.032 . 0 0 "[ ]" 1
1782 2 90 THR MG 2 99 LEU H 3.400 . 4.900 4.545 4.545 4.545 . 0 0 "[ ]" 1
1783 2 97 VAL MG1 2 99 LEU H 3.600 . 5.200 3.846 3.846 3.846 . 0 0 "[ ]" 1
1784 2 99 LEU H 2 99 LEU MD2 3.900 . 5.800 4.626 4.626 4.626 . 0 0 "[ ]" 1
1785 2 99 LEU H 2 99 LEU MD1 4.400 . 6.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
1786 2 55 GLY H 2 56 TRP H 3.800 . 5.600 4.398 4.398 4.398 . 0 0 "[ ]" 1
1787 2 56 TRP H 2 57 ILE H 4.500 . 6.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
1788 2 56 TRP H 2 56 TRP HD1 2.900 . 3.900 3.206 3.206 3.206 . 0 0 "[ ]" 1
1789 2 27 MET HA 2 56 TRP H 4.700 . 6.000 4.669 4.669 4.669 . 0 0 "[ ]" 1
1790 2 55 GLY HA3 2 56 TRP H 2.700 . 3.600 2.280 2.280 2.280 . 0 0 "[ ]" 1
1791 2 55 GLY HA2 2 56 TRP H 2.800 . 3.700 2.898 2.898 2.898 . 0 0 "[ ]" 1
1792 2 21 LYS HE3 2 56 TRP H 2.500 . 6.000 6.008 6.008 6.008 0.008 1 0 "[ ]" 1
1793 2 26 GLU HB2 2 56 TRP H 4.800 . 6.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
1794 2 26 GLU HG2 2 56 TRP H 4.400 . 6.000 4.846 4.846 4.846 . 0 0 "[ ]" 1
1795 2 34 VAL H 2 35 VAL H 4.100 . 6.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
1796 2 14 ARG HA 2 34 VAL H 4.400 . 6.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
1797 2 33 ASP HB2 2 34 VAL H 3.500 . 5.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
1798 2 15 ALA MB 2 34 VAL H 4.400 . 6.000 5.401 5.401 5.401 . 0 0 "[ ]" 1
1799 2 29 LEU MD1 2 34 VAL H 2.700 . 6.000 5.536 5.536 5.536 . 0 0 "[ ]" 1
1800 2 34 VAL H 2 34 VAL HA 2.900 . 3.900 2.947 2.947 2.947 . 0 0 "[ ]" 1
1801 2 33 ASP HA 2 34 VAL H 2.200 . 2.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
1802 2 34 VAL H 2 34 VAL HB 2.400 . 6.000 3.310 3.310 3.310 . 0 0 "[ ]" 1
1803 2 34 VAL H 2 51 LYS HG2 4.600 . 6.000 6.004 6.004 6.004 0.004 1 0 "[ ]" 1
1804 1 19 GLU H 1 20 ALA H 2.700 . 3.600 2.689 2.689 2.689 . 0 0 "[ ]" 1
1805 1 20 ALA H 1 23 LYS H 4.800 . 7.000 4.720 4.720 4.720 . 0 0 "[ ]" 1
1806 1 20 ALA H 1 21 ARG H 2.300 . 3.000 2.524 2.524 2.524 . 0 0 "[ ]" 1
1807 1 20 ALA H 1 20 ALA HA 2.500 . 3.300 2.863 2.863 2.863 . 0 0 "[ ]" 1
1808 1 20 ALA H 1 21 ARG HA 4.800 . 6.000 5.173 5.173 5.173 . 0 0 "[ ]" 1
1809 1 19 GLU HA 1 20 ALA H 3.000 . 4.100 3.482 3.482 3.482 . 0 0 "[ ]" 1
1810 1 18 ALA HA 1 20 ALA H 3.700 . 5.400 4.046 4.046 4.046 . 0 0 "[ ]" 1
1811 1 20 ALA H 1 21 ARG HD3 4.400 . 6.000 5.344 5.344 5.344 . 0 0 "[ ]" 1
1812 1 19 GLU HB3 1 20 ALA H 3.200 . 4.500 4.250 4.250 4.250 . 0 0 "[ ]" 1
1813 1 17 PRO HB2 1 20 ALA H 3.200 . 4.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
1814 1 20 ALA H 1 21 ARG HG3 4.500 . 6.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
1815 1 20 ALA H 1 22 LYS QG 3.500 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 1
1816 1 20 ALA H 1 20 ALA MB 2.400 . 3.100 2.262 2.262 2.262 . 0 0 "[ ]" 1
1817 2 14 ARG H 2 65 LEU H 3.800 . 5.600 2.818 2.818 2.818 . 0 0 "[ ]" 1
1818 2 35 VAL H 2 65 LEU H 4.900 . 6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1
1819 2 65 LEU H 2 66 ASP H 2.600 . 3.100 2.318 2.318 2.318 . 0 0 "[ ]" 1
1820 2 13 TYR QD 2 65 LEU H 4.300 . 6.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
1821 2 12 THR HA 2 65 LEU H 4.600 . 6.000 5.227 5.227 5.227 . 0 0 "[ ]" 1
1822 2 65 LEU H 2 65 LEU HA 2.700 . 3.600 2.891 2.891 2.891 . 0 0 "[ ]" 1
1823 2 64 PRO HA 2 65 LEU H 2.100 . 2.700 2.141 2.141 2.141 . 0 0 "[ ]" 1
1824 2 64 PRO QG 2 65 LEU H 4.400 . 6.000 4.731 4.731 4.731 . 0 0 "[ ]" 1
1825 2 64 PRO HB2 2 65 LEU H 3.600 . 5.200 4.115 4.115 4.115 . 0 0 "[ ]" 1
1826 2 65 LEU H 2 65 LEU HB3 2.600 . 3.400 2.339 2.339 2.339 . 0 0 "[ ]" 1
1827 2 65 LEU H 2 65 LEU HB2 2.300 . 3.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
1828 2 13 TYR HA 2 65 LEU H 2.200 . 2.800 1.602 1.602 1.602 . 0 0 "[ ]" 1
1829 2 65 LEU H 2 66 ASP HA 4.700 . 6.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
1830 2 13 TYR HB3 2 65 LEU H 5.000 . 6.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
1831 2 65 LEU H 2 66 ASP HB2 4.700 . 6.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
1832 2 65 LEU H 2 65 LEU QD 3.600 . 5.200 3.773 3.773 3.773 . 0 0 "[ ]" 1
1833 2 21 LYS H 2 28 ALA H 4.200 . 6.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
1834 2 85 ALA H 2 87 LYS H 4.600 . 6.000 5.513 5.513 5.513 . 0 0 "[ ]" 1
1835 2 86 ILE H 2 87 LYS H 2.100 . 3.100 2.337 2.337 2.337 . 0 0 "[ ]" 1
1836 2 87 LYS H 2 127 PHE QE 4.700 . 6.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
1837 2 87 LYS H 2 132 LEU HA 3.900 . 5.800 4.061 4.061 4.061 . 0 0 "[ ]" 1
1838 2 85 ALA HA 2 87 LYS H 2.900 . 4.000 3.456 3.456 3.456 . 0 0 "[ ]" 1
1839 2 87 LYS H 2 131 TYR HA 4.400 . 6.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
1840 2 86 ILE HA 2 87 LYS H 2.800 . 3.800 3.157 3.157 3.157 . 0 0 "[ ]" 1
1841 2 87 LYS H 2 87 LYS HA 2.600 . 3.400 2.908 2.908 2.908 . 0 0 "[ ]" 1
1842 2 87 LYS H 2 131 TYR HB3 4.000 . 6.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
1843 2 87 LYS H 2 101 GLU HA 3.100 . 4.300 3.661 3.661 3.661 . 0 0 "[ ]" 1
1844 2 87 LYS H 2 89 TYR HB2 4.800 . 6.000 5.481 5.481 5.481 . 0 0 "[ ]" 1
1845 2 87 LYS H 2 101 GLU QG 3.700 . 5.400 4.252 4.252 4.252 . 0 0 "[ ]" 1
1846 2 84 VAL HB 2 87 LYS H 4.200 . 6.000 5.075 5.075 5.075 . 0 0 "[ ]" 1
1847 2 85 ALA MB 2 87 LYS H 2.500 . 3.300 2.859 2.859 2.859 . 0 0 "[ ]" 1
1848 2 87 LYS H 2 87 LYS HB3 2.900 . 4.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
1849 2 86 ILE MD 2 87 LYS H 3.000 . 4.100 3.617 3.617 3.617 . 0 0 "[ ]" 1
1850 2 87 LYS H 2 105 VAL MG1 4.500 . 6.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
1851 2 112 LEU H 2 113 ASP H 3.100 . 3.800 2.494 2.494 2.494 . 0 0 "[ ]" 1
1852 2 112 LEU H 2 112 LEU HA 2.900 . 3.900 2.890 2.890 2.890 . 0 0 "[ ]" 1
1853 2 111 LEU HA 2 112 LEU H 2.200 . 2.800 2.418 2.418 2.418 . 0 0 "[ ]" 1
1854 2 73 ASP HB3 2 112 LEU H 3.800 . 5.600 4.958 4.958 4.958 . 0 0 "[ ]" 1
1855 2 73 ASP HB2 2 112 LEU H 4.000 . 6.000 5.403 5.403 5.403 . 0 0 "[ ]" 1
1856 2 42 GLU QG 2 112 LEU H 4.700 . 6.000 5.716 5.716 5.716 . 0 0 "[ ]" 1
1857 2 111 LEU HB3 2 112 LEU H 3.600 . 5.200 2.743 2.743 2.743 . 0 0 "[ ]" 1
1858 2 112 LEU H 2 112 LEU HB3 3.000 . 4.100 3.016 3.016 3.016 . 0 0 "[ ]" 1
1859 2 111 LEU HB2 2 112 LEU H 2.600 . 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
1860 2 111 LEU HG 2 112 LEU H 4.500 . 6.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
1861 2 111 LEU MD1 2 112 LEU H 3.600 . 5.200 3.875 3.875 3.875 . 0 0 "[ ]" 1
1862 2 111 LEU MD2 2 112 LEU H 3.800 . 5.600 4.395 4.395 4.395 . 0 0 "[ ]" 1
1863 2 73 ASP HB3 2 75 GLU H 4.700 . 6.000 5.393 5.393 5.393 . 0 0 "[ ]" 1
1864 2 75 GLU H 2 76 PRO HD2 3.500 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
1865 2 74 PRO HB3 2 75 GLU H 2.700 . 3.600 3.337 3.337 3.337 . 0 0 "[ ]" 1
1866 2 75 GLU H 2 75 GLU HB2 2.100 . 6.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
1867 2 75 GLU H 2 110 LYS QD 4.700 . 6.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
1868 2 75 GLU H 2 76 PRO HD3 3.300 . 4.600 4.352 4.352 4.352 . 0 0 "[ ]" 1
1869 2 74 PRO QG 2 75 GLU H 3.300 . 4.700 3.892 3.892 3.892 . 0 0 "[ ]" 1
1870 2 78 TYR H 2 78 TYR QD 3.300 . 6.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
1871 2 77 ASN HA 2 78 TYR H 2.200 . 2.800 2.163 2.163 2.163 . 0 0 "[ ]" 1
1872 2 78 TYR H 2 78 TYR HA 2.800 . 3.800 2.811 2.811 2.811 . 0 0 "[ ]" 1
1873 2 78 TYR H 2 78 TYR HB3 2.800 . 3.800 3.085 3.085 3.085 . 0 0 "[ ]" 1
1874 2 78 TYR H 2 78 TYR HB2 2.600 . 3.400 2.153 2.153 2.153 . 0 0 "[ ]" 1
1875 2 77 ASN HB2 2 78 TYR H 4.300 . 6.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
1876 2 77 ASN H 2 78 TYR H 4.000 . 6.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
1877 2 78 TYR H 2 80 GLY H 4.400 . 6.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
1878 2 78 TYR H 2 79 ALA MB 4.400 . 6.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
1879 1 19 GLU HG2 1 20 ALA H 4.000 . 6.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
1880 2 132 LEU H 2 133 GLN H 3.900 . 5.800 4.412 4.412 4.412 . 0 0 "[ ]" 1
1881 2 131 TYR H 2 132 LEU H 2.500 . 3.300 2.929 2.929 2.929 . 0 0 "[ ]" 1
1882 2 131 TYR QD 2 132 LEU H 4.000 . 6.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
1883 2 132 LEU H 2 132 LEU HA 2.800 . 3.800 2.919 2.919 2.919 . 0 0 "[ ]" 1
1884 2 131 TYR HA 2 132 LEU H 2.900 . 4.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
1885 2 131 TYR HB2 2 132 LEU H 3.600 . 5.200 3.414 3.414 3.414 . 0 0 "[ ]" 1
1886 2 129 SER HA 2 132 LEU H 4.200 . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
1887 2 132 LEU H 2 132 LEU HB3 3.300 . 4.700 3.569 3.569 3.569 . 0 0 "[ ]" 1
1888 2 87 LYS HG3 2 132 LEU H 2.900 . 6.000 4.845 4.845 4.845 . 0 0 "[ ]" 1
1889 2 86 ILE MG 2 132 LEU H 3.500 . 5.100 4.272 4.272 4.272 . 0 0 "[ ]" 1
1890 2 132 LEU H 2 132 LEU MD1 4.200 . 6.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
1891 2 132 LEU H 2 132 LEU MD2 2.900 . 4.000 3.352 3.352 3.352 . 0 0 "[ ]" 1
1892 2 116 TRP HE3 2 132 LEU H 5.800 . 6.000 5.497 5.497 5.497 . 0 0 "[ ]" 1
1893 2 83 TYR HA 2 132 LEU H 4.200 . 6.000 4.908 4.908 4.908 . 0 0 "[ ]" 1
1894 2 21 LYS H 2 22 THR H 3.400 . 4.900 4.645 4.645 4.645 . 0 0 "[ ]" 1
1895 2 21 LYS H 2 28 ALA HA 3.000 . 4.100 2.401 2.401 2.401 . 0 0 "[ ]" 1
1896 2 20 GLU HA 2 21 LYS H 1.900 . 2.400 2.230 2.230 2.230 . 0 0 "[ ]" 1
1897 2 21 LYS H 2 21 LYS HA 2.900 . 3.900 2.310 2.310 2.310 . 0 0 "[ ]" 1
1898 2 21 LYS H 2 21 LYS HD3 3.800 . 5.600 2.719 2.719 2.719 . 0 0 "[ ]" 1
1899 2 20 GLU HB3 2 21 LYS H 3.400 . 4.800 4.003 4.003 4.003 . 0 0 "[ ]" 1
1900 2 20 GLU HB2 2 21 LYS H 2.500 . 3.300 2.972 2.972 2.972 . 0 0 "[ ]" 1
1901 2 21 LYS H 2 28 ALA MB 2.700 . 3.600 3.636 3.636 3.636 0.036 1 0 "[ ]" 1
1902 2 21 LYS H 2 21 LYS QG 2.500 . 3.300 2.762 2.762 2.762 . 0 0 "[ ]" 1
1903 2 29 LEU H 2 30 SER H 3.800 . 5.600 4.297 4.297 4.297 . 0 0 "[ ]" 1
1904 2 30 SER H 2 33 ASP H 4.200 . 6.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
1905 2 30 SER H 2 31 THR H 4.300 . 5.600 4.349 4.349 4.349 . 0 0 "[ ]" 1
1906 2 30 SER H 2 30 SER HA 3.000 . 4.100 2.946 2.946 2.946 . 0 0 "[ ]" 1
1907 2 29 LEU HA 2 30 SER H 2.200 . 2.800 2.146 2.146 2.146 . 0 0 "[ ]" 1
1908 2 30 SER H 2 33 ASP HA 5.000 . 6.000 5.725 5.725 5.725 . 0 0 "[ ]" 1
1909 2 30 SER H 2 30 SER HB3 2.900 . 3.900 2.924 2.924 2.924 . 0 0 "[ ]" 1
1910 2 30 SER H 2 30 SER HB2 3.000 . 4.100 3.777 3.777 3.777 . 0 0 "[ ]" 1
1911 2 30 SER H 2 33 ASP HB2 2.900 . 4.000 2.954 2.954 2.954 . 0 0 "[ ]" 1
1912 2 30 SER H 2 50 MET ME 3.900 . 5.800 3.508 3.508 3.508 . 0 0 "[ ]" 1
1913 2 29 LEU HG 2 30 SER H 3.500 . 5.100 3.138 3.138 3.138 . 0 0 "[ ]" 1
1914 2 29 LEU HB3 2 30 SER H 3.600 . 5.200 3.935 3.935 3.935 . 0 0 "[ ]" 1
1915 2 29 LEU MD2 2 30 SER H 3.800 . 5.600 4.521 4.521 4.521 . 0 0 "[ ]" 1
1916 2 28 ALA HA 2 30 SER H 3.100 . 6.000 6.000 6.000 6.000 . 0 0 "[ ]" 1
1917 2 28 ALA MB 2 30 SER H 4.400 . 6.000 4.766 4.766 4.766 . 0 0 "[ ]" 1
1918 2 69 ASP H 2 70 GLU H 2.500 . 3.100 2.564 2.564 2.564 . 0 0 "[ ]" 1
1919 2 70 GLU H 2 71 THR H 2.700 . 3.600 2.602 2.602 2.602 . 0 0 "[ ]" 1
1920 2 69 ASP HA 2 70 GLU H 2.400 . 4.100 3.534 3.534 3.534 . 0 0 "[ ]" 1
1921 2 70 GLU H 2 70 GLU HA 2.500 . 3.300 2.267 2.267 2.267 . 0 0 "[ ]" 1
1922 2 67 SER QB 2 70 GLU H 3.800 . 5.600 3.233 3.233 3.233 . 0 0 "[ ]" 1
1923 2 69 ASP HB3 2 70 GLU H 3.200 . 4.500 3.588 3.588 3.588 . 0 0 "[ ]" 1
1924 2 69 ASP HB2 2 70 GLU H 3.400 . 4.800 2.595 2.595 2.595 . 0 0 "[ ]" 1
1925 2 70 GLU H 2 70 GLU QG 2.800 . 3.800 3.100 3.100 3.100 . 0 0 "[ ]" 1
1926 2 70 GLU H 2 70 GLU HB3 3.100 . 4.300 4.102 4.102 4.102 . 0 0 "[ ]" 1
1927 2 70 GLU H 2 70 GLU HB2 2.300 . 6.000 3.351 3.351 3.351 . 0 0 "[ ]" 1
1928 2 70 GLU H 2 71 THR MG 4.600 . 6.000 6.082 6.082 6.082 0.082 1 0 "[ ]" 1
1929 2 108 ILE H 2 119 ARG H 3.700 . 5.400 3.889 3.889 3.889 . 0 0 "[ ]" 1
1930 2 106 GLU H 2 119 ARG H 3.100 . 4.300 3.407 3.407 3.407 . 0 0 "[ ]" 1
1931 2 118 ILE HA 2 119 ARG H 2.300 . 2.900 2.112 2.112 2.112 . 0 0 "[ ]" 1
1932 2 106 GLU HA 2 119 ARG H 4.000 . 6.000 4.790 4.790 4.790 . 0 0 "[ ]" 1
1933 2 106 GLU HG3 2 119 ARG H 4.300 . 6.000 5.613 5.613 5.613 . 0 0 "[ ]" 1
1934 2 105 VAL HB 2 119 ARG H 3.200 . 4.500 4.553 4.553 4.553 0.053 1 0 "[ ]" 1
1935 2 106 GLU HB3 2 119 ARG H 3.000 . 4.100 3.236 3.236 3.236 . 0 0 "[ ]" 1
1936 2 119 ARG H 2 119 ARG HB2 2.500 . 3.300 3.232 3.232 3.232 . 0 0 "[ ]" 1
1937 2 108 ILE HG12 2 119 ARG H 3.000 . 4.100 2.849 2.849 2.849 . 0 0 "[ ]" 1
1938 2 105 VAL MG1 2 119 ARG H 4.100 . 6.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
1939 2 83 TYR QD 2 133 GLN H 3.000 . 6.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
1940 2 83 TYR QB 2 133 GLN H 3.300 . 4.700 3.796 3.796 3.796 . 0 0 "[ ]" 1
1941 2 86 ILE MG 2 133 GLN H 2.900 . 4.000 1.879 1.879 1.879 . 0 0 "[ ]" 1
1942 2 86 ILE H 2 133 GLN H 4.300 . 6.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
1943 2 81 GLU H 2 107 VAL H 2.700 . 3.600 3.622 3.622 3.622 0.022 1 0 "[ ]" 1
1944 2 80 GLY H 2 81 GLU H 4.100 . 6.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
1945 2 81 GLU H 2 81 GLU HA 2.700 . 3.600 2.914 2.914 2.914 . 0 0 "[ ]" 1
1946 2 81 GLU H 2 108 ILE HA 4.500 . 6.000 4.993 4.993 4.993 . 0 0 "[ ]" 1
1947 2 80 GLY QA 2 81 GLU H 2.300 . 3.000 2.236 2.236 2.236 . 0 0 "[ ]" 1
1948 2 81 GLU H 2 81 GLU HB3 3.000 . 4.100 3.344 3.344 3.344 . 0 0 "[ ]" 1
1949 2 81 GLU H 2 81 GLU HB2 2.500 . 6.000 2.589 2.589 2.589 . 0 0 "[ ]" 1
1950 2 81 GLU H 2 107 VAL HB 3.100 . 4.300 2.544 2.544 2.544 . 0 0 "[ ]" 1
1951 2 81 GLU H 2 106 GLU HB3 4.200 . 6.000 6.073 6.073 6.073 0.073 1 0 "[ ]" 1
1952 2 81 GLU H 2 107 VAL MG2 4.200 . 6.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
1953 2 81 GLU H 2 107 VAL MG1 3.600 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 1
1954 2 81 GLU H 2 107 VAL HA 4.100 . 6.000 5.073 5.073 5.073 . 0 0 "[ ]" 1
1955 2 99 LEU MD1 2 103 GLU H 5.500 . 6.000 5.971 5.971 5.971 . 0 0 "[ ]" 1
1956 2 100 LEU H 2 103 GLU H 4.000 . 6.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
1957 2 102 GLY H 2 103 GLU H 2.300 . 2.900 1.960 1.960 1.960 . 0 0 "[ ]" 1
1958 2 101 GLU H 2 103 GLU H 4.000 . 6.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
1959 2 85 ALA HA 2 103 GLU H 5.200 . 6.000 5.485 5.485 5.485 . 0 0 "[ ]" 1
1960 2 86 ILE HA 2 103 GLU H 2.900 . 6.000 5.539 5.539 5.539 . 0 0 "[ ]" 1
1961 2 102 GLY HA2 2 103 GLU H 3.000 . 4.100 3.321 3.321 3.321 . 0 0 "[ ]" 1
1962 2 103 GLU H 2 103 GLU HA 2.500 . 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 1
1963 2 102 GLY HA3 2 103 GLU H 3.100 . 4.300 3.255 3.255 3.255 . 0 0 "[ ]" 1
1964 2 101 GLU HA 2 103 GLU H 3.500 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
1965 2 103 GLU H 2 103 GLU HG3 3.200 . 4.400 3.769 3.769 3.769 . 0 0 "[ ]" 1
1966 2 103 GLU H 2 103 GLU HB2 2.100 . 2.600 2.353 2.353 2.353 . 0 0 "[ ]" 1
1967 2 85 ALA MB 2 103 GLU H 2.200 . 2.800 2.643 2.643 2.643 . 0 0 "[ ]" 1
1968 2 84 VAL MG1 2 103 GLU H 3.900 . 5.800 5.595 5.595 5.595 . 0 0 "[ ]" 1
1969 2 99 LEU MD2 2 103 GLU H 4.700 . 6.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
1970 2 103 GLU H 2 105 VAL MG1 5.300 . 6.000 5.786 5.786 5.786 . 0 0 "[ ]" 1
1971 2 132 LEU HA 2 133 GLN H 2.300 . 3.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
1972 2 83 TYR HA 2 133 GLN H 3.700 . 5.400 4.385 4.385 4.385 . 0 0 "[ ]" 1
1973 2 133 GLN H 2 133 GLN HA 2.900 . 3.900 2.949 2.949 2.949 . 0 0 "[ ]" 1
1974 2 133 GLN H 2 133 GLN HB2 2.900 . 3.900 2.781 2.781 2.781 . 0 0 "[ ]" 1
1975 2 105 VAL MG1 2 133 GLN H 2.300 . 6.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
1976 2 83 TYR QE 2 133 GLN H 4.300 . 6.000 5.789 5.789 5.789 . 0 0 "[ ]" 1
1977 2 133 GLN H 2 133 GLN HB3 3.500 . 5.000 2.848 2.848 2.848 . 0 0 "[ ]" 1
1978 2 89 TYR H 2 100 LEU H 3.800 . 5.600 4.966 4.966 4.966 . 0 0 "[ ]" 1
1979 2 81 GLU H 2 110 LYS HG3 4.200 . 6.000 5.332 5.332 5.332 . 0 0 "[ ]" 1
1980 2 14 ARG H 2 14 ARG QD 5.300 . 6.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
1981 2 13 TYR QD 2 14 ARG H 3.700 . 6.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
1982 2 14 ARG H 2 62 LEU HA 4.300 . 6.000 5.204 5.204 5.204 . 0 0 "[ ]" 1
1983 2 14 ARG H 2 15 ALA HA 4.100 . 6.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
1984 2 14 ARG H 2 14 ARG HB3 2.700 . 3.600 2.461 2.461 2.461 . 0 0 "[ ]" 1
1985 2 14 ARG H 2 16 ILE MG 3.500 . 5.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
1986 2 14 ARG H 2 62 LEU MD1 4.500 . 6.000 4.731 4.731 4.731 . 0 0 "[ ]" 1
1987 2 14 ARG H 2 63 GLU H 2.900 . 3.900 3.142 3.142 3.142 . 0 0 "[ ]" 1
1988 2 13 TYR HA 2 14 ARG H 2.300 . 2.900 2.296 2.296 2.296 . 0 0 "[ ]" 1
1989 2 14 ARG H 2 65 LEU HA 4.100 . 6.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
1990 2 14 ARG H 2 14 ARG HD2 5.200 . 6.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
1991 2 13 TYR HB3 2 14 ARG H 2.800 . 6.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
1992 2 13 TYR HB2 2 14 ARG H 3.700 . 5.400 4.014 4.014 4.014 . 0 0 "[ ]" 1
1993 2 14 ARG H 2 63 GLU HG3 3.500 . 5.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
1994 2 14 ARG H 2 14 ARG HG2 3.500 . 5.100 3.495 3.495 3.495 . 0 0 "[ ]" 1
1995 2 14 ARG H 2 65 LEU HB2 3.300 . 4.600 2.812 2.812 2.812 . 0 0 "[ ]" 1
1996 2 14 ARG HG2 2 63 GLU H 4.000 . 6.000 4.591 4.591 4.591 . 0 0 "[ ]" 1
1997 2 62 LEU HA 2 63 GLU H 2.300 . 3.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
1998 2 15 ALA HA 2 63 GLU H 2.800 . 3.800 2.649 2.649 2.649 . 0 0 "[ ]" 1
1999 2 13 TYR HA 2 63 GLU H 4.000 . 6.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
2000 2 63 GLU H 2 64 PRO HD2 4.500 . 6.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
2001 2 63 GLU H 2 64 PRO HD3 5.000 . 6.000 4.077 4.077 4.077 . 0 0 "[ ]" 1
2002 2 13 TYR HB3 2 63 GLU H 3.100 . 6.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
2003 2 63 GLU H 2 63 GLU HG3 3.000 . 4.200 4.262 4.262 4.262 0.062 1 0 "[ ]" 1
2004 2 63 GLU H 2 63 GLU HG2 3.500 . 5.000 4.809 4.809 4.809 . 0 0 "[ ]" 1
2005 2 63 GLU H 2 63 GLU HB2 2.800 . 3.800 3.494 3.494 3.494 . 0 0 "[ ]" 1
2006 2 63 GLU H 2 63 GLU HB3 3.700 . 5.400 2.775 2.775 2.775 . 0 0 "[ ]" 1
2007 2 62 LEU HB3 2 63 GLU H 3.200 . 4.400 2.739 2.739 2.739 . 0 0 "[ ]" 1
2008 2 62 LEU HB2 2 63 GLU H 3.600 . 5.200 4.012 4.012 4.012 . 0 0 "[ ]" 1
2009 2 16 ILE MG 2 63 GLU H 3.500 . 5.000 4.156 4.156 4.156 . 0 0 "[ ]" 1
2010 2 62 LEU MD1 2 63 GLU H 3.600 . 5.200 3.980 3.980 3.980 . 0 0 "[ ]" 1
2011 2 89 TYR H 2 99 LEU HB2 3.700 . 5.500 4.718 4.718 4.718 . 0 0 "[ ]" 1
2012 2 89 TYR H 2 89 TYR QD 4.100 . 6.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
2013 2 89 TYR H 2 98 SER HA 4.500 . 6.000 5.348 5.348 5.348 . 0 0 "[ ]" 1
2014 2 89 TYR H 2 89 TYR HA 2.900 . 3.900 2.895 2.895 2.895 . 0 0 "[ ]" 1
2015 2 88 ALA HA 2 89 TYR H 2.100 . 2.600 2.152 2.152 2.152 . 0 0 "[ ]" 1
2016 2 89 TYR H 2 89 TYR HB3 2.900 . 4.000 2.892 2.892 2.892 . 0 0 "[ ]" 1
2017 2 89 TYR H 2 89 TYR HB2 3.200 . 4.500 3.496 3.496 3.496 . 0 0 "[ ]" 1
2018 2 89 TYR H 2 99 LEU HB3 3.500 . 5.100 4.705 4.705 4.705 . 0 0 "[ ]" 1
2019 2 88 ALA MB 2 89 TYR H 3.000 . 4.200 3.204 3.204 3.204 . 0 0 "[ ]" 1
2020 2 89 TYR H 2 90 THR MG 4.000 . 6.000 5.075 5.075 5.075 . 0 0 "[ ]" 1
2021 2 89 TYR H 2 100 LEU QD 4.200 . 6.000 3.261 3.261 3.261 . 0 0 "[ ]" 1
2022 2 89 TYR H 2 99 LEU MD2 4.700 . 6.000 6.057 6.057 6.057 0.057 1 0 "[ ]" 1
2023 2 89 TYR H 2 99 LEU MD1 4.600 . 6.000 5.963 5.963 5.963 . 0 0 "[ ]" 1
2024 2 89 TYR H 2 127 PHE QE 4.200 . 6.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
2025 2 135 SER HA 2 137 GLN H 2.700 . 3.600 2.284 2.284 2.284 . 0 0 "[ ]" 1
2026 2 136 GLY QA 2 137 GLN H 2.600 . 3.400 2.243 2.243 2.243 . 0 0 "[ ]" 1
2027 2 81 GLU HB3 2 137 GLN H 3.000 . 6.000 5.440 5.440 5.440 . 0 0 "[ ]" 1
2028 2 137 GLN H 2 137 GLN HB3 3.400 . 4.800 3.746 3.746 3.746 . 0 0 "[ ]" 1
2029 2 137 GLN H 2 137 GLN HB2 2.100 . 2.700 2.807 2.807 2.807 0.107 1 0 "[ ]" 1
2030 2 84 VAL H 2 135 SER H 3.700 . 5.400 4.211 4.211 4.211 . 0 0 "[ ]" 1
2031 2 135 SER H 2 136 GLY H 2.900 . 3.300 2.793 2.793 2.793 . 0 0 "[ ]" 1
2032 2 83 TYR QD 2 135 SER H 3.200 . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
2033 2 83 TYR HA 2 135 SER H 2.200 . 2.800 2.723 2.723 2.723 . 0 0 "[ ]" 1
2034 2 135 SER H 2 135 SER QB 2.300 . 2.900 2.866 2.866 2.866 . 0 0 "[ ]" 1
2035 2 134 LYS HA 2 135 SER H 1.900 . 2.300 2.232 2.232 2.232 . 0 0 "[ ]" 1
2036 2 134 LYS QG 2 135 SER H 3.100 . 4.300 2.230 2.230 2.230 . 0 0 "[ ]" 1
2037 2 84 VAL MG2 2 135 SER H 3.800 . 5.600 4.119 4.119 4.119 . 0 0 "[ ]" 1
2038 2 105 VAL MG1 2 135 SER H 3.100 . 6.000 5.800 5.800 5.800 . 0 0 "[ ]" 1
2039 2 85 ALA H 2 86 ILE H 3.500 . 5.100 4.486 4.486 4.486 . 0 0 "[ ]" 1
2040 2 86 ILE H 2 132 LEU HA 3.500 . 5.100 1.833 1.833 1.833 0.067 1 0 "[ ]" 1
2041 2 84 VAL HA 2 86 ILE H 2.800 . 3.800 2.143 2.143 2.143 . 0 0 "[ ]" 1
2042 2 86 ILE H 2 86 ILE HA 2.800 . 3.800 2.935 2.935 2.935 . 0 0 "[ ]" 1
2043 2 86 ILE H 2 86 ILE HB 4.000 . 6.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
2044 2 85 ALA MB 2 86 ILE H 2.800 . 3.800 3.245 3.245 3.245 . 0 0 "[ ]" 1
2045 2 86 ILE H 2 86 ILE HG13 3.100 . 4.300 2.626 2.626 2.626 . 0 0 "[ ]" 1
2046 2 86 ILE H 2 86 ILE MG 2.400 . 3.100 2.522 2.522 2.522 . 0 0 "[ ]" 1
2047 2 86 ILE H 2 105 VAL MG1 3.800 . 5.600 5.701 5.701 5.701 0.101 1 0 "[ ]" 1
2048 2 84 VAL HB 2 86 ILE H 4.300 . 6.000 5.472 5.472 5.472 . 0 0 "[ ]" 1
2049 2 31 THR H 2 32 GLY H 4.000 . 6.000 4.548 4.548 4.548 . 0 0 "[ ]" 1
2050 2 17 ALA H 2 31 THR H 4.000 . 6.000 4.621 4.621 4.621 . 0 0 "[ ]" 1
2051 2 30 SER HA 2 31 THR H 2.200 . 2.800 2.154 2.154 2.154 . 0 0 "[ ]" 1
2052 2 30 SER HB3 2 31 THR H 2.500 . 3.300 2.732 2.732 2.732 . 0 0 "[ ]" 1
2053 2 30 SER HB2 2 31 THR H 3.700 . 5.400 3.354 3.354 3.354 . 0 0 "[ ]" 1
2054 2 31 THR H 2 31 THR HA 2.500 . 3.300 2.714 2.714 2.714 . 0 0 "[ ]" 1
2055 2 18 ASP HB3 2 31 THR H 4.200 . 6.000 5.048 5.048 5.048 . 0 0 "[ ]" 1
2056 2 29 LEU HB3 2 31 THR H 2.600 . 6.000 5.381 5.381 5.381 . 0 0 "[ ]" 1
2057 2 31 THR H 2 31 THR MG 3.600 . 5.200 3.748 3.748 3.748 . 0 0 "[ ]" 1
2058 2 17 ALA HA 2 31 THR H 4.000 . 6.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
2059 2 51 LYS H 2 53 LYS H 3.000 . 6.000 5.361 5.361 5.361 . 0 0 "[ ]" 1
2060 2 50 MET H 2 53 LYS H 3.100 . 4.300 4.119 4.119 4.119 . 0 0 "[ ]" 1
2061 2 52 ALA HA 2 53 LYS H 3.100 . 4.300 3.542 3.542 3.542 . 0 0 "[ ]" 1
2062 2 51 LYS HA 2 53 LYS H 2.800 . 6.000 6.011 6.011 6.011 0.011 1 0 "[ ]" 1
2063 2 134 LYS QE 2 135 SER H 4.300 . 6.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
2064 2 48 CYS HB2 2 53 LYS H 3.400 . 6.000 5.956 5.956 5.956 . 0 0 "[ ]" 1
2065 2 50 MET HB3 2 53 LYS H 3.200 . 4.500 3.860 3.860 3.860 . 0 0 "[ ]" 1
2066 2 49 GLN HG2 2 53 LYS H 3.100 . 6.000 5.771 5.771 5.771 . 0 0 "[ ]" 1
2067 2 50 MET HB2 2 53 LYS H 2.400 . 3.100 2.423 2.423 2.423 . 0 0 "[ ]" 1
2068 2 52 ALA MB 2 53 LYS H 2.400 . 3.100 1.923 1.923 1.923 . 0 0 "[ ]" 1
2069 2 50 MET HG2 2 53 LYS H 3.000 . 6.000 6.040 6.040 6.040 0.040 1 0 "[ ]" 1
2070 2 94 GLY H 2 96 GLU H 4.700 . 6.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
2071 2 91 ALA H 2 96 GLU H 4.700 . 6.000 5.040 5.040 5.040 . 0 0 "[ ]" 1
2072 2 95 ASP H 2 96 GLU H 2.500 . 3.100 2.740 2.740 2.740 . 0 0 "[ ]" 1
2073 2 93 GLU H 2 96 GLU H 4.100 . 6.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
2074 2 96 GLU H 2 96 GLU HA 2.800 . 3.800 2.791 2.791 2.791 . 0 0 "[ ]" 1
2075 2 95 ASP HA 2 96 GLU H 3.300 . 4.700 3.565 3.565 3.565 . 0 0 "[ ]" 1
2076 2 96 GLU H 2 125 GLY QA 3.600 . 5.200 4.931 4.931 4.931 . 0 0 "[ ]" 1
2077 2 95 ASP HB3 2 96 GLU H 4.100 . 6.000 3.961 3.961 3.961 . 0 0 "[ ]" 1
2078 2 95 ASP HB2 2 96 GLU H 3.500 . 5.000 2.592 2.592 2.592 . 0 0 "[ ]" 1
2079 2 96 GLU H 2 96 GLU HB3 2.700 . 3.600 3.561 3.561 3.561 . 0 0 "[ ]" 1
2080 2 96 GLU H 2 96 GLU HB2 2.700 . 3.600 2.776 2.776 2.776 . 0 0 "[ ]" 1
2081 2 98 SER H 2 98 SER HA 2.800 . 3.700 2.926 2.926 2.926 . 0 0 "[ ]" 1
2082 2 97 VAL HA 2 98 SER H 2.100 . 2.600 2.636 2.636 2.636 0.036 1 0 "[ ]" 1
2083 2 98 SER H 2 98 SER HB2 3.000 . 4.100 3.830 3.830 3.830 . 0 0 "[ ]" 1
2084 2 98 SER H 2 98 SER HB3 2.800 . 3.800 2.734 2.734 2.734 . 0 0 "[ ]" 1
2085 2 97 VAL HB 2 98 SER H 3.600 . 5.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
2086 2 91 ALA MB 2 98 SER H 3.200 . 4.500 3.563 3.563 3.563 . 0 0 "[ ]" 1
2087 2 90 THR MG 2 98 SER H 4.400 . 6.000 6.005 6.005 6.005 0.005 1 0 "[ ]" 1
2088 2 98 SER H 2 123 VAL MG2 4.300 . 6.000 6.045 6.045 6.045 0.045 1 0 "[ ]" 1
2089 2 97 VAL MG1 2 98 SER H 2.300 . 3.000 1.880 1.880 1.880 . 0 0 "[ ]" 1
2090 2 98 SER H 2 118 ILE MG 5.100 . 6.000 6.224 6.224 6.224 0.224 1 0 "[ ]" 1
2091 2 53 LYS H 2 54 ARG H 3.900 . 5.800 4.472 4.472 4.472 . 0 0 "[ ]" 1
2092 2 53 LYS H 2 53 LYS HA 2.600 . 3.400 2.949 2.949 2.949 . 0 0 "[ ]" 1
2093 2 53 LYS H 2 53 LYS QE 3.800 . 5.600 5.240 5.240 5.240 . 0 0 "[ ]" 1
2094 2 109 HIS H 2 117 VAL H 3.300 . 4.700 3.857 3.857 3.857 . 0 0 "[ ]" 1
2095 2 109 HIS H 2 118 ILE HA 4.100 . 6.000 4.674 4.674 4.674 . 0 0 "[ ]" 1
2096 2 108 ILE HA 2 109 HIS H 3.400 . 4.900 3.399 3.399 3.399 . 0 0 "[ ]" 1
2097 2 107 VAL HA 2 109 HIS H 3.500 . 5.100 3.736 3.736 3.736 . 0 0 "[ ]" 1
2098 2 109 HIS H 2 109 HIS HB3 3.200 . 4.500 3.128 3.128 3.128 . 0 0 "[ ]" 1
2099 2 109 HIS H 2 116 TRP QB 4.100 . 6.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
2100 2 109 HIS H 2 109 HIS HB2 3.100 . 4.300 3.412 3.412 3.412 . 0 0 "[ ]" 1
2101 2 107 VAL HB 2 109 HIS H 3.300 . 4.700 4.128 4.128 4.128 . 0 0 "[ ]" 1
2102 2 108 ILE HB 2 109 HIS H 2.700 . 3.600 3.142 3.142 3.142 . 0 0 "[ ]" 1
2103 2 108 ILE HG13 2 109 HIS H 4.300 . 6.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
2104 2 108 ILE HG12 2 109 HIS H 4.100 . 6.000 4.029 4.029 4.029 . 0 0 "[ ]" 1
2105 2 109 HIS H 2 117 VAL MG1 3.500 . 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
2106 2 109 HIS H 2 117 VAL MG2 3.200 . 4.500 1.895 1.895 1.895 0.005 1 0 "[ ]" 1
2107 2 108 ILE MG 2 109 HIS H 3.800 . 5.600 4.006 4.006 4.006 . 0 0 "[ ]" 1
2108 2 109 HIS H 2 110 LYS HG3 2.800 . 3.800 3.788 3.788 3.788 . 0 0 "[ ]" 1
2109 2 62 LEU H 2 63 GLU H 4.300 . 6.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
2110 2 62 LEU H 2 62 LEU HA 2.800 . 3.700 2.848 2.848 2.848 . 0 0 "[ ]" 1
2111 2 15 ALA HA 2 62 LEU H 4.100 . 6.000 5.040 5.040 5.040 . 0 0 "[ ]" 1
2112 2 61 PHE HB3 2 62 LEU H 3.600 . 5.300 3.525 3.525 3.525 . 0 0 "[ ]" 1
2113 2 61 PHE HB2 2 62 LEU H 3.500 . 5.100 3.136 3.136 3.136 . 0 0 "[ ]" 1
2114 2 59 ALA MB 2 62 LEU H 4.700 . 6.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
2115 2 16 ILE H 2 62 LEU H 4.200 . 6.000 5.631 5.631 5.631 . 0 0 "[ ]" 1
2116 2 61 PHE QD 2 62 LEU H 2.700 . 6.000 4.725 4.725 4.725 . 0 0 "[ ]" 1
2117 2 61 PHE HA 2 62 LEU H 3.100 . 4.300 3.467 3.467 3.467 . 0 0 "[ ]" 1
2118 2 60 SER HA 2 62 LEU H 3.300 . 4.700 4.110 4.110 4.110 . 0 0 "[ ]" 1
2119 2 62 LEU H 2 62 LEU HB3 3.100 . 4.300 3.300 3.300 3.300 . 0 0 "[ ]" 1
2120 2 62 LEU H 2 62 LEU HB2 2.200 . 6.000 2.069 2.069 2.069 . 0 0 "[ ]" 1
2121 2 62 LEU H 2 62 LEU MD1 4.000 . 6.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
2122 2 15 ALA H 2 35 VAL H 4.200 . 6.000 4.984 4.984 4.984 . 0 0 "[ ]" 1
2123 2 13 TYR HB2 2 35 VAL H 3.800 . 5.600 3.562 3.562 3.562 . 0 0 "[ ]" 1
2124 2 14 ARG HB2 2 35 VAL H 4.400 . 6.000 5.401 5.401 5.401 . 0 0 "[ ]" 1
2125 2 35 VAL H 2 65 LEU MD2 3.000 . 4.100 4.142 4.142 4.142 0.042 1 0 "[ ]" 1
2126 2 35 VAL H 2 36 GLU H 4.300 . 6.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
2127 2 12 THR HA 2 35 VAL H 3.400 . 4.800 4.381 4.381 4.381 . 0 0 "[ ]" 1
2128 2 34 VAL HA 2 35 VAL H 2.200 . 2.800 2.224 2.224 2.224 . 0 0 "[ ]" 1
2129 2 35 VAL H 2 35 VAL HB 3.200 . 4.400 3.763 3.763 3.763 . 0 0 "[ ]" 1
2130 2 14 ARG HG2 2 35 VAL H 4.800 . 6.000 4.989 4.989 4.989 . 0 0 "[ ]" 1
2131 2 12 THR MG 2 35 VAL H 3.900 . 5.800 5.181 5.181 5.181 . 0 0 "[ ]" 1
2132 2 35 VAL H 2 35 VAL QG 2.500 . 3.300 1.870 1.870 1.870 . 0 0 "[ ]" 1
2133 2 35 VAL H 2 62 LEU MD1 4.200 . 6.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
2134 2 35 VAL H 2 36 GLU H 2.900 . 4.000 3.450 3.450 3.450 . 0 0 "[ ]" 1
2135 2 12 THR HA 2 36 GLU H 4.800 . 6.000 4.927 4.927 4.927 . 0 0 "[ ]" 1
2136 2 36 GLU H 2 48 CYS HA 4.300 . 6.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
2137 2 35 VAL HA 2 36 GLU H 2.300 . 2.900 2.181 2.181 2.181 . 0 0 "[ ]" 1
2138 2 36 GLU H 2 50 MET HA 3.900 . 5.800 3.648 3.648 3.648 . 0 0 "[ ]" 1
2139 2 36 GLU H 2 50 MET HG3 3.900 . 5.800 4.914 4.914 4.914 . 0 0 "[ ]" 1
2140 2 36 GLU H 2 50 MET HG2 4.100 . 6.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
2141 2 36 GLU H 2 36 GLU HG3 3.300 . 4.700 3.776 3.776 3.776 . 0 0 "[ ]" 1
2142 2 35 VAL HB 2 36 GLU H 2.800 . 3.800 3.144 3.144 3.144 . 0 0 "[ ]" 1
2143 2 10 LEU HB3 2 36 GLU H 4.500 . 6.000 5.329 5.329 5.329 . 0 0 "[ ]" 1
2144 2 12 THR MG 2 36 GLU H 4.200 . 6.000 5.088 5.088 5.088 . 0 0 "[ ]" 1
2145 2 35 VAL MG2 2 36 GLU H 3.000 . 4.100 4.024 4.024 4.024 . 0 0 "[ ]" 1
2146 2 122 ASP H 2 122 ASP HA 2.400 . 3.100 2.272 2.272 2.272 . 0 0 "[ ]" 1
2147 2 122 ASP H 2 123 VAL HA 5.000 . 6.000 5.243 5.243 5.243 . 0 0 "[ ]" 1
2148 2 121 ASP HB3 2 122 ASP H 2.500 . 6.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
2149 2 77 ASN H 2 110 LYS HA 4.300 . 6.000 4.788 4.788 4.788 . 0 0 "[ ]" 1
2150 2 119 ARG QG 2 122 ASP H 3.400 . 4.900 2.346 2.346 2.346 . 0 0 "[ ]" 1
2151 2 77 ASN H 2 109 HIS HA 3.600 . 5.200 3.583 3.583 3.583 . 0 0 "[ ]" 1
2152 2 77 ASN H 2 77 ASN HA 2.800 . 3.800 2.944 2.944 2.944 . 0 0 "[ ]" 1
2153 2 76 PRO HA 2 77 ASN H 2.100 . 2.700 2.274 2.274 2.274 . 0 0 "[ ]" 1
2154 2 76 PRO HD2 2 77 ASN H 5.100 . 6.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
2155 2 77 ASN H 2 77 ASN HB2 2.700 . 3.600 2.299 2.299 2.299 . 0 0 "[ ]" 1
2156 2 77 ASN H 2 111 LEU HB2 3.700 . 6.000 5.615 5.615 5.615 . 0 0 "[ ]" 1
2157 2 77 ASN H 2 110 LYS QD 3.000 . 4.100 4.189 4.189 4.189 0.089 1 0 "[ ]" 1
2158 2 76 PRO HB2 2 77 ASN H 3.500 . 5.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
2159 2 77 ASN H 2 109 HIS HD2 4.900 . 6.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
2160 2 77 ASN H 2 108 ILE MG 3.800 . 5.600 4.780 4.780 4.780 . 0 0 "[ ]" 1
2161 2 117 VAL H 2 118 ILE H 4.400 . 6.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
2162 2 69 ASP H 2 69 ASP HA 2.500 . 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 1
2163 2 68 PRO HA 2 69 ASP H 2.300 . 6.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
2164 2 68 PRO QD 2 69 ASP H 2.800 . 3.800 2.797 2.797 2.797 . 0 0 "[ ]" 1
2165 2 69 ASP H 2 69 ASP HB3 2.800 . 3.800 3.589 3.589 3.589 . 0 0 "[ ]" 1
2166 2 69 ASP H 2 69 ASP HB2 2.400 . 4.100 2.424 2.424 2.424 . 0 0 "[ ]" 1
2167 2 68 PRO HB3 2 69 ASP H 3.300 . 4.600 4.062 4.062 4.062 . 0 0 "[ ]" 1
2168 2 68 PRO HB2 2 69 ASP H 2.700 . 3.600 2.897 2.897 2.897 . 0 0 "[ ]" 1
2169 1 15 ARG H 2 115 TRP HE1 4.200 . 6.000 4.293 4.293 4.293 . 0 0 "[ ]" 1
2170 1 15 ARG H 2 115 TRP HD1 4.400 . 6.000 5.186 5.186 5.186 . 0 0 "[ ]" 1
2171 1 14 PRO HA 1 15 ARG H 2.500 . 3.300 2.221 2.221 2.221 . 0 0 "[ ]" 1
2172 1 15 ARG H 1 16 PRO HD2 4.700 . 6.000 5.138 5.138 5.138 . 0 0 "[ ]" 1
2173 1 14 PRO HB3 1 15 ARG H 3.300 . 4.600 3.617 3.617 3.617 . 0 0 "[ ]" 1
2174 1 14 PRO HB2 1 15 ARG H 3.200 . 4.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
2175 1 15 ARG H 1 15 ARG HD3 4.200 . 6.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
2176 1 15 ARG H 1 15 ARG HB3 3.400 . 4.800 3.585 3.585 3.585 . 0 0 "[ ]" 1
2177 1 15 ARG H 1 15 ARG HB2 2.800 . 3.800 2.598 2.598 2.598 . 0 0 "[ ]" 1
2178 1 15 ARG H 1 15 ARG HD2 3.200 . 4.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
2179 1 15 ARG H 1 15 ARG HG2 3.200 . 4.500 2.217 2.217 2.217 . 0 0 "[ ]" 1
2180 2 109 HIS H 2 109 HIS HD2 4.600 . 6.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
2181 2 119 ARG HA 2 119 ARG HE 5.000 . 6.000 5.594 5.594 5.594 . 0 0 "[ ]" 1
2182 2 119 ARG HE 2 122 ASP HA 4.100 . 6.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
2183 2 119 ARG HE 2 124 THR HB 4.300 . 6.000 6.016 6.016 6.016 0.016 1 0 "[ ]" 1
2184 2 119 ARG HD2 2 119 ARG HE 2.600 . 3.400 2.304 2.304 2.304 . 0 0 "[ ]" 1
2185 2 119 ARG HD3 2 119 ARG HE 2.800 . 3.800 2.893 2.893 2.893 . 0 0 "[ ]" 1
2186 2 106 GLU HG3 2 119 ARG HE 3.800 . 5.600 5.627 5.627 5.627 0.027 1 0 "[ ]" 1
2187 2 106 GLU HB2 2 119 ARG HE 3.200 . 4.500 3.958 3.958 3.958 . 0 0 "[ ]" 1
2188 2 106 GLU HB3 2 119 ARG HE 4.200 . 6.000 3.432 3.432 3.432 . 0 0 "[ ]" 1
2189 2 119 ARG HB2 2 119 ARG HE 2.500 . 3.300 2.846 2.846 2.846 . 0 0 "[ ]" 1
2190 2 108 ILE HG12 2 119 ARG HE 4.700 . 6.000 3.639 3.639 3.639 . 0 0 "[ ]" 1
2191 2 108 ILE MD 2 119 ARG HE 3.400 . 4.800 1.998 1.998 1.998 0.002 1 0 "[ ]" 1
2192 2 108 ILE MG 2 119 ARG HE 5.000 . 6.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
2193 2 117 VAL H 2 117 VAL HA 3.000 . 4.100 2.917 2.917 2.917 . 0 0 "[ ]" 1
2194 2 107 VAL MG1 2 117 VAL H 3.500 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
2195 2 116 TRP HD1 2 117 VAL H 4.300 . 6.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
2196 2 116 TRP HA 2 117 VAL H 2.400 . 3.100 2.434 2.434 2.434 . 0 0 "[ ]" 1
2197 2 109 HIS HB3 2 117 VAL H 3.800 . 5.600 3.774 3.774 3.774 . 0 0 "[ ]" 1
2198 2 116 TRP HB2 2 117 VAL H 3.500 . 5.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
2199 2 109 HIS HB2 2 117 VAL H 5.000 . 6.000 5.378 5.378 5.378 . 0 0 "[ ]" 1
2200 2 117 VAL H 2 117 VAL HB 3.400 . 4.800 3.630 3.630 3.630 . 0 0 "[ ]" 1
2201 2 110 LYS HD2 2 117 VAL H 3.100 . 6.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
2202 2 111 LEU MD1 2 117 VAL H 3.400 . 4.900 2.621 2.621 2.621 . 0 0 "[ ]" 1
2203 2 117 VAL H 2 117 VAL MG1 2.500 . 3.300 1.903 1.903 1.903 . 0 0 "[ ]" 1
2204 2 108 ILE MG 2 117 VAL H 3.800 . 5.600 4.453 4.453 4.453 . 0 0 "[ ]" 1
2205 2 117 VAL H 2 125 GLY H 3.700 . 6.500 6.377 6.377 6.377 . 0 0 "[ ]" 1
2206 2 108 ILE HB 2 117 VAL H 5.200 . 6.000 5.642 5.642 5.642 . 0 0 "[ ]" 1
2207 2 83 TYR H 2 106 GLU H 3.800 . 5.600 4.035 4.035 4.035 . 0 0 "[ ]" 1
2208 2 106 GLU H 2 118 ILE HA 4.300 . 6.000 4.891 4.891 4.891 . 0 0 "[ ]" 1
2209 2 82 PRO HA 2 106 GLU H 2.900 . 3.900 2.929 2.929 2.929 . 0 0 "[ ]" 1
2210 2 105 VAL HA 2 106 GLU H 2.400 . 3.100 2.479 2.479 2.479 . 0 0 "[ ]" 1
2211 2 106 GLU H 2 106 GLU HG3 3.500 . 5.100 4.470 4.470 4.470 . 0 0 "[ ]" 1
2212 2 105 VAL HB 2 106 GLU H 2.200 . 2.800 2.498 2.498 2.498 . 0 0 "[ ]" 1
2213 2 106 GLU H 2 120 LYS HB3 4.600 . 6.000 5.782 5.782 5.782 . 0 0 "[ ]" 1
2214 2 106 GLU H 2 106 GLU HB3 3.100 . 4.300 3.132 3.132 3.132 . 0 0 "[ ]" 1
2215 2 106 GLU H 2 119 ARG HB2 3.800 . 5.600 4.085 4.085 4.085 . 0 0 "[ ]" 1
2216 2 106 GLU H 2 108 ILE HG12 4.900 . 6.000 5.049 5.049 5.049 . 0 0 "[ ]" 1
2217 2 97 VAL MG1 2 106 GLU H 4.600 . 6.000 6.130 6.130 6.130 0.130 1 0 "[ ]" 1
2218 2 106 GLU H 2 108 ILE MD 3.300 . 4.700 4.632 4.632 4.632 . 0 0 "[ ]" 1
2219 2 105 VAL MG1 2 106 GLU H 3.800 . 5.600 3.684 3.684 3.684 . 0 0 "[ ]" 1
2220 2 98 SER H 2 106 GLU H 4.400 . 6.000 5.675 5.675 5.675 . 0 0 "[ ]" 1
2221 2 106 GLU H 2 107 VAL HA 4.400 . 6.000 4.854 4.854 4.854 . 0 0 "[ ]" 1
2222 2 101 GLU H 2 102 GLY HA2 4.200 . 6.000 5.968 5.968 5.968 . 0 0 "[ ]" 1
2223 1 21 ARG H 1 21 ARG HG2 2.900 . 3.900 2.330 2.330 2.330 . 0 0 "[ ]" 1
2224 1 20 ALA MB 1 21 ARG H 3.000 . 4.100 2.650 2.650 2.650 . 0 0 "[ ]" 1
2225 1 20 ALA MB 2 16 ILE H 4.600 . 6.000 6.088 6.088 6.088 0.088 1 0 "[ ]" 1
2226 2 29 LEU H 2 29 LEU HA 3.000 . 4.100 2.946 2.946 2.946 . 0 0 "[ ]" 1
2227 2 18 ASP HA 2 29 LEU H 3.900 . 5.800 4.421 4.421 4.421 . 0 0 "[ ]" 1
2228 2 28 ALA HA 2 29 LEU H 2.200 . 2.800 2.184 2.184 2.184 . 0 0 "[ ]" 1
2229 2 19 TYR HB2 2 29 LEU H 3.700 . 5.400 5.327 5.327 5.327 . 0 0 "[ ]" 1
2230 2 20 GLU HB3 2 29 LEU H 3.300 . 4.700 4.473 4.473 4.473 . 0 0 "[ ]" 1
2231 2 28 ALA MB 2 29 LEU H 2.800 . 3.800 2.957 2.957 2.957 . 0 0 "[ ]" 1
2232 2 101 GLU H 2 103 GLU HG3 5.300 . 6.000 5.480 5.480 5.480 . 0 0 "[ ]" 1
2233 2 101 GLU H 2 102 GLY H 3.800 . 5.600 3.997 3.997 3.997 . 0 0 "[ ]" 1
2234 2 89 TYR H 2 101 GLU H 3.100 . 6.000 5.203 5.203 5.203 . 0 0 "[ ]" 1
2235 2 88 ALA HA 2 101 GLU H 2.200 . 3.800 2.600 2.600 2.600 . 0 0 "[ ]" 1
2236 2 87 LYS HA 2 101 GLU H 4.500 . 6.000 5.865 5.865 5.865 . 0 0 "[ ]" 1
2237 2 101 GLU H 2 101 GLU HA 2.600 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
2238 2 101 GLU H 2 101 GLU QG 3.700 . 5.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
2239 2 100 LEU HG 2 101 GLU H 3.600 . 5.200 3.958 3.958 3.958 . 0 0 "[ ]" 1
2240 2 88 ALA MB 2 101 GLU H 2.100 . 2.600 1.973 1.973 1.973 . 0 0 "[ ]" 1
2241 2 100 LEU MD1 2 101 GLU H 2.700 . 3.600 1.997 1.997 1.997 . 0 0 "[ ]" 1
2242 2 124 THR H 2 125 GLY H 4.300 . 6.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
2243 2 124 THR H 2 124 THR HA 2.700 . 3.600 2.821 2.821 2.821 . 0 0 "[ ]" 1
2244 2 119 ARG HA 2 124 THR H 4.200 . 6.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
2245 2 123 VAL HA 2 124 THR H 2.000 . 2.500 2.373 2.373 2.373 . 0 0 "[ ]" 1
2246 2 124 THR H 2 124 THR HB 3.000 . 4.100 3.576 3.576 3.576 . 0 0 "[ ]" 1
2247 2 123 VAL HB 2 124 THR H 3.400 . 4.800 4.467 4.467 4.467 . 0 0 "[ ]" 1
2248 2 108 ILE HG12 2 124 THR H 2.400 . 6.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
2249 2 26 GLU HB3 2 27 MET H 3.000 . 4.100 1.895 1.895 1.895 0.005 1 0 "[ ]" 1
2250 2 27 MET H 2 27 MET HG3 4.300 . 6.000 3.050 3.050 3.050 . 0 0 "[ ]" 1
2251 2 27 MET H 2 57 ILE MG 3.300 . 4.700 3.248 3.248 3.248 . 0 0 "[ ]" 1
2252 2 27 MET H 2 56 TRP H 3.800 . 5.600 3.380 3.380 3.380 . 0 0 "[ ]" 1
2253 2 26 GLU HA 2 27 MET H 3.000 . 4.100 2.781 2.781 2.781 . 0 0 "[ ]" 1
2254 2 27 MET H 2 55 GLY HA3 4.000 . 6.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
2255 2 26 GLU HB2 2 27 MET H 4.000 . 6.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
2256 2 27 MET H 2 27 MET HB3 3.000 . 4.100 3.529 3.529 3.529 . 0 0 "[ ]" 1
2257 2 27 MET H 2 27 MET HB2 3.700 . 5.400 3.805 3.805 3.805 . 0 0 "[ ]" 1
2258 1 19 GLU H 1 21 ARG H 4.600 . 6.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
2259 1 20 ALA HA 1 21 ARG H 2.800 . 3.700 3.527 3.527 3.527 . 0 0 "[ ]" 1
2260 1 21 ARG H 1 21 ARG HA 2.700 . 3.600 2.884 2.884 2.884 . 0 0 "[ ]" 1
2261 1 18 ALA HA 1 21 ARG H 3.700 . 5.400 3.372 3.372 3.372 . 0 0 "[ ]" 1
2262 1 21 ARG H 1 22 LYS QD 2.800 . 6.000 5.847 5.847 5.847 . 0 0 "[ ]" 1
2263 1 21 ARG H 1 21 ARG HD3 3.700 . 5.400 3.981 3.981 3.981 . 0 0 "[ ]" 1
2264 1 11 ASN H 1 11 ASN HD21 3.700 . 5.400 4.206 4.206 4.206 . 0 0 "[ ]" 1
2265 2 118 ILE H 2 126 TYR H 4.000 . 6.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
2266 2 126 TYR H 2 126 TYR QD 3.200 . 4.400 3.402 3.402 3.402 . 0 0 "[ ]" 1
2267 2 126 TYR H 2 126 TYR HA 3.000 . 4.200 2.940 2.940 2.940 . 0 0 "[ ]" 1
2268 2 96 GLU HA 2 126 TYR H 2.400 . 3.100 1.743 1.743 1.743 . 0 0 "[ ]" 1
2269 2 125 GLY QA 2 126 TYR H 2.500 . 3.300 2.286 2.286 2.286 . 0 0 "[ ]" 1
2270 2 126 TYR H 2 126 TYR HB3 3.800 . 5.600 3.522 3.522 3.522 . 0 0 "[ ]" 1
2271 2 126 TYR H 2 126 TYR HB2 2.700 . 3.600 2.332 2.332 2.332 . 0 0 "[ ]" 1
2272 2 96 GLU HB3 2 126 TYR H 4.800 . 6.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
2273 2 96 GLU HB2 2 126 TYR H 4.900 . 6.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
2274 2 97 VAL MG2 2 126 TYR H 3.200 . 4.500 2.087 2.087 2.087 . 0 0 "[ ]" 1
2275 2 16 ILE H 2 62 LEU HA 3.400 . 4.900 3.810 3.810 3.810 . 0 0 "[ ]" 1
2276 2 14 ARG QD 2 16 ILE H 4.400 . 6.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
2277 2 16 ILE H 2 31 THR HA 4.100 . 6.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
2278 2 16 ILE H 2 63 GLU HG3 4.700 . 6.000 5.453 5.453 5.453 . 0 0 "[ ]" 1
2279 2 15 ALA HA 2 16 ILE H 2.300 . 2.900 2.424 2.424 2.424 . 0 0 "[ ]" 1
2280 2 16 ILE H 2 16 ILE HA 3.100 . 4.300 2.652 2.652 2.652 . 0 0 "[ ]" 1
2281 2 16 ILE H 2 61 PHE HA 4.400 . 6.000 4.954 4.954 4.954 . 0 0 "[ ]" 1
2282 2 16 ILE H 2 16 ILE HB 3.400 . 4.900 3.790 3.790 3.790 . 0 0 "[ ]" 1
2283 2 29 LEU H 2 29 LEU HB3 2.600 . 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 1
2284 2 50 MET H 2 54 ARG H 4.500 . 6.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
2285 2 53 LYS H 2 54 ARG H 3.500 . 5.000 3.913 3.913 3.913 . 0 0 "[ ]" 1
2286 2 49 GLN HA 2 54 ARG H 2.800 . 3.800 2.883 2.883 2.883 . 0 0 "[ ]" 1
2287 2 53 LYS HA 2 54 ARG H 2.000 . 2.500 2.468 2.468 2.468 . 0 0 "[ ]" 1
2288 2 54 ARG H 2 54 ARG HD3 4.800 . 6.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
2289 2 53 LYS HE3 2 54 ARG H 3.700 . 5.400 3.975 3.975 3.975 . 0 0 "[ ]" 1
2290 2 53 LYS QB 2 54 ARG H 2.500 . 3.300 2.822 2.822 2.822 . 0 0 "[ ]" 1
2291 2 54 ARG H 2 54 ARG HB3 3.500 . 5.100 2.971 2.971 2.971 . 0 0 "[ ]" 1
2292 2 54 ARG H 2 54 ARG QG 2.400 . 3.100 2.036 2.036 2.036 . 0 0 "[ ]" 1
2293 2 65 LEU HB3 2 66 ASP H 2.400 . 3.100 2.787 2.787 2.787 . 0 0 "[ ]" 1
2294 2 13 TYR QD 2 66 ASP H 2.900 . 6.000 5.196 5.196 5.196 . 0 0 "[ ]" 1
2295 2 13 TYR HA 2 66 ASP H 4.900 . 6.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
2296 2 65 LEU HA 2 66 ASP H 2.600 . 3.400 3.463 3.463 3.463 0.063 1 0 "[ ]" 1
2297 2 12 THR HB 2 66 ASP H 3.600 . 5.200 4.461 4.461 4.461 . 0 0 "[ ]" 1
2298 2 64 PRO HA 2 66 ASP H 3.500 . 5.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
2299 2 66 ASP H 2 66 ASP HB3 2.800 . 3.800 3.681 3.681 3.681 . 0 0 "[ ]" 1
2300 2 66 ASP H 2 66 ASP HB2 2.800 . 3.800 3.176 3.176 3.176 . 0 0 "[ ]" 1
2301 2 64 PRO HB2 2 66 ASP H 3.500 . 5.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
2302 2 64 PRO HB3 2 66 ASP H 2.700 . 3.600 3.650 3.650 3.650 0.050 1 0 "[ ]" 1
2303 2 65 LEU HB2 2 66 ASP H 3.200 . 4.500 4.136 4.136 4.136 . 0 0 "[ ]" 1
2304 2 65 LEU MD1 2 66 ASP H 2.700 . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
2305 2 26 GLU HG2 2 27 MET H 4.000 . 6.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
2306 1 7 GLN HE22 1 11 ASN H 3.000 . 6.000 5.989 5.989 5.989 . 0 0 "[ ]" 1
2307 1 11 ASN H 1 12 PRO HD2 4.200 . 6.000 5.019 5.019 5.019 . 0 0 "[ ]" 1
2308 1 9 PRO HB2 1 11 ASN H 3.000 . 4.100 2.553 2.553 2.553 . 0 0 "[ ]" 1
2309 1 10 SER H 1 11 ASN H 2.700 . 3.600 2.596 2.596 2.596 . 0 0 "[ ]" 1
2310 1 11 ASN H 1 11 ASN HD22 4.000 . 6.000 4.118 4.118 4.118 . 0 0 "[ ]" 1
2311 1 11 ASN H 1 11 ASN HA 2.900 . 3.900 2.934 2.934 2.934 . 0 0 "[ ]" 1
2312 1 10 SER HA 1 11 ASN H 3.000 . 4.100 3.263 3.263 3.263 . 0 0 "[ ]" 1
2313 1 9 PRO HA 1 11 ASN H 3.000 . 4.100 3.548 3.548 3.548 . 0 0 "[ ]" 1
2314 1 11 ASN H 1 11 ASN QB 2.800 . 3.800 3.170 3.170 3.170 . 0 0 "[ ]" 1
2315 2 86 ILE HG13 2 131 TYR H 4.700 . 6.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
2316 2 130 MET H 2 131 TYR H 2.800 . 3.800 2.627 2.627 2.627 . 0 0 "[ ]" 1
2317 2 131 TYR H 2 131 TYR QD 3.100 . 4.300 2.271 2.271 2.271 . 0 0 "[ ]" 1
2318 2 131 TYR H 2 132 LEU HA 4.300 . 6.000 5.480 5.480 5.480 . 0 0 "[ ]" 1
2319 2 131 TYR H 2 131 TYR HA 2.700 . 3.600 2.720 2.720 2.720 . 0 0 "[ ]" 1
2320 2 131 TYR H 2 131 TYR HB3 3.200 . 4.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
2321 2 131 TYR H 2 131 TYR HB2 2.500 . 3.300 2.238 2.238 2.238 . 0 0 "[ ]" 1
2322 2 130 MET HG2 2 131 TYR H 4.500 . 6.000 1.916 1.916 1.916 . 0 0 "[ ]" 1
2323 2 130 MET HB2 2 131 TYR H 3.900 . 5.800 3.322 3.322 3.322 . 0 0 "[ ]" 1
2324 2 131 TYR H 2 132 LEU HB3 4.200 . 6.000 6.017 6.017 6.017 0.017 1 0 "[ ]" 1
2325 2 130 MET HB3 2 131 TYR H 4.300 . 6.000 4.033 4.033 4.033 . 0 0 "[ ]" 1
2326 2 86 ILE MD 2 131 TYR H 3.700 . 5.500 4.277 4.277 4.277 . 0 0 "[ ]" 1
2327 2 128 PRO HB2 2 131 TYR H 3.700 . 5.400 2.285 2.285 2.285 . 0 0 "[ ]" 1
2328 2 128 PRO HB3 2 131 TYR H 3.100 . 4.300 3.362 3.362 3.362 . 0 0 "[ ]" 1
2329 2 131 TYR H 2 131 TYR QE 4.800 . 6.000 4.610 4.610 4.610 . 0 0 "[ ]" 1
2330 2 4 ILE HA 2 5 THR H 2.600 . 3.400 2.175 2.175 2.175 . 0 0 "[ ]" 1
2331 2 4 ILE HB 2 5 THR H 3.800 . 5.600 4.031 4.031 4.031 . 0 0 "[ ]" 1
2332 2 4 ILE HG12 2 5 THR H 3.500 . 5.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
2333 2 4 ILE MD 2 5 THR H 4.000 . 6.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
2334 2 130 MET H 2 132 LEU H 3.700 . 5.400 4.196 4.196 4.196 . 0 0 "[ ]" 1
2335 2 38 VAL HA 2 39 GLU H 2.700 . 3.600 2.718 2.718 2.718 . 0 0 "[ ]" 1
2336 2 43 SER HA 2 130 MET H 3.400 . 4.800 3.539 3.539 3.539 . 0 0 "[ ]" 1
2337 2 128 PRO HA 2 130 MET H 4.200 . 6.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
2338 2 130 MET H 2 131 TYR HB2 4.600 . 6.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
2339 2 130 MET H 2 130 MET HB3 3.700 . 5.400 2.854 2.854 2.854 . 0 0 "[ ]" 1
2340 2 128 PRO HB3 2 130 MET H 4.000 . 6.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
2341 2 39 GLU H 2 48 CYS HB3 3.700 . 5.400 3.520 3.520 3.520 . 0 0 "[ ]" 1
2342 2 130 MET H 2 130 MET HG2 3.600 . 5.200 1.976 1.976 1.976 0.024 1 0 "[ ]" 1
2343 2 129 SER HB2 2 130 MET H 3.800 . 5.600 3.392 3.392 3.392 . 0 0 "[ ]" 1
2344 2 93 GLU H 2 93 GLU HA 2.900 . 4.000 2.927 2.927 2.927 . 0 0 "[ ]" 1
2345 2 91 ALA HA 2 93 GLU H 3.700 . 5.400 3.484 3.484 3.484 . 0 0 "[ ]" 1
2346 2 92 VAL HA 2 93 GLU H 3.100 . 4.300 3.351 3.351 3.351 . 0 0 "[ ]" 1
2347 2 93 GLU H 2 96 GLU HB3 3.500 . 5.000 4.242 4.242 4.242 . 0 0 "[ ]" 1
2348 2 92 VAL HB 2 93 GLU H 2.800 . 3.800 2.520 2.520 2.520 . 0 0 "[ ]" 1
2349 2 93 GLU H 2 93 GLU HG3 2.900 . 3.900 3.905 3.905 3.905 0.005 1 0 "[ ]" 1
2350 2 93 GLU H 2 93 GLU HB2 2.600 . 3.400 2.729 2.729 2.729 . 0 0 "[ ]" 1
2351 2 92 VAL MG1 2 93 GLU H 3.800 . 5.600 4.021 4.021 4.021 . 0 0 "[ ]" 1
2352 2 92 VAL MG2 2 93 GLU H 3.200 . 4.500 3.950 3.950 3.950 . 0 0 "[ ]" 1
2353 2 93 GLU H 2 95 ASP H 4.800 . 6.000 5.188 5.188 5.188 . 0 0 "[ ]" 1
2354 2 91 ALA MB 2 93 GLU H 3.100 . 4.300 3.134 3.134 3.134 . 0 0 "[ ]" 1
2355 1 21 ARG HE 1 21 ARG HG3 3.200 . 4.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
2356 1 18 ALA HA 1 21 ARG HE 2.900 . 6.000 3.089 3.089 3.089 . 0 0 "[ ]" 1
2357 1 21 ARG HE 1 21 ARG HG2 3.800 . 5.600 3.598 3.598 3.598 . 0 0 "[ ]" 1
2358 2 39 GLU H 2 40 LYS H 3.800 . 5.600 4.388 4.388 4.388 . 0 0 "[ ]" 1
2359 2 39 GLU H 2 47 PHE HB3 2.800 . 3.800 2.296 2.296 2.296 . 0 0 "[ ]" 1
2360 2 39 GLU H 2 48 CYS HA 4.100 . 6.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
2361 2 39 GLU H 2 39 GLU HA 2.900 . 3.900 2.927 2.927 2.927 . 0 0 "[ ]" 1
2362 2 37 VAL HA 2 39 GLU H 4.000 . 6.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
2363 2 38 VAL HB 2 39 GLU H 2.500 . 3.300 2.647 2.647 2.647 . 0 0 "[ ]" 1
2364 2 10 LEU MD1 2 39 GLU H 3.300 . 4.700 4.794 4.794 4.794 0.094 1 0 "[ ]" 1
2365 2 38 VAL MG1 2 39 GLU H 3.100 . 4.300 2.503 2.503 2.503 . 0 0 "[ ]" 1
2366 2 39 GLU H 2 47 PHE HB2 4.300 . 6.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
2367 2 37 VAL MG1 2 39 GLU H 3.200 . 6.000 2.560 2.560 2.560 . 0 0 "[ ]" 1
2368 2 95 ASP H 2 95 ASP HA 2.700 . 3.600 2.819 2.819 2.819 . 0 0 "[ ]" 1
2369 2 93 GLU HA 2 95 ASP H 4.700 . 6.000 4.513 4.513 4.513 . 0 0 "[ ]" 1
2370 2 94 GLY HA2 2 95 ASP H 3.300 . 4.600 3.555 3.555 3.555 . 0 0 "[ ]" 1
2371 2 94 GLY HA3 2 95 ASP H 3.500 . 5.000 2.813 2.813 2.813 . 0 0 "[ ]" 1
2372 2 95 ASP H 2 95 ASP HB2 2.700 . 3.600 3.070 3.070 3.070 . 0 0 "[ ]" 1
2373 2 93 GLU HG3 2 95 ASP H 3.900 . 5.800 5.466 5.466 5.466 . 0 0 "[ ]" 1
2374 2 94 GLY H 2 95 ASP H 2.800 . 3.800 2.792 2.792 2.792 . 0 0 "[ ]" 1
2375 2 95 ASP H 2 96 GLU HA 4.500 . 6.000 5.322 5.322 5.322 . 0 0 "[ ]" 1
2376 2 95 ASP H 2 95 ASP HB3 3.500 . 5.000 3.449 3.449 3.449 . 0 0 "[ ]" 1
2377 2 95 ASP H 2 96 GLU HB3 4.000 . 6.000 6.271 6.271 6.271 0.271 1 0 "[ ]" 1
2378 2 93 GLU HB2 2 95 ASP H 3.300 . 4.700 3.631 3.631 3.631 . 0 0 "[ ]" 1
2379 2 91 ALA MB 2 95 ASP H 4.100 . 6.000 5.996 5.996 5.996 . 0 0 "[ ]" 1
2380 2 84 VAL H 2 135 SER HA 4.800 . 6.000 5.509 5.509 5.509 . 0 0 "[ ]" 1
2381 2 84 VAL H 2 135 SER QB 3.600 . 5.200 3.024 3.024 3.024 . 0 0 "[ ]" 1
2382 2 84 VAL H 2 133 GLN HB3 4.100 . 6.000 4.018 4.018 4.018 . 0 0 "[ ]" 1
2383 2 84 VAL H 2 133 GLN HB2 4.400 . 6.000 5.228 5.228 5.228 . 0 0 "[ ]" 1
2384 2 83 TYR H 2 84 VAL H 3.800 . 5.600 4.096 4.096 4.096 . 0 0 "[ ]" 1
2385 2 83 TYR QD 2 84 VAL H 3.400 . 4.900 4.136 4.136 4.136 . 0 0 "[ ]" 1
2386 2 84 VAL H 2 132 LEU HA 4.300 . 6.000 5.087 5.087 5.087 . 0 0 "[ ]" 1
2387 2 83 TYR HA 2 84 VAL H 2.200 . 2.800 2.269 2.269 2.269 . 0 0 "[ ]" 1
2388 2 84 VAL H 2 133 GLN HA 3.900 . 5.800 5.025 5.025 5.025 . 0 0 "[ ]" 1
2389 2 83 TYR QB 2 84 VAL H 2.600 . 3.400 2.903 2.903 2.903 . 0 0 "[ ]" 1
2390 2 84 VAL H 2 84 VAL HB 2.700 . 3.600 3.619 3.619 3.619 0.019 1 0 "[ ]" 1
2391 2 84 VAL H 2 132 LEU HB3 3.800 . 5.600 4.997 4.997 4.997 . 0 0 "[ ]" 1
2392 2 84 VAL H 2 84 VAL MG2 2.600 . 3.400 1.803 1.803 1.803 . 0 0 "[ ]" 1
2393 2 84 VAL H 2 105 VAL MG1 3.600 . 5.200 4.283 4.283 4.283 . 0 0 "[ ]" 1
2394 2 41 SER H 2 57 ILE H 2.900 . 6.000 5.985 5.985 5.985 . 0 0 "[ ]" 1
2395 2 47 PHE HA 2 57 ILE H 4.400 . 6.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
2396 2 56 TRP HE3 2 57 ILE H 4.000 . 6.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
2397 2 56 TRP HA 2 57 ILE H 2.500 . 3.300 2.167 2.167 2.167 . 0 0 "[ ]" 1
2398 2 46 TRP QB 2 57 ILE H 4.100 . 6.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
2399 2 56 TRP HB2 2 57 ILE H 3.600 . 5.200 4.249 4.249 4.249 . 0 0 "[ ]" 1
2400 2 57 ILE H 2 57 ILE HB 3.900 . 5.800 3.504 3.504 3.504 . 0 0 "[ ]" 1
2401 2 57 ILE H 2 57 ILE HG13 3.100 . 4.300 2.055 2.055 2.055 . 0 0 "[ ]" 1
2402 2 29 LEU MD2 2 57 ILE H 4.200 . 6.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
2403 1 19 GLU H 1 19 GLU HA 2.700 . 3.600 2.790 2.790 2.790 . 0 0 "[ ]" 1
2404 1 19 GLU H 1 19 GLU HB3 2.700 . 3.600 2.996 2.996 2.996 . 0 0 "[ ]" 1
2405 1 17 PRO HB2 1 19 GLU H 2.500 . 3.300 2.708 2.708 2.708 . 0 0 "[ ]" 1
2406 1 19 GLU H 1 22 LYS QG 4.100 . 7.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
2407 1 18 ALA HA 1 19 GLU H 2.900 . 3.900 3.541 3.541 3.541 . 0 0 "[ ]" 1
2408 1 19 GLU H 1 19 GLU HG2 3.300 . 4.700 2.160 2.160 2.160 . 0 0 "[ ]" 1
2409 1 18 ALA MB 1 19 GLU H 2.900 . 3.900 2.613 2.613 2.613 . 0 0 "[ ]" 1
2410 2 15 ALA H 2 32 GLY H 3.700 . 5.400 3.651 3.651 3.651 . 0 0 "[ ]" 1
2411 2 17 ALA H 2 32 GLY H 3.000 . 6.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
2412 2 15 ALA HA 2 32 GLY H 4.400 . 6.000 4.929 4.929 4.929 . 0 0 "[ ]" 1
2413 2 32 GLY H 2 32 GLY HA2 3.000 . 4.100 2.398 2.398 2.398 . 0 0 "[ ]" 1
2414 2 16 ILE HA 2 32 GLY H 3.700 . 5.400 3.615 3.615 3.615 . 0 0 "[ ]" 1
2415 2 31 THR HB 2 32 GLY H 4.500 . 6.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
2416 2 32 GLY H 2 32 GLY HA3 2.600 . 3.400 2.941 2.941 2.941 . 0 0 "[ ]" 1
2417 2 31 THR HA 2 32 GLY H 2.200 . 2.800 2.165 2.165 2.165 . 0 0 "[ ]" 1
2418 2 15 ALA MB 2 32 GLY H 3.000 . 4.100 3.140 3.140 3.140 . 0 0 "[ ]" 1
2419 2 31 THR MG 2 32 GLY H 2.900 . 4.000 2.704 2.704 2.704 . 0 0 "[ ]" 1
2420 2 16 ILE MG 2 32 GLY H 4.100 . 6.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
2421 2 32 GLY H 2 33 ASP HB2 4.800 . 6.000 4.624 4.624 4.624 . 0 0 "[ ]" 1
2422 2 14 ARG HG2 2 32 GLY H 3.800 . 5.600 4.384 4.384 4.384 . 0 0 "[ ]" 1
2423 2 60 SER H 2 113 ASP H 4.300 . 6.000 5.031 5.031 5.031 . 0 0 "[ ]" 1
2424 2 113 ASP H 2 114 GLY H 2.800 . 3.800 2.748 2.748 2.748 . 0 0 "[ ]" 1
2425 2 113 ASP H 2 116 TRP HD1 4.100 . 6.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
2426 2 112 LEU HA 2 113 ASP H 3.100 . 4.300 3.311 3.311 3.311 . 0 0 "[ ]" 1
2427 2 113 ASP H 2 113 ASP HA 2.800 . 3.800 2.860 2.860 2.860 . 0 0 "[ ]" 1
2428 2 60 SER HB3 2 113 ASP H 4.400 . 6.000 4.946 4.946 4.946 . 0 0 "[ ]" 1
2429 2 113 ASP H 2 113 ASP HB3 3.000 . 4.100 2.887 2.887 2.887 . 0 0 "[ ]" 1
2430 2 113 ASP H 2 113 ASP HB2 3.100 . 4.300 3.567 3.567 3.567 . 0 0 "[ ]" 1
2431 2 111 LEU HB3 2 113 ASP H 4.300 . 6.000 3.313 3.313 3.313 . 0 0 "[ ]" 1
2432 2 112 LEU HB3 2 113 ASP H 2.900 . 4.900 3.622 3.622 3.622 . 0 0 "[ ]" 1
2433 2 111 LEU HB2 2 113 ASP H 2.500 . 6.000 2.178 2.178 2.178 . 0 0 "[ ]" 1
2434 2 111 LEU MD1 2 113 ASP H 3.500 . 5.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
2435 2 111 LEU MD2 2 113 ASP H 3.900 . 5.800 4.187 4.187 4.187 . 0 0 "[ ]" 1
2436 2 111 LEU H 2 113 ASP H 4.100 . 6.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
2437 2 113 ASP H 2 114 GLY HA3 5.000 . 6.000 5.292 5.292 5.292 . 0 0 "[ ]" 1
2438 2 111 LEU HG 2 113 ASP H 4.800 . 6.000 5.127 5.127 5.127 . 0 0 "[ ]" 1
2439 2 59 ALA MB 2 113 ASP H 3.900 . 5.800 4.587 4.587 4.587 . 0 0 "[ ]" 1
2440 2 22 THR H 2 23 SER H 3.100 . 4.300 2.041 2.041 2.041 . 0 0 "[ ]" 1
2441 2 22 THR HA 2 23 SER H 3.200 . 4.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
2442 2 23 SER H 2 23 SER QB 3.500 . 5.000 2.609 2.609 2.609 . 0 0 "[ ]" 1
2443 2 23 SER H 2 26 GLU HB3 3.900 . 5.800 5.324 5.324 5.324 . 0 0 "[ ]" 1
2444 2 23 SER H 2 26 GLU HB2 3.700 . 5.400 3.940 3.940 3.940 . 0 0 "[ ]" 1
2445 2 23 SER H 2 26 GLU HG2 4.900 . 6.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
2446 2 21 LYS HB3 2 23 SER H 4.300 . 6.000 3.170 3.170 3.170 . 0 0 "[ ]" 1
2447 2 21 LYS HB2 2 23 SER H 3.600 . 5.200 4.543 4.543 4.543 . 0 0 "[ ]" 1
2448 2 22 THR MG 2 23 SER H 3.800 . 5.600 2.085 2.085 2.085 . 0 0 "[ ]" 1
2449 2 36 GLU H 2 49 GLN H 2.900 . 4.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
2450 2 48 CYS HA 2 49 GLN H 2.300 . 2.900 2.233 2.233 2.233 . 0 0 "[ ]" 1
2451 2 49 GLN H 2 49 GLN HA 2.900 . 4.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
2452 2 48 CYS HB3 2 49 GLN H 2.900 . 3.900 2.916 2.916 2.916 . 0 0 "[ ]" 1
2453 2 49 GLN H 2 50 MET HG2 3.400 . 6.000 6.011 6.011 6.011 0.011 1 0 "[ ]" 1
2454 2 49 GLN H 2 49 GLN HB2 3.200 . 4.500 2.976 2.976 2.976 . 0 0 "[ ]" 1
2455 2 36 GLU HB3 2 49 GLN H 3.100 . 4.300 4.178 4.178 4.178 . 0 0 "[ ]" 1
2456 2 10 LEU HB3 2 49 GLN H 3.600 . 5.200 4.103 4.103 4.103 . 0 0 "[ ]" 1
2457 2 38 VAL MG1 2 49 GLN H 3.000 . 4.200 2.099 2.099 2.099 . 0 0 "[ ]" 1
2458 2 35 VAL HA 2 49 GLN H 4.200 . 6.000 5.144 5.144 5.144 . 0 0 "[ ]" 1
2459 2 37 VAL HA 2 49 GLN H 3.500 . 5.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
2460 2 49 GLN H 2 54 ARG HG3 4.800 . 6.000 6.090 6.090 6.090 0.090 1 0 "[ ]" 1
2461 2 70 GLU HA 2 71 THR H 2.000 . 6.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
2462 2 69 ASP HB3 2 71 THR H 4.000 . 6.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
2463 2 70 GLU HG2 2 71 THR H 3.300 . 4.700 4.688 4.688 4.688 . 0 0 "[ ]" 1
2464 2 70 GLU HB3 2 71 THR H 3.100 . 4.300 4.344 4.344 4.344 0.044 1 0 "[ ]" 1
2465 2 70 GLU HB2 2 71 THR H 3.300 . 4.600 4.233 4.233 4.233 . 0 0 "[ ]" 1
2466 2 69 ASP HA 2 71 THR H 3.700 . 5.400 4.568 4.568 4.568 . 0 0 "[ ]" 1
2467 2 71 THR H 2 71 THR HB 2.900 . 4.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
2468 2 71 THR H 2 71 THR MG 3.000 . 4.100 3.963 3.963 3.963 . 0 0 "[ ]" 1
2469 1 5 SER H 1 6 LYS HA 4.300 . 6.000 5.095 5.095 5.095 . 0 0 "[ ]" 1
2470 1 4 GLY QA 1 5 SER H 3.700 . 5.400 2.125 2.125 2.125 . 0 0 "[ ]" 1
2471 1 5 SER H 1 6 LYS H 4.100 . 6.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
2472 2 21 LYS H 2 22 THR H 3.600 . 5.200 2.038 2.038 2.038 . 0 0 "[ ]" 1
2473 2 21 LYS HA 2 22 THR H 3.200 . 4.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
2474 2 42 GLU HG2 2 43 SER H 5.000 . 6.000 4.725 4.725 4.725 . 0 0 "[ ]" 1
2475 2 43 SER H 2 44 GLY H 2.900 . 4.000 2.675 2.675 2.675 . 0 0 "[ ]" 1
2476 2 41 SER HA 2 43 SER H 4.700 . 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
2477 2 41 SER HB2 2 43 SER H 3.800 . 5.600 3.223 3.223 3.223 . 0 0 "[ ]" 1
2478 2 43 SER H 2 43 SER QB 2.800 . 3.800 2.811 2.811 2.811 . 0 0 "[ ]" 1
2479 2 43 SER H 2 43 SER HA 2.900 . 4.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
2480 2 42 GLU QB 2 43 SER H 3.600 . 5.200 3.176 3.176 3.176 . 0 0 "[ ]" 1
2481 2 43 SER H 2 130 MET HB3 5.500 . 6.000 5.521 5.521 5.521 . 0 0 "[ ]" 1
2482 2 66 ASP HA 2 67 SER H 2.300 . 6.000 3.297 3.297 3.297 . 0 0 "[ ]" 1
2483 2 65 LEU HA 2 67 SER H 2.800 . 6.000 4.914 4.914 4.914 . 0 0 "[ ]" 1
2484 2 67 SER H 2 67 SER QB 2.400 . 3.100 2.158 2.158 2.158 . 0 0 "[ ]" 1
2485 2 66 ASP HB3 2 67 SER H 2.800 . 3.800 3.673 3.673 3.673 . 0 0 "[ ]" 1
2486 2 66 ASP HB2 2 67 SER H 3.600 . 5.300 3.837 3.837 3.837 . 0 0 "[ ]" 1
2487 2 64 PRO HB2 2 67 SER H 3.400 . 4.900 4.728 4.728 4.728 . 0 0 "[ ]" 1
2488 2 64 PRO HB3 2 67 SER H 3.300 . 4.600 3.640 3.640 3.640 . 0 0 "[ ]" 1
2489 2 65 LEU HB3 2 67 SER H 3.900 . 5.800 3.888 3.888 3.888 . 0 0 "[ ]" 1
2490 2 67 SER H 2 69 ASP H 4.700 . 6.000 5.498 5.498 5.498 . 0 0 "[ ]" 1
2491 2 67 SER H 2 68 PRO HA 4.100 . 6.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
2492 2 65 LEU H 2 67 SER H 4.500 . 6.000 3.168 3.168 3.168 . 0 0 "[ ]" 1
2493 2 67 SER H 2 70 GLU QG 4.700 . 6.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
2494 2 64 PRO QG 2 67 SER H 4.500 . 6.000 5.170 5.170 5.170 . 0 0 "[ ]" 1
2495 1 10 SER H 1 11 ASN HD21 4.300 . 6.000 5.168 5.168 5.168 . 0 0 "[ ]" 1
2496 2 41 SER H 2 46 TRP HA 2.800 . 3.800 3.281 3.281 3.281 . 0 0 "[ ]" 1
2497 2 41 SER H 2 41 SER HB3 3.300 . 4.700 3.013 3.013 3.013 . 0 0 "[ ]" 1
2498 2 41 SER H 2 41 SER HB2 2.800 . 3.800 2.983 2.983 2.983 . 0 0 "[ ]" 1
2499 2 40 LYS HA 2 41 SER H 2.400 . 3.100 2.338 2.338 2.338 . 0 0 "[ ]" 1
2500 2 40 LYS HE3 2 41 SER H 4.700 . 6.000 5.198 5.198 5.198 . 0 0 "[ ]" 1
2501 2 40 LYS HG3 2 41 SER H 4.800 . 6.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
2502 2 18 ASP H 2 29 LEU HB3 5.000 . 6.000 6.065 6.065 6.065 0.065 1 0 "[ ]" 1
2503 2 40 LYS H 2 41 SER H 4.500 . 6.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
2504 2 40 LYS HD3 2 41 SER H 3.900 . 5.800 4.816 4.816 4.816 . 0 0 "[ ]" 1
2505 2 40 LYS HG2 2 41 SER H 4.600 . 6.000 4.984 4.984 4.984 . 0 0 "[ ]" 1
2506 2 39 GLU QG 2 41 SER H 4.500 . 6.000 5.051 5.051 5.051 . 0 0 "[ ]" 1
2507 2 17 ALA HA 2 18 ASP H 2.300 . 3.000 2.275 2.275 2.275 . 0 0 "[ ]" 1
2508 2 18 ASP H 2 31 THR HA 4.100 . 6.000 5.520 5.520 5.520 . 0 0 "[ ]" 1
2509 2 18 ASP H 2 18 ASP HB3 2.600 . 3.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
2510 2 17 ALA MB 2 18 ASP H 2.600 . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 1
2511 2 18 ASP H 2 31 THR H 4.100 . 6.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
2512 2 18 ASP H 2 30 SER HA 4.300 . 6.000 5.362 5.362 5.362 . 0 0 "[ ]" 1
2513 2 18 ASP H 2 31 THR HB 4.700 . 6.000 5.390 5.390 5.390 . 0 0 "[ ]" 1
2514 2 83 TYR QB 2 105 VAL H 4.000 . 6.000 4.358 4.358 4.358 . 0 0 "[ ]" 1
2515 2 84 VAL HA 2 105 VAL H 3.200 . 4.500 3.127 3.127 3.127 . 0 0 "[ ]" 1
2516 2 104 ALA HA 2 105 VAL H 2.100 . 2.700 2.391 2.391 2.391 . 0 0 "[ ]" 1
2517 2 105 VAL H 2 105 VAL HA 2.800 . 3.800 2.868 2.868 2.868 . 0 0 "[ ]" 1
2518 2 86 ILE HA 2 102 GLY H 3.600 . 5.200 4.271 4.271 4.271 . 0 0 "[ ]" 1
2519 2 102 GLY H 2 102 GLY HA2 2.900 . 4.000 2.552 2.552 2.552 . 0 0 "[ ]" 1
2520 2 102 GLY H 2 102 GLY HA3 2.400 . 3.100 2.952 2.952 2.952 . 0 0 "[ ]" 1
2521 2 101 GLU HA 2 102 GLY H 2.100 . 2.700 2.351 2.351 2.351 . 0 0 "[ ]" 1
2522 2 102 GLY H 2 103 GLU HG3 5.700 . 6.000 5.475 5.475 5.475 . 0 0 "[ ]" 1
2523 2 101 GLU QG 2 102 GLY H 3.200 . 4.500 3.790 3.790 3.790 . 0 0 "[ ]" 1
2524 2 101 GLU QB 2 102 GLY H 3.400 . 4.900 4.030 4.030 4.030 . 0 0 "[ ]" 1
2525 2 102 GLY H 2 120 LYS HD2 5.000 . 6.000 6.043 6.043 6.043 0.043 1 0 "[ ]" 1
2526 2 85 ALA MB 2 102 GLY H 2.300 . 3.000 2.252 2.252 2.252 . 0 0 "[ ]" 1
2527 2 105 VAL H 2 105 VAL MG2 3.200 . 4.500 3.902 3.902 3.902 . 0 0 "[ ]" 1
2528 2 105 VAL H 2 105 VAL MG1 2.400 . 3.100 2.437 2.437 2.437 . 0 0 "[ ]" 1
2529 2 12 THR H 2 67 SER H 4.000 . 6.000 4.211 4.211 4.211 . 0 0 "[ ]" 1
2530 1 10 SER H 1 11 ASN HD22 4.700 . 6.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
2531 1 10 SER H 1 10 SER HA 2.800 . 3.800 2.877 2.877 2.877 . 0 0 "[ ]" 1
2532 1 9 PRO HA 1 10 SER H 2.100 . 2.700 2.258 2.258 2.258 . 0 0 "[ ]" 1
2533 1 10 SER H 1 11 ASN HB2 4.600 . 6.000 5.594 5.594 5.594 . 0 0 "[ ]" 1
2534 1 9 PRO HB3 1 10 SER H 3.700 . 5.400 3.113 3.113 3.113 . 0 0 "[ ]" 1
2535 1 9 PRO HB2 1 10 SER H 3.800 . 5.600 3.575 3.575 3.575 . 0 0 "[ ]" 1
2536 2 24 GLY QA 2 25 SER H 3.100 . 4.300 2.632 2.632 2.632 . 0 0 "[ ]" 1
2537 2 12 THR H 2 12 THR HA 2.700 . 3.600 2.883 2.883 2.883 . 0 0 "[ ]" 1
2538 2 11 GLN HA 2 12 THR H 2.100 . 2.600 2.240 2.240 2.240 . 0 0 "[ ]" 1
2539 2 12 THR H 2 12 THR HB 3.200 . 4.500 3.611 3.611 3.611 . 0 0 "[ ]" 1
2540 2 11 GLN QG 2 12 THR H 3.900 . 5.800 4.496 4.496 4.496 . 0 0 "[ ]" 1
2541 2 11 GLN HB2 2 12 THR H 3.600 . 5.200 4.533 4.533 4.533 . 0 0 "[ ]" 1
2542 2 12 THR H 2 12 THR MG 3.300 . 4.700 2.695 2.695 2.695 . 0 0 "[ ]" 1
2543 2 8 ILE MG 2 12 THR H 4.200 . 6.000 6.003 6.003 6.003 0.003 1 0 "[ ]" 1
2544 1 15 ARG HB2 1 15 ARG HE 4.400 . 6.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
2545 1 15 ARG HE 1 16 PRO HD2 4.100 . 6.000 3.029 3.029 3.029 . 0 0 "[ ]" 1
2546 1 15 ARG HE 1 15 ARG HG2 3.900 . 5.800 3.914 3.914 3.914 . 0 0 "[ ]" 1
2547 1 15 ARG HD2 1 15 ARG HE 3.300 . 4.700 2.268 2.268 2.268 . 0 0 "[ ]" 1
2548 1 15 ARG HB3 1 15 ARG HE 4.200 . 6.000 2.225 2.225 2.225 . 0 0 "[ ]" 1
2549 2 82 PRO HG2 2 136 GLY H 4.400 . 6.000 5.338 5.338 5.338 . 0 0 "[ ]" 1
2550 2 134 LYS HB3 2 136 GLY H 4.700 . 6.000 5.212 5.212 5.212 . 0 0 "[ ]" 1
2551 2 134 LYS QG 2 136 GLY H 3.800 . 5.600 2.418 2.418 2.418 . 0 0 "[ ]" 1
2552 2 84 VAL MG2 2 136 GLY H 2.700 . 6.000 5.838 5.838 5.838 . 0 0 "[ ]" 1
2553 2 135 SER HA 2 136 GLY H 2.400 . 3.100 2.520 2.520 2.520 . 0 0 "[ ]" 1
2554 2 136 GLY H 2 136 GLY QA 2.000 . 2.500 2.414 2.414 2.414 . 0 0 "[ ]" 1
2555 2 135 SER QB 2 136 GLY H 3.100 . 4.300 3.996 3.996 3.996 . 0 0 "[ ]" 1
2556 2 134 LYS QE 2 136 GLY H 3.500 . 5.100 2.803 2.803 2.803 . 0 0 "[ ]" 1
2557 2 134 LYS HA 2 136 GLY H 4.300 . 6.000 4.653 4.653 4.653 . 0 0 "[ ]" 1
2558 2 82 PRO HB2 2 136 GLY H 3.700 . 5.400 4.730 4.730 4.730 . 0 0 "[ ]" 1
2559 2 134 LYS HB2 2 136 GLY H 4.300 . 6.000 5.234 5.234 5.234 . 0 0 "[ ]" 1
2560 2 5 THR HA 2 6 GLY H 2.700 . 3.600 2.201 2.201 2.201 . 0 0 "[ ]" 1
2561 2 6 GLY H 2 8 ILE HA 2.800 . 6.000 5.148 5.148 5.148 . 0 0 "[ ]" 1
2562 2 5 THR MG 2 6 GLY H 4.000 . 6.000 2.292 2.292 2.292 . 0 0 "[ ]" 1
2563 2 4 ILE MD 2 6 GLY H 3.300 . 4.600 2.841 2.841 2.841 . 0 0 "[ ]" 1
2564 2 125 GLY H 2 126 TYR H 4.400 . 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
2565 2 120 LYS H 2 125 GLY H 4.800 . 6.000 4.756 4.756 4.756 . 0 0 "[ ]" 1
2566 2 124 THR HA 2 125 GLY H 2.100 . 2.700 2.181 2.181 2.181 . 0 0 "[ ]" 1
2567 2 119 ARG HA 2 125 GLY H 4.000 . 6.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
2568 2 117 VAL HA 2 125 GLY H 3.900 . 5.800 3.817 3.817 3.817 . 0 0 "[ ]" 1
2569 2 118 ILE HG13 2 125 GLY H 3.900 . 5.800 4.217 4.217 4.217 . 0 0 "[ ]" 1
2570 2 108 ILE HG12 2 125 GLY H 2.900 . 6.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
2571 2 117 VAL MG2 2 125 GLY H 2.700 . 3.600 3.636 3.636 3.636 0.036 1 0 "[ ]" 1
2572 2 118 ILE MG 2 125 GLY H 4.200 . 6.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
2573 1 3 LEU HA 1 4 GLY H 2.800 . 3.800 3.213 3.213 3.213 . 0 0 "[ ]" 1
2574 1 3 LEU QB 1 4 GLY H 3.900 . 5.800 3.456 3.456 3.456 . 0 0 "[ ]" 1
2575 1 3 LEU MD2 1 4 GLY H 4.600 . 6.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
2576 2 60 SER H 2 113 ASP HA 3.500 . 5.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
2577 2 60 SER H 2 60 SER HB3 3.200 . 4.500 3.105 3.105 3.105 . 0 0 "[ ]" 1
2578 2 60 SER H 2 60 SER HB2 3.200 . 4.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
2579 2 60 SER H 2 113 ASP HB3 4.000 . 6.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
2580 2 60 SER H 2 61 PHE HB2 4.500 . 6.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
2581 2 59 ALA HA 2 60 SER H 3.700 . 5.400 3.543 3.543 3.543 . 0 0 "[ ]" 1
2582 2 60 SER H 2 62 LEU HB2 4.100 . 6.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
2583 2 59 ALA MB 2 60 SER H 3.000 . 4.200 2.550 2.550 2.550 . 0 0 "[ ]" 1
2584 2 58 PRO HA 2 60 SER H 3.000 . 4.200 2.700 2.700 2.700 . 0 0 "[ ]" 1
2585 2 60 SER H 2 113 ASP HB2 4.200 . 6.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
2586 2 60 SER H 2 62 LEU HB3 4.200 . 6.000 5.784 5.784 5.784 . 0 0 "[ ]" 1
2587 2 60 SER H 2 61 PHE QD 4.500 . 6.000 5.861 5.861 5.861 . 0 0 "[ ]" 1
2588 2 93 GLU HA 2 94 GLY H 3.000 . 4.100 2.407 2.407 2.407 . 0 0 "[ ]" 1
2589 2 94 GLY H 2 94 GLY HA2 2.700 . 3.600 2.800 2.800 2.800 . 0 0 "[ ]" 1
2590 2 94 GLY H 2 94 GLY HA3 2.900 . 4.000 2.293 2.293 2.293 . 0 0 "[ ]" 1
2591 2 93 GLU HG3 2 94 GLY H 4.100 . 6.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
2592 2 93 GLU HB2 2 94 GLY H 3.000 . 4.100 3.693 3.693 3.693 . 0 0 "[ ]" 1
2593 2 41 SER HB2 2 44 GLY H 3.300 . 4.700 3.181 3.181 3.181 . 0 0 "[ ]" 1
2594 2 43 SER HA 2 44 GLY H 3.400 . 4.900 3.335 3.335 3.335 . 0 0 "[ ]" 1
2595 2 44 GLY H 2 44 GLY HA3 2.700 . 3.600 2.932 2.932 2.932 . 0 0 "[ ]" 1
2596 2 42 GLU HB3 2 44 GLY H 3.900 . 5.800 4.876 4.876 4.876 . 0 0 "[ ]" 1
2597 2 44 GLY H 2 112 LEU MD1 4.100 . 6.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
2598 2 44 GLY H 2 59 ALA MB 4.200 . 6.000 5.185 5.185 5.185 . 0 0 "[ ]" 1
2599 2 44 GLY H 2 45 TRP HB2 4.500 . 6.000 4.595 4.595 4.595 . 0 0 "[ ]" 1
2600 2 44 GLY H 2 130 MET HB3 5.200 . 7.000 6.561 6.561 6.561 . 0 0 "[ ]" 1
2601 2 47 PHE HA 2 55 GLY H 4.000 . 6.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
2602 2 27 MET HG3 2 55 GLY H 4.300 . 6.000 5.396 5.396 5.396 . 0 0 "[ ]" 1
2603 2 50 MET ME 2 55 GLY H 4.900 . 6.000 6.058 6.058 6.058 0.058 1 0 "[ ]" 1
2604 2 47 PHE HB3 2 55 GLY H 3.900 . 5.800 5.701 5.701 5.701 . 0 0 "[ ]" 1
2605 1 6 LYS HB3 2 55 GLY H 2.700 . 6.000 5.787 5.787 5.787 . 0 0 "[ ]" 1
2606 2 50 MET H 2 55 GLY H 4.300 . 6.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
2607 2 54 ARG HA 2 55 GLY H 2.300 . 2.900 2.738 2.738 2.738 . 0 0 "[ ]" 1
2608 2 55 GLY H 2 55 GLY HA3 2.900 . 4.000 2.922 2.922 2.922 . 0 0 "[ ]" 1
2609 2 55 GLY H 2 55 GLY HA2 2.900 . 3.900 2.682 2.682 2.682 . 0 0 "[ ]" 1
2610 2 54 ARG HD2 2 55 GLY H 4.900 . 6.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
2611 2 54 ARG HB3 2 55 GLY H 2.500 . 3.300 3.393 3.393 3.393 0.093 1 0 "[ ]" 1
2612 2 27 MET HB2 2 55 GLY H 2.800 . 3.800 2.694 2.694 2.694 . 0 0 "[ ]" 1
2613 2 29 LEU MD2 2 55 GLY H 4.000 . 6.000 5.080 5.080 5.080 . 0 0 "[ ]" 1
2614 2 38 VAL MG1 2 55 GLY H 3.100 . 4.300 4.056 4.056 4.056 . 0 0 "[ ]" 1
2615 2 114 GLY H 2 116 TRP HD1 3.600 . 5.200 4.114 4.114 4.114 . 0 0 "[ ]" 1
2616 2 112 LEU HA 2 114 GLY H 3.400 . 4.800 3.062 3.062 3.062 . 0 0 "[ ]" 1
2617 2 44 GLY HA2 2 114 GLY H 3.500 . 5.000 2.639 2.639 2.639 . 0 0 "[ ]" 1
2618 2 114 GLY H 2 114 GLY HA3 2.600 . 3.400 2.900 2.900 2.900 . 0 0 "[ ]" 1
2619 2 113 ASP HB2 2 114 GLY H 4.100 . 6.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
2620 2 111 LEU HB2 2 114 GLY H 4.100 . 6.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
2621 2 111 LEU MD1 2 114 GLY H 3.900 . 5.800 4.390 4.390 4.390 . 0 0 "[ ]" 1
2622 2 111 LEU MD2 2 114 GLY H 4.400 . 6.000 5.969 5.969 5.969 . 0 0 "[ ]" 1
2623 2 59 ALA MB 2 114 GLY H 3.300 . 4.600 4.614 4.614 4.614 0.014 1 0 "[ ]" 1
2624 2 112 LEU HB3 2 114 GLY H 4.000 . 6.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
2625 2 80 GLY H 2 108 ILE HA 3.900 . 5.800 4.462 4.462 4.462 . 0 0 "[ ]" 1
2626 2 80 GLY H 2 108 ILE MD 4.200 . 6.000 5.064 5.064 5.064 . 0 0 "[ ]" 1
2627 2 79 ALA H 2 80 GLY H 2.700 . 3.600 2.681 2.681 2.681 . 0 0 "[ ]" 1
2628 2 77 ASN HA 2 80 GLY H 3.800 . 5.600 4.777 4.777 4.777 . 0 0 "[ ]" 1
2629 2 79 ALA HA 2 80 GLY H 3.100 . 4.300 3.557 3.557 3.557 . 0 0 "[ ]" 1
2630 2 80 GLY H 2 80 GLY QA 2.600 . 3.400 2.171 2.171 2.171 . 0 0 "[ ]" 1
2631 2 77 ASN HB2 2 80 GLY H 4.700 . 6.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
2632 2 79 ALA MB 2 80 GLY H 3.100 . 4.300 2.429 2.429 2.429 . 0 0 "[ ]" 1
2633 2 80 GLY H 2 108 ILE MG 4.100 . 6.000 4.974 4.974 4.974 . 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 44
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 0.667
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.0606
_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 6 LYS 0.035 0.035 1 0 "[ ]"
1 8 PRO 0.000 0.000 . 0 "[ ]"
1 9 PRO 0.000 0.000 . 0 "[ ]"
1 12 PRO 0.042 0.042 1 0 "[ ]"
1 14 PRO 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.026 0.026 1 0 "[ ]"
1 20 ALA 0.022 0.022 1 0 "[ ]"
2 13 TYR 0.049 0.049 1 0 "[ ]"
2 19 TYR 0.000 0.000 . 0 "[ ]"
2 22 THR 0.000 0.000 . 0 "[ ]"
2 27 MET 0.000 0.000 . 0 "[ ]"
2 28 ALA 0.000 0.000 . 0 "[ ]"
2 37 VAL 0.000 0.000 . 0 "[ ]"
2 38 VAL 0.006 0.006 1 0 "[ ]"
2 42 GLU 0.142 0.142 1 0 "[ ]"
2 45 TRP 0.000 0.000 . 0 "[ ]"
2 46 TRP 0.049 0.049 1 0 "[ ]"
2 47 PHE 0.006 0.006 1 0 "[ ]"
2 54 ARG 0.000 0.000 . 0 "[ ]"
2 56 TRP 0.035 0.035 1 0 "[ ]"
2 61 PHE 0.022 0.022 1 0 "[ ]"
2 78 TYR 0.127 0.065 1 0 "[ ]"
2 83 TYR 0.138 0.138 1 0 "[ ]"
2 87 LYS 0.000 0.000 . 0 "[ ]"
2 89 TYR 0.000 0.000 . 0 "[ ]"
2 91 ALA 0.000 0.000 . 0 "[ ]"
2 93 GLU 0.000 0.000 . 0 "[ ]"
2 95 ASP 0.026 0.026 1 0 "[ ]"
2 108 ILE 0.065 0.065 1 0 "[ ]"
2 110 LYS 0.000 0.000 . 0 "[ ]"
2 111 LEU 0.000 0.000 . 0 "[ ]"
2 115 TRP 0.042 0.042 1 0 "[ ]"
2 116 TRP 0.359 0.142 1 0 "[ ]"
2 119 ARG 0.063 0.063 1 0 "[ ]"
2 126 TYR 0.000 0.000 . 0 "[ ]"
2 127 PHE 0.000 0.000 . 0 "[ ]"
2 129 SER 0.000 0.000 . 0 "[ ]"
2 131 TYR 0.000 0.000 . 0 "[ ]"
2 133 GLN 0.000 0.000 . 0 "[ ]"
2 134 LYS 0.079 0.079 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 15 ARG QD 2 126 TYR QD 2.000 . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 2
2 1 14 PRO QG 2 19 TYR QD 2.000 . 5.000 2.233 2.233 2.233 . 0 0 "[ ]" 2
3 2 83 TYR QD 2 133 GLN HA 2.000 . 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 2
4 2 13 TYR QD 2 37 VAL HB 2.000 . 5.000 4.525 4.525 4.525 . 0 0 "[ ]" 2
5 2 89 TYR QD 2 91 ALA HA 2.000 . 4.500 3.878 3.878 3.878 . 0 0 "[ ]" 2
6 2 78 TYR QD 2 119 ARG QB 2.000 . 5.000 5.063 5.063 5.063 0.063 1 0 "[ ]" 2
7 2 19 TYR QD 2 28 ALA HA 2.000 . 5.000 3.739 3.739 3.739 . 0 0 "[ ]" 2
8 2 19 TYR QD 2 28 ALA MB 2.000 . 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 2
9 1 20 ALA MB 2 61 PHE QE 2.000 . 5.000 5.022 5.022 5.022 0.022 1 0 "[ ]" 2
10 2 19 TYR QD 2 61 PHE QE 2.000 . 5.000 2.901 2.901 2.901 . 0 0 "[ ]" 2
11 2 19 TYR QD 2 61 PHE QD 2.000 . 5.000 3.266 3.266 3.266 . 0 0 "[ ]" 2
12 2 19 TYR QE 2 61 PHE QD 2.000 . 5.000 4.629 4.629 4.629 . 0 0 "[ ]" 2
13 2 47 PHE QD 2 54 ARG QG 2.000 . 5.000 4.147 4.147 4.147 . 0 0 "[ ]" 2
14 2 38 VAL HA 2 47 PHE QD 2.000 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 2
15 2 127 PHE QE 2 131 TYR QD 2.000 . 5.000 1.875 1.875 1.875 . 0 0 "[ ]" 2
16 2 89 TYR QD 2 131 TYR QD 2.000 . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 2
17 1 9 PRO QD 2 56 TRP HD1 2.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 2
18 2 110 LYS QG 2 116 TRP HH2 2.000 . 5.000 4.636 4.636 4.636 . 0 0 "[ ]" 2
19 1 14 PRO QD 2 45 TRP HH2 2.000 . 5.000 3.022 3.022 3.022 . 0 0 "[ ]" 2
20 1 12 PRO QG 2 115 TRP HH2 2.000 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 2
21 1 15 ARG QD 2 115 TRP HD1 2.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 2
22 2 111 LEU HA 2 116 TRP HD1 2.000 . 5.000 4.620 4.620 4.620 . 0 0 "[ ]" 2
23 1 8 PRO QB 2 56 TRP HZ3 2.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 2
24 1 6 LYS QB 2 56 TRP HZ3 2.000 . 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 2
25 2 116 TRP HE3 2 129 SER QB 2.000 . 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 2
26 2 116 TRP HZ3 2 134 LYS HA 2.000 . 5.000 5.079 5.079 5.079 0.079 1 0 "[ ]" 2
27 2 42 GLU QG 2 116 TRP HZ3 2.000 . 5.000 5.142 5.142 5.142 0.142 1 0 "[ ]" 2
28 1 9 PRO QD 2 45 TRP HE3 2.000 . 5.000 4.067 4.067 4.067 . 0 0 "[ ]" 2
29 2 45 TRP HE3 2 46 TRP QB 2.000 . 5.000 4.726 4.726 4.726 . 0 0 "[ ]" 2
30 2 13 TYR QE 2 46 TRP HZ2 2.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 2
31 2 19 TYR QE 2 22 THR HB 2.000 . 5.000 2.924 2.924 2.924 . 0 0 "[ ]" 2
32 2 19 TYR QE 2 27 MET QG 2.000 . 5.000 3.656 3.656 3.656 . 0 0 "[ ]" 2
33 2 87 LYS QE 2 131 TYR QE 2.000 . 5.000 4.407 4.407 4.407 . 0 0 "[ ]" 2
34 2 89 TYR HA 2 131 TYR QE 2.000 . 5.000 3.855 3.855 3.855 . 0 0 "[ ]" 2
35 2 78 TYR QE 2 108 ILE HA 2.000 . 5.000 5.065 5.065 5.065 0.065 1 0 "[ ]" 2
36 2 115 TRP HE3 2 127 PHE QB 2.000 . 5.000 4.688 4.688 4.688 . 0 0 "[ ]" 2
37 2 83 TYR QE 2 133 GLN HA 2.000 . 5.000 4.017 4.017 4.017 . 0 0 "[ ]" 2
38 1 8 PRO HA 2 56 TRP HZ2 2.000 . 5.000 3.468 3.468 3.468 . 0 0 "[ ]" 2
39 2 47 PHE QD 2 56 TRP HZ2 2.000 . 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 2
40 2 83 TYR QE 2 116 TRP HZ2 2.000 . 5.000 5.138 5.138 5.138 0.138 1 0 "[ ]" 2
41 1 12 PRO QD 2 115 TRP HZ2 2.000 . 5.000 4.720 4.720 4.720 . 0 0 "[ ]" 2
42 1 15 ARG NH1 2 95 ASP OD1 1.000 . 2.500 2.526 2.526 2.526 0.026 1 0 "[ ]" 2
43 1 15 ARG NH1 2 93 GLU OE1 2.000 . 4.000 3.315 3.315 3.315 . 0 0 "[ ]" 2
44 1 15 ARG HE 2 95 ASP QB 2.000 . 5.000 4.559 4.559 4.559 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 481
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 1.019
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0536
_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 6 LYS 0.000 0.000 . 0 "[ ]"
1 7 GLN 0.000 0.000 . 0 "[ ]"
1 8 PRO 0.005 0.005 1 0 "[ ]"
1 9 PRO 0.044 0.044 1 0 "[ ]"
1 11 ASN 0.000 0.000 . 0 "[ ]"
1 12 PRO 0.000 0.000 . 0 "[ ]"
1 13 PRO 0.000 0.000 . 0 "[ ]"
1 14 PRO 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.002 0.002 1 0 "[ ]"
1 16 PRO 0.000 0.000 . 0 "[ ]"
1 17 PRO 0.009 0.009 1 0 "[ ]"
1 18 ALA 0.042 0.042 1 0 "[ ]"
1 19 GLU 0.009 0.009 1 0 "[ ]"
1 20 ALA 0.009 0.009 1 0 "[ ]"
1 21 ARG 0.000 0.000 . 0 "[ ]"
2 11 GLN 0.000 0.000 . 0 "[ ]"
2 12 THR 0.122 0.090 1 0 "[ ]"
2 13 TYR 0.032 0.032 1 0 "[ ]"
2 14 ARG 0.000 0.000 . 0 "[ ]"
2 15 ALA 0.014 0.014 1 0 "[ ]"
2 16 ILE 0.021 0.021 1 0 "[ ]"
2 17 ALA 0.000 0.000 . 0 "[ ]"
2 18 ASP 0.000 0.000 . 0 "[ ]"
2 19 TYR 0.000 0.000 . 0 "[ ]"
2 20 GLU 0.000 0.000 . 0 "[ ]"
2 21 LYS 0.000 0.000 . 0 "[ ]"
2 22 THR 0.000 0.000 . 0 "[ ]"
2 27 MET 0.014 0.014 1 0 "[ ]"
2 28 ALA 0.014 0.014 1 0 "[ ]"
2 29 LEU 0.000 0.000 . 0 "[ ]"
2 30 SER 0.000 0.000 . 0 "[ ]"
2 31 THR 0.000 0.000 . 0 "[ ]"
2 32 GLY 0.000 0.000 . 0 "[ ]"
2 33 ASP 0.000 0.000 . 0 "[ ]"
2 34 VAL 0.000 0.000 . 0 "[ ]"
2 35 VAL 0.000 0.000 . 0 "[ ]"
2 36 GLU 0.000 0.000 . 0 "[ ]"
2 37 VAL 0.090 0.090 1 0 "[ ]"
2 38 VAL 0.000 0.000 . 0 "[ ]"
2 39 GLU 0.000 0.000 . 0 "[ ]"
2 40 LYS 0.054 0.054 1 0 "[ ]"
2 41 SER 0.000 0.000 . 0 "[ ]"
2 42 GLU 0.000 0.000 . 0 "[ ]"
2 43 SER 0.040 0.040 1 0 "[ ]"
2 45 TRP 0.089 0.044 1 0 "[ ]"
2 46 TRP 0.054 0.054 1 0 "[ ]"
2 47 PHE 0.000 0.000 . 0 "[ ]"
2 48 CYS 0.000 0.000 . 0 "[ ]"
2 49 GLN 0.166 0.166 1 0 "[ ]"
2 50 MET 0.166 0.166 1 0 "[ ]"
2 51 LYS 0.000 0.000 . 0 "[ ]"
2 52 ALA 0.000 0.000 . 0 "[ ]"
2 53 LYS 0.166 0.166 1 0 "[ ]"
2 54 ARG 0.000 0.000 . 0 "[ ]"
2 55 GLY 0.000 0.000 . 0 "[ ]"
2 56 TRP 0.005 0.005 1 0 "[ ]"
2 57 ILE 0.000 0.000 . 0 "[ ]"
2 58 PRO 0.000 0.000 . 0 "[ ]"
2 59 ALA 0.000 0.000 . 0 "[ ]"
2 60 SER 0.021 0.021 1 0 "[ ]"
2 61 PHE 0.042 0.042 1 0 "[ ]"
2 62 LEU 0.000 0.000 . 0 "[ ]"
2 63 GLU 0.000 0.000 . 0 "[ ]"
2 64 PRO 0.021 0.021 1 0 "[ ]"
2 65 LEU 0.090 0.090 1 0 "[ ]"
2 75 GLU 0.023 0.023 1 0 "[ ]"
2 76 PRO 0.000 0.000 . 0 "[ ]"
2 78 TYR 0.000 0.000 . 0 "[ ]"
2 82 PRO 0.000 0.000 . 0 "[ ]"
2 83 TYR 0.023 0.023 1 0 "[ ]"
2 84 VAL 0.114 0.114 1 0 "[ ]"
2 85 ALA 0.114 0.114 1 0 "[ ]"
2 86 ILE 0.000 0.000 . 0 "[ ]"
2 87 LYS 0.000 0.000 . 0 "[ ]"
2 88 ALA 0.000 0.000 . 0 "[ ]"
2 89 TYR 0.000 0.000 . 0 "[ ]"
2 90 THR 0.000 0.000 . 0 "[ ]"
2 91 ALA 0.000 0.000 . 0 "[ ]"
2 92 VAL 0.000 0.000 . 0 "[ ]"
2 95 ASP 0.000 0.000 . 0 "[ ]"
2 96 GLU 0.000 0.000 . 0 "[ ]"
2 97 VAL 0.000 0.000 . 0 "[ ]"
2 98 SER 0.000 0.000 . 0 "[ ]"
2 99 LEU 0.000 0.000 . 0 "[ ]"
2 100 LEU 0.000 0.000 . 0 "[ ]"
2 101 GLU 0.000 0.000 . 0 "[ ]"
2 103 GLU 0.000 0.000 . 0 "[ ]"
2 104 ALA 0.207 0.207 1 0 "[ ]"
2 105 VAL 0.321 0.207 1 0 "[ ]"
2 106 GLU 0.207 0.207 1 0 "[ ]"
2 107 VAL 0.000 0.000 . 0 "[ ]"
2 108 ILE 0.000 0.000 . 0 "[ ]"
2 109 HIS 0.037 0.023 1 0 "[ ]"
2 110 LYS 0.000 0.000 . 0 "[ ]"
2 111 LEU 0.106 0.092 1 0 "[ ]"
2 112 LEU 0.000 0.000 . 0 "[ ]"
2 113 ASP 0.000 0.000 . 0 "[ ]"
2 115 TRP 0.002 0.002 1 0 "[ ]"
2 116 TRP 0.051 0.028 1 0 "[ ]"
2 117 VAL 0.092 0.092 1 0 "[ ]"
2 118 ILE 0.000 0.000 . 0 "[ ]"
2 119 ARG 0.000 0.000 . 0 "[ ]"
2 121 ASP 0.000 0.000 . 0 "[ ]"
2 123 VAL 0.000 0.000 . 0 "[ ]"
2 124 THR 0.092 0.092 1 0 "[ ]"
2 125 GLY 0.000 0.000 . 0 "[ ]"
2 126 TYR 0.000 0.000 . 0 "[ ]"
2 127 PHE 0.000 0.000 . 0 "[ ]"
2 128 PRO 0.028 0.028 1 0 "[ ]"
2 129 SER 0.000 0.000 . 0 "[ ]"
2 130 MET 0.000 0.000 . 0 "[ ]"
2 131 TYR 0.000 0.000 . 0 "[ ]"
2 132 LEU 0.000 0.000 . 0 "[ ]"
2 133 GLN 0.000 0.000 . 0 "[ ]"
2 134 LYS 0.000 0.000 . 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 2 76 PRO HD3 2 109 HIS HE1 3.600 . 5.200 3.619 3.619 3.619 . 0 0 "[ ]" 3
2 2 109 HIS HE1 2 111 LEU HB2 4.500 . 6.000 5.767 5.767 5.767 . 0 0 "[ ]" 3
3 2 75 GLU HA 2 109 HIS HE1 4.100 . 6.000 6.023 6.023 6.023 0.023 1 0 "[ ]" 3
4 2 76 PRO HA 2 109 HIS HE1 4.000 . 6.000 4.848 4.848 4.848 . 0 0 "[ ]" 3
5 2 76 PRO HD2 2 109 HIS HE1 3.900 . 5.800 5.275 5.275 5.275 . 0 0 "[ ]" 3
6 2 83 TYR QD 2 86 ILE HG12 3.800 . 5.600 4.516 4.516 4.516 . 0 0 "[ ]" 3
7 2 83 TYR QD 2 116 TRP HZ3 3.700 . 5.400 2.693 2.693 2.693 . 0 0 "[ ]" 3
8 2 82 PRO HB3 2 83 TYR QD 3.600 . 5.300 4.507 4.507 4.507 . 0 0 "[ ]" 3
9 2 82 PRO HB2 2 83 TYR QD 4.000 . 6.000 4.360 4.360 4.360 . 0 0 "[ ]" 3
10 2 83 TYR QD 2 134 LYS HB3 4.300 . 6.000 4.072 4.072 4.072 . 0 0 "[ ]" 3
11 2 83 TYR QD 2 132 LEU HB3 3.000 . 6.000 4.837 4.837 4.837 . 0 0 "[ ]" 3
12 2 83 TYR QD 2 107 VAL MG2 3.400 . 4.800 2.612 2.612 2.612 . 0 0 "[ ]" 3
13 2 13 TYR QD 2 46 TRP HZ3 3.100 . 4.300 2.993 2.993 2.993 . 0 0 "[ ]" 3
14 2 13 TYR QD 2 64 PRO HD2 3.100 . 6.000 3.787 3.787 3.787 . 0 0 "[ ]" 3
15 2 13 TYR QD 2 64 PRO HA 2.800 . 3.800 2.609 2.609 2.609 . 0 0 "[ ]" 3
16 2 13 TYR HB3 2 13 TYR QD 2.600 . 3.400 2.313 2.313 2.313 . 0 0 "[ ]" 3
17 2 13 TYR HB2 2 13 TYR QD 2.700 . 3.600 2.526 2.526 2.526 . 0 0 "[ ]" 3
18 2 13 TYR QD 2 59 ALA HA 4.200 . 6.000 5.419 5.419 5.419 . 0 0 "[ ]" 3
19 2 11 GLN HB3 2 13 TYR QD 3.300 . 4.700 2.948 2.948 2.948 . 0 0 "[ ]" 3
20 2 13 TYR QD 2 37 VAL HB 3.800 . 5.600 4.337 4.337 4.337 . 0 0 "[ ]" 3
21 2 13 TYR QD 2 62 LEU HB3 2.700 . 3.600 2.867 2.867 2.867 . 0 0 "[ ]" 3
22 2 13 TYR QD 2 62 LEU HB2 3.500 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 3
23 2 13 TYR QD 2 37 VAL MG2 2.400 . 3.100 2.272 2.272 2.272 . 0 0 "[ ]" 3
24 2 13 TYR QD 2 37 VAL MG1 4.500 . 6.000 4.759 4.759 4.759 . 0 0 "[ ]" 3
25 2 89 TYR QD 2 91 ALA MB 4.000 . 6.000 4.568 4.568 4.568 . 0 0 "[ ]" 3
26 2 96 GLU HA 2 126 TYR QD 3.700 . 5.400 3.738 3.738 3.738 . 0 0 "[ ]" 3
27 2 95 ASP HA 2 126 TYR QD 3.500 . 6.000 3.741 3.741 3.741 . 0 0 "[ ]" 3
28 2 115 TRP HA 2 126 TYR QD 3.800 . 5.600 3.937 3.937 3.937 . 0 0 "[ ]" 3
29 2 117 VAL HA 2 126 TYR QD 3.400 . 4.800 4.062 4.062 4.062 . 0 0 "[ ]" 3
30 2 95 ASP HB3 2 126 TYR QD 2.800 . 3.800 2.429 2.429 2.429 . 0 0 "[ ]" 3
31 2 111 LEU MD1 2 126 TYR QD 3.000 . 4.100 3.978 3.978 3.978 . 0 0 "[ ]" 3
32 2 89 TYR QD 2 127 PHE QE 3.500 . 5.000 2.540 2.540 2.540 . 0 0 "[ ]" 3
33 2 89 TYR QD 2 131 TYR QE 2.800 . 6.000 2.657 2.657 2.657 . 0 0 "[ ]" 3
34 2 89 TYR QD 2 98 SER HA 3.800 . 5.600 3.112 3.112 3.112 . 0 0 "[ ]" 3
35 2 89 TYR QD 2 99 LEU HA 4.000 . 6.000 4.793 4.793 4.793 . 0 0 "[ ]" 3
36 2 89 TYR HB3 2 89 TYR QD 2.700 . 3.600 2.461 2.461 2.461 . 0 0 "[ ]" 3
37 2 89 TYR HB2 2 89 TYR QD 2.600 . 6.000 2.350 2.350 2.350 . 0 0 "[ ]" 3
38 2 89 TYR QD 2 96 GLU QB 3.900 . 5.800 4.684 4.684 4.684 . 0 0 "[ ]" 3
39 2 87 LYS HB2 2 89 TYR QD 4.000 . 6.000 4.929 4.929 4.929 . 0 0 "[ ]" 3
40 2 89 TYR QD 2 128 PRO HD2 3.400 . 4.800 4.546 4.546 4.546 . 0 0 "[ ]" 3
41 2 89 TYR QD 2 128 PRO HG2 3.700 . 5.400 4.744 4.744 4.744 . 0 0 "[ ]" 3
42 2 78 TYR HA 2 78 TYR QD 2.300 . 3.000 2.211 2.211 2.211 . 0 0 "[ ]" 3
43 2 78 TYR HB3 2 78 TYR QD 2.400 . 6.000 2.775 2.775 2.775 . 0 0 "[ ]" 3
44 2 78 TYR HB2 2 78 TYR QD 2.200 . 2.800 2.356 2.356 2.356 . 0 0 "[ ]" 3
45 2 78 TYR QD 2 108 ILE HB 4.000 . 6.000 4.943 4.943 4.943 . 0 0 "[ ]" 3
46 2 19 TYR QD 2 21 LYS HA 3.700 . 5.400 4.301 4.301 4.301 . 0 0 "[ ]" 3
47 2 18 ASP HB2 2 19 TYR QD 4.200 . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 3
48 2 19 TYR HB2 2 19 TYR QD 2.900 . 3.900 2.424 2.424 2.424 . 0 0 "[ ]" 3
49 2 19 TYR QD 2 20 GLU HB2 3.700 . 5.400 2.915 2.915 2.915 . 0 0 "[ ]" 3
50 2 19 TYR QD 2 29 LEU MD2 3.600 . 5.200 3.111 3.111 3.111 . 0 0 "[ ]" 3
51 2 60 SER HB2 2 61 PHE QE 3.200 . 6.000 5.621 5.621 5.621 . 0 0 "[ ]" 3
52 2 58 PRO HG3 2 61 PHE QE 3.100 . 6.000 4.875 4.875 4.875 . 0 0 "[ ]" 3
53 2 61 PHE HA 2 61 PHE QE 3.800 . 5.600 4.093 4.093 4.093 . 0 0 "[ ]" 3
54 1 17 PRO HD2 2 61 PHE QE 3.000 . 6.000 4.185 4.185 4.185 . 0 0 "[ ]" 3
55 2 19 TYR QB 2 61 PHE QE 3.400 . 6.000 3.158 3.158 3.158 . 0 0 "[ ]" 3
56 1 14 PRO HG3 2 61 PHE QE 3.300 . 4.600 2.649 2.649 2.649 . 0 0 "[ ]" 3
57 1 18 ALA MB 2 61 PHE QE 3.200 . 6.000 6.042 6.042 6.042 0.042 1 0 "[ ]" 3
58 2 58 PRO HA 2 61 PHE QD 3.100 . 6.000 4.956 4.956 4.956 . 0 0 "[ ]" 3
59 1 14 PRO HG3 2 61 PHE QD 3.900 . 5.800 3.878 3.878 3.878 . 0 0 "[ ]" 3
60 2 61 PHE HA 2 61 PHE QD 2.800 . 3.800 1.851 1.851 1.851 . 0 0 "[ ]" 3
61 2 61 PHE HB3 2 61 PHE QD 2.700 . 3.600 2.762 2.762 2.762 . 0 0 "[ ]" 3
62 2 61 PHE HB2 2 61 PHE QD 2.900 . 4.000 2.331 2.331 2.331 . 0 0 "[ ]" 3
63 2 19 TYR HB3 2 61 PHE QD 3.500 . 6.000 3.787 3.787 3.787 . 0 0 "[ ]" 3
64 2 58 PRO HD2 2 61 PHE QD 3.600 . 6.000 3.783 3.783 3.783 . 0 0 "[ ]" 3
65 2 58 PRO HG2 2 61 PHE QD 3.300 . 4.700 1.915 1.915 1.915 . 0 0 "[ ]" 3
66 2 47 PHE HA 2 47 PHE QE 3.700 . 5.400 4.399 4.399 4.399 . 0 0 "[ ]" 3
67 2 47 PHE HB3 2 47 PHE QE 3.800 . 5.600 4.294 4.294 4.294 . 0 0 "[ ]" 3
68 2 38 VAL HB 2 47 PHE QE 3.400 . 6.000 4.714 4.714 4.714 . 0 0 "[ ]" 3
69 2 47 PHE QE 2 54 ARG HB3 3.700 . 5.400 4.240 4.240 4.240 . 0 0 "[ ]" 3
70 2 47 PHE QE 2 54 ARG HB2 3.100 . 4.300 3.335 3.335 3.335 . 0 0 "[ ]" 3
71 2 47 PHE HB2 2 47 PHE QE 4.100 . 6.000 4.438 4.438 4.438 . 0 0 "[ ]" 3
72 2 47 PHE QD 2 55 GLY HA2 3.200 . 6.000 3.729 3.729 3.729 . 0 0 "[ ]" 3
73 2 47 PHE QD 2 48 CYS HA 3.400 . 4.800 3.181 3.181 3.181 . 0 0 "[ ]" 3
74 2 47 PHE QD 2 55 GLY HA3 4.000 . 6.000 4.894 4.894 4.894 . 0 0 "[ ]" 3
75 2 47 PHE HB3 2 47 PHE QD 2.700 . 3.600 2.287 2.287 2.287 . 0 0 "[ ]" 3
76 2 38 VAL HB 2 47 PHE QD 3.000 . 6.000 4.011 4.011 4.011 . 0 0 "[ ]" 3
77 2 47 PHE QD 2 54 ARG HB3 3.600 . 6.000 5.395 5.395 5.395 . 0 0 "[ ]" 3
78 2 47 PHE HB2 2 47 PHE QD 2.900 . 3.900 2.521 2.521 2.521 . 0 0 "[ ]" 3
79 2 47 PHE QE 2 56 TRP HB3 3.900 . 6.000 5.931 5.931 5.931 . 0 0 "[ ]" 3
80 2 89 TYR HB2 2 131 TYR QD 2.800 . 3.800 2.457 2.457 2.457 . 0 0 "[ ]" 3
81 1 12 PRO HB3 2 131 TYR QD 3.100 . 6.000 3.739 3.739 3.739 . 0 0 "[ ]" 3
82 1 12 PRO HG3 2 131 TYR QD 3.800 . 5.600 3.044 3.044 3.044 . 0 0 "[ ]" 3
83 2 87 LYS HD3 2 131 TYR QD 3.800 . 5.700 3.089 3.089 3.089 . 0 0 "[ ]" 3
84 2 87 LYS HG3 2 131 TYR QD 3.200 . 4.400 4.014 4.014 4.014 . 0 0 "[ ]" 3
85 2 87 LYS HB3 2 131 TYR QD 3.300 . 4.700 3.342 3.342 3.342 . 0 0 "[ ]" 3
86 1 12 PRO HG2 2 131 TYR QD 3.200 . 4.500 3.678 3.678 3.678 . 0 0 "[ ]" 3
87 2 128 PRO HB3 2 131 TYR QD 3.400 . 4.900 3.129 3.129 3.129 . 0 0 "[ ]" 3
88 2 131 TYR HB3 2 131 TYR QD 2.900 . 3.900 2.288 2.288 2.288 . 0 0 "[ ]" 3
89 1 6 LYS HB2 2 47 PHE QD 3.900 . 5.800 4.538 4.538 4.538 . 0 0 "[ ]" 3
90 2 87 LYS HB2 2 127 PHE QE 3.700 . 5.400 3.412 3.412 3.412 . 0 0 "[ ]" 3
91 2 91 ALA MB 2 127 PHE QE 3.100 . 4.300 2.657 2.657 2.657 . 0 0 "[ ]" 3
92 2 99 LEU HB3 2 127 PHE QE 4.000 . 6.000 4.007 4.007 4.007 . 0 0 "[ ]" 3
93 2 127 PHE QE 2 132 LEU QD 3.900 . 6.000 3.369 3.369 3.369 . 0 0 "[ ]" 3
94 2 88 ALA HA 2 127 PHE QE 3.100 . 6.000 4.453 4.453 4.453 . 0 0 "[ ]" 3
95 2 127 PHE QE 2 131 TYR HB3 3.600 . 5.200 2.253 2.253 2.253 . 0 0 "[ ]" 3
96 2 89 TYR HB3 2 127 PHE QE 3.100 . 4.300 2.718 2.718 2.718 . 0 0 "[ ]" 3
97 2 89 TYR HB2 2 127 PHE QE 3.900 . 5.800 3.751 3.751 3.751 . 0 0 "[ ]" 3
98 2 85 ALA MB 2 127 PHE QE 4.100 . 6.000 3.964 3.964 3.964 . 0 0 "[ ]" 3
99 2 87 LYS HG3 2 127 PHE QE 3.500 . 5.000 4.688 4.688 4.688 . 0 0 "[ ]" 3
100 1 12 PRO HG2 2 127 PHE QE 3.400 . 4.900 4.177 4.177 4.177 . 0 0 "[ ]" 3
101 2 47 PHE QE 2 56 TRP HD1 3.700 . 5.400 3.479 3.479 3.479 . 0 0 "[ ]" 3
102 2 47 PHE QD 2 56 TRP HD1 3.700 . 5.400 3.850 3.850 3.850 . 0 0 "[ ]" 3
103 2 55 GLY HA3 2 56 TRP HD1 4.300 . 6.000 4.633 4.633 4.633 . 0 0 "[ ]" 3
104 2 55 GLY HA2 2 56 TRP HD1 3.700 . 5.500 3.973 3.973 3.973 . 0 0 "[ ]" 3
105 2 56 TRP HA 2 56 TRP HD1 3.900 . 5.800 4.268 4.268 4.268 . 0 0 "[ ]" 3
106 2 56 TRP HB3 2 56 TRP HD1 3.900 . 5.800 3.770 3.770 3.770 . 0 0 "[ ]" 3
107 2 56 TRP HB2 2 56 TRP HD1 2.800 . 3.800 2.617 2.617 2.617 . 0 0 "[ ]" 3
108 1 9 PRO HB3 2 56 TRP HD1 3.200 . 6.000 5.221 5.221 5.221 . 0 0 "[ ]" 3
109 1 6 LYS HD2 2 56 TRP HD1 4.200 . 6.000 5.395 5.395 5.395 . 0 0 "[ ]" 3
110 2 43 SER QB 2 45 TRP HD1 2.700 . 3.600 2.981 2.981 2.981 . 0 0 "[ ]" 3
111 2 43 SER HA 2 45 TRP HD1 3.700 . 5.400 5.440 5.440 5.440 0.040 1 0 "[ ]" 3
112 2 45 TRP HB3 2 45 TRP HD1 3.600 . 5.200 3.666 3.666 3.666 . 0 0 "[ ]" 3
113 2 45 TRP HB2 2 45 TRP HD1 2.700 . 3.600 2.565 2.565 2.565 . 0 0 "[ ]" 3
114 1 8 PRO QG 2 45 TRP HD1 4.100 . 6.000 4.836 4.836 4.836 . 0 0 "[ ]" 3
115 1 13 PRO HB3 2 45 TRP HD1 3.600 . 6.000 5.435 5.435 5.435 . 0 0 "[ ]" 3
116 1 8 PRO HB3 2 45 TRP HD1 3.700 . 5.400 4.432 4.432 4.432 . 0 0 "[ ]" 3
117 1 8 PRO HB2 2 45 TRP HD1 3.200 . 4.500 3.297 3.297 3.297 . 0 0 "[ ]" 3
118 1 13 PRO HD3 2 45 TRP HD1 3.700 . 5.400 3.217 3.217 3.217 . 0 0 "[ ]" 3
119 2 83 TYR QE 2 116 TRP HH2 3.200 . 6.000 2.871 2.871 2.871 . 0 0 "[ ]" 3
120 2 42 GLU HB3 2 116 TRP HH2 3.500 . 5.000 4.892 4.892 4.892 . 0 0 "[ ]" 3
121 2 116 TRP HH2 2 129 SER HB3 3.900 . 5.800 5.047 5.047 5.047 . 0 0 "[ ]" 3
122 2 110 LYS HB3 2 116 TRP HH2 3.000 . 4.100 3.630 3.630 3.630 . 0 0 "[ ]" 3
123 2 110 LYS HB2 2 116 TRP HH2 3.200 . 6.000 5.535 5.535 5.535 . 0 0 "[ ]" 3
124 2 107 VAL MG2 2 116 TRP HH2 3.700 . 5.400 5.286 5.286 5.286 . 0 0 "[ ]" 3
125 2 115 TRP HA 2 115 TRP HD1 3.800 . 5.600 3.805 3.805 3.805 . 0 0 "[ ]" 3
126 1 15 ARG HD2 2 115 TRP HD1 3.100 . 4.300 3.941 3.941 3.941 . 0 0 "[ ]" 3
127 2 45 TRP HH2 2 57 ILE HA 4.500 . 6.000 4.558 4.558 4.558 . 0 0 "[ ]" 3
128 1 13 PRO HA 2 45 TRP HH2 3.200 . 4.500 2.941 2.941 2.941 . 0 0 "[ ]" 3
129 1 14 PRO HD3 2 45 TRP HH2 3.500 . 5.000 3.732 3.732 3.732 . 0 0 "[ ]" 3
130 1 9 PRO HB3 2 45 TRP HH2 3.900 . 5.800 4.738 4.738 4.738 . 0 0 "[ ]" 3
131 1 13 PRO HB3 2 45 TRP HH2 3.600 . 5.200 3.538 3.538 3.538 . 0 0 "[ ]" 3
132 1 13 PRO HB2 2 45 TRP HH2 4.500 . 6.000 4.670 4.670 4.670 . 0 0 "[ ]" 3
133 2 46 TRP HA 2 56 TRP HH2 4.400 . 6.000 5.007 5.007 5.007 . 0 0 "[ ]" 3
134 1 8 PRO HD3 2 56 TRP HH2 3.400 . 4.800 4.489 4.489 4.489 . 0 0 "[ ]" 3
135 1 6 LYS HB2 2 56 TRP HH2 3.300 . 6.000 4.143 4.143 4.143 . 0 0 "[ ]" 3
136 2 46 TRP HH2 2 62 LEU MD1 3.900 . 5.800 4.941 4.941 4.941 . 0 0 "[ ]" 3
137 2 46 TRP HH2 2 112 LEU HB3 4.100 . 6.000 4.374 4.374 4.374 . 0 0 "[ ]" 3
138 1 15 ARG HB3 2 115 TRP HD1 2.900 . 6.000 6.002 6.002 6.002 0.002 1 0 "[ ]" 3
139 2 113 ASP HA 2 115 TRP HD1 3.100 . 6.000 5.883 5.883 5.883 . 0 0 "[ ]" 3
140 1 15 ARG HA 2 115 TRP HD1 3.200 . 4.500 4.046 4.046 4.046 . 0 0 "[ ]" 3
141 1 16 PRO HD3 2 115 TRP HD1 3.400 . 4.800 4.754 4.754 4.754 . 0 0 "[ ]" 3
142 2 115 TRP HB3 2 115 TRP HD1 3.300 . 4.700 3.880 3.880 3.880 . 0 0 "[ ]" 3
143 2 115 TRP HB2 2 115 TRP HD1 3.100 . 4.300 2.812 2.812 2.812 . 0 0 "[ ]" 3
144 2 115 TRP HD1 2 128 PRO HG3 3.600 . 5.200 4.903 4.903 4.903 . 0 0 "[ ]" 3
145 2 41 SER HB2 2 56 TRP HH2 3.200 . 4.500 3.463 3.463 3.463 . 0 0 "[ ]" 3
146 1 8 PRO HA 2 56 TRP HH2 3.700 . 5.400 4.112 4.112 4.112 . 0 0 "[ ]" 3
147 1 6 LYS HB3 2 56 TRP HH2 3.600 . 5.200 3.318 3.318 3.318 . 0 0 "[ ]" 3
148 1 6 LYS HG2 2 56 TRP HH2 3.700 . 5.400 5.168 5.168 5.168 . 0 0 "[ ]" 3
149 2 47 PHE HB2 2 56 TRP HH2 3.500 . 5.000 3.364 3.364 3.364 . 0 0 "[ ]" 3
150 2 115 TRP HH2 2 128 PRO HD3 3.300 . 4.700 3.803 3.803 3.803 . 0 0 "[ ]" 3
151 2 115 TRP HH2 2 128 PRO HD2 3.900 . 5.800 5.007 5.007 5.007 . 0 0 "[ ]" 3
152 2 116 TRP HD1 2 129 SER HB3 3.400 . 4.800 3.397 3.397 3.397 . 0 0 "[ ]" 3
153 2 110 LYS HB2 2 116 TRP HD1 4.600 . 6.000 4.368 4.368 4.368 . 0 0 "[ ]" 3
154 2 110 LYS HB3 2 116 TRP HD1 3.700 . 5.400 3.899 3.899 3.899 . 0 0 "[ ]" 3
155 2 116 TRP HD1 2 128 PRO HA 4.100 . 6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 3
156 2 111 LEU HB2 2 116 TRP HD1 3.200 . 6.000 3.781 3.781 3.781 . 0 0 "[ ]" 3
157 2 110 LYS HB3 2 116 TRP HD1 3.500 . 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 3
158 2 107 VAL MG1 2 116 TRP HD1 4.100 . 6.000 5.496 5.496 5.496 . 0 0 "[ ]" 3
159 2 56 TRP HA 2 56 TRP HZ3 3.200 . 6.000 5.015 5.015 5.015 . 0 0 "[ ]" 3
160 2 41 SER HB3 2 56 TRP HZ3 3.500 . 5.100 3.914 3.914 3.914 . 0 0 "[ ]" 3
161 2 41 SER HB2 2 56 TRP HZ3 2.900 . 3.900 3.433 3.433 3.433 . 0 0 "[ ]" 3
162 2 45 TRP HB3 2 56 TRP HZ3 3.800 . 5.600 3.452 3.452 3.452 . 0 0 "[ ]" 3
163 1 8 PRO HA 2 56 TRP HZ3 4.100 . 6.000 4.155 4.155 4.155 . 0 0 "[ ]" 3
164 2 41 SER HB2 2 46 TRP HD1 4.000 . 6.000 4.704 4.704 4.704 . 0 0 "[ ]" 3
165 2 45 TRP HA 2 46 TRP HD1 3.700 . 5.400 4.495 4.495 4.495 . 0 0 "[ ]" 3
166 2 41 SER HB3 2 46 TRP HD1 3.600 . 5.200 4.246 4.246 4.246 . 0 0 "[ ]" 3
167 2 46 TRP QB 2 46 TRP HD1 3.200 . 4.500 3.224 3.224 3.224 . 0 0 "[ ]" 3
168 2 40 LYS HB2 2 46 TRP HD1 3.900 . 5.800 4.169 4.169 4.169 . 0 0 "[ ]" 3
169 2 40 LYS HB3 2 46 TRP HD1 3.600 . 5.300 3.261 3.261 3.261 . 0 0 "[ ]" 3
170 2 40 LYS HG3 2 46 TRP HD1 4.400 . 6.000 6.054 6.054 6.054 0.054 1 0 "[ ]" 3
171 2 46 TRP HE3 2 59 ALA HA 3.700 . 5.400 3.739 3.739 3.739 . 0 0 "[ ]" 3
172 2 46 TRP HE3 2 57 ILE HB 4.000 . 6.000 5.619 5.619 5.619 . 0 0 "[ ]" 3
173 2 46 TRP QB 2 46 TRP HE3 3.100 . 4.300 2.576 2.576 2.576 . 0 0 "[ ]" 3
174 2 11 GLN HB3 2 46 TRP HE3 3.400 . 6.000 5.971 5.971 5.971 . 0 0 "[ ]" 3
175 2 45 TRP HE3 2 56 TRP HE3 2.800 . 3.700 2.408 2.408 2.408 . 0 0 "[ ]" 3
176 2 56 TRP HA 2 56 TRP HE3 3.000 . 4.200 2.913 2.913 2.913 . 0 0 "[ ]" 3
177 2 47 PHE HA 2 56 TRP HE3 3.400 . 4.900 3.720 3.720 3.720 . 0 0 "[ ]" 3
178 2 56 TRP HB3 2 56 TRP HE3 3.100 . 4.300 2.674 2.674 2.674 . 0 0 "[ ]" 3
179 2 45 TRP HB2 2 56 TRP HE3 4.200 . 6.000 3.640 3.640 3.640 . 0 0 "[ ]" 3
180 1 8 PRO HA 2 56 TRP HE3 4.000 . 6.000 4.311 4.311 4.311 . 0 0 "[ ]" 3
181 2 45 TRP HB3 2 56 TRP HE3 2.700 . 3.600 2.158 2.158 2.158 . 0 0 "[ ]" 3
182 2 107 VAL MG2 2 116 TRP HE3 2.900 . 3.900 3.046 3.046 3.046 . 0 0 "[ ]" 3
183 2 35 VAL HB 2 46 TRP HE3 4.000 . 6.000 5.585 5.585 5.585 . 0 0 "[ ]" 3
184 2 46 TRP HE3 2 62 LEU HB2 4.000 . 6.000 4.530 4.530 4.530 . 0 0 "[ ]" 3
185 2 45 TRP HZ3 2 58 PRO HD3 2.800 . 3.800 2.563 2.563 2.563 . 0 0 "[ ]" 3
186 2 27 MET HG3 2 45 TRP HZ3 3.600 . 6.000 5.793 5.793 5.793 . 0 0 "[ ]" 3
187 2 45 TRP HZ3 2 57 ILE HB 4.100 . 6.000 4.467 4.467 4.467 . 0 0 "[ ]" 3
188 2 42 GLU HG2 2 116 TRP HZ3 3.600 . 5.200 5.143 5.143 5.143 . 0 0 "[ ]" 3
189 2 110 LYS HB3 2 116 TRP HZ3 3.400 . 4.900 4.758 4.758 4.758 . 0 0 "[ ]" 3
190 2 107 VAL MG2 2 116 TRP HZ3 3.100 . 4.300 3.686 3.686 3.686 . 0 0 "[ ]" 3
191 2 92 VAL HB 2 115 TRP HZ3 2.800 . 6.000 5.888 5.888 5.888 . 0 0 "[ ]" 3
192 2 115 TRP HZ3 2 128 PRO HD3 2.900 . 4.000 2.804 2.804 2.804 . 0 0 "[ ]" 3
193 2 91 ALA MB 2 115 TRP HZ3 4.500 . 6.000 5.817 5.817 5.817 . 0 0 "[ ]" 3
194 2 115 TRP HZ3 2 128 PRO HD2 3.800 . 5.600 4.176 4.176 4.176 . 0 0 "[ ]" 3
195 2 96 GLU HA 2 115 TRP HZ3 4.400 . 6.000 4.349 4.349 4.349 . 0 0 "[ ]" 3
196 2 115 TRP HZ3 2 127 PHE HA 3.200 . 4.500 3.328 3.328 3.328 . 0 0 "[ ]" 3
197 2 115 TRP HZ3 2 126 TYR HB3 4.400 . 6.000 4.002 4.002 4.002 . 0 0 "[ ]" 3
198 2 115 TRP HB2 2 115 TRP HZ3 4.400 . 6.000 4.646 4.646 4.646 . 0 0 "[ ]" 3
199 2 96 GLU QB 2 115 TRP HZ3 3.400 . 4.900 2.680 2.680 2.680 . 0 0 "[ ]" 3
200 2 115 TRP HZ3 2 128 PRO HG3 4.100 . 6.000 4.377 4.377 4.377 . 0 0 "[ ]" 3
201 2 115 TRP HZ3 2 128 PRO HG2 4.400 . 6.000 4.968 4.968 4.968 . 0 0 "[ ]" 3
202 2 45 TRP HB3 2 45 TRP HE3 3.100 . 4.300 2.860 2.860 2.860 . 0 0 "[ ]" 3
203 2 45 TRP HE3 2 56 TRP HB3 3.000 . 4.000 2.400 2.400 2.400 . 0 0 "[ ]" 3
204 2 45 TRP HE3 2 56 TRP HE3 3.600 . 5.200 3.413 3.413 3.413 . 0 0 "[ ]" 3
205 2 45 TRP HE3 2 58 PRO HD3 3.600 . 5.200 4.479 4.479 4.479 . 0 0 "[ ]" 3
206 2 45 TRP HE3 2 58 PRO HD2 4.300 . 6.000 5.606 5.606 5.606 . 0 0 "[ ]" 3
207 1 6 LYS HB3 2 45 TRP HE3 3.400 . 6.000 5.965 5.965 5.965 . 0 0 "[ ]" 3
208 1 8 PRO HB3 2 45 TRP HE3 4.400 . 6.000 4.960 4.960 4.960 . 0 0 "[ ]" 3
209 2 126 TYR HA 2 126 TYR QE 2.700 . 6.000 4.399 4.399 4.399 . 0 0 "[ ]" 3
210 2 117 VAL HA 2 126 TYR QE 3.000 . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 3
211 2 19 TYR QE 2 20 GLU HA 3.200 . 6.000 4.382 4.382 4.382 . 0 0 "[ ]" 3
212 2 126 TYR HB3 2 126 TYR QE 3.500 . 5.100 4.450 4.450 4.450 . 0 0 "[ ]" 3
213 2 19 TYR HB3 2 19 TYR QE 2.700 . 3.600 2.713 2.713 2.713 . 0 0 "[ ]" 3
214 2 115 TRP HE3 2 126 TYR HA 3.600 . 5.300 4.127 4.127 4.127 . 0 0 "[ ]" 3
215 2 89 TYR QE 2 92 VAL HA 3.900 . 5.800 5.437 5.437 5.437 . 0 0 "[ ]" 3
216 2 115 TRP HE3 2 126 TYR HB3 2.600 . 3.500 2.207 2.207 2.207 . 0 0 "[ ]" 3
217 2 89 TYR QE 2 92 VAL HB 3.300 . 6.000 4.612 4.612 4.612 . 0 0 "[ ]" 3
218 1 12 PRO HG2 2 89 TYR QE 3.700 . 5.400 4.861 4.861 4.861 . 0 0 "[ ]" 3
219 2 89 TYR QE 2 128 PRO HG3 3.900 . 5.800 4.050 4.050 4.050 . 0 0 "[ ]" 3
220 2 115 TRP HB2 2 115 TRP HE3 3.200 . 4.500 3.417 3.417 3.417 . 0 0 "[ ]" 3
221 2 13 TYR QE 2 46 TRP HZ3 2.900 . 4.000 2.779 2.779 2.779 . 0 0 "[ ]" 3
222 2 13 TYR QE 2 64 PRO HD2 2.800 . 6.000 3.839 3.839 3.839 . 0 0 "[ ]" 3
223 2 13 TYR QE 2 64 PRO HD3 4.400 . 6.000 2.253 2.253 2.253 . 0 0 "[ ]" 3
224 2 13 TYR QE 2 64 PRO HA 3.000 . 4.100 3.351 3.351 3.351 . 0 0 "[ ]" 3
225 2 11 GLN HB3 2 13 TYR QE 3.000 . 6.000 1.923 1.923 1.923 . 0 0 "[ ]" 3
226 2 12 THR MG 2 13 TYR QE 3.800 . 6.000 6.032 6.032 6.032 0.032 1 0 "[ ]" 3
227 2 13 TYR QE 2 37 VAL MG2 2.700 . 3.600 2.846 2.846 2.846 . 0 0 "[ ]" 3
228 1 12 PRO QB 2 131 TYR QE 2.400 . 6.000 3.659 3.659 3.659 . 0 0 "[ ]" 3
229 1 11 ASN HA 2 131 TYR QE 3.700 . 5.400 3.822 3.822 3.822 . 0 0 "[ ]" 3
230 1 12 PRO HD3 2 131 TYR QE 2.900 . 4.000 2.294 2.294 2.294 . 0 0 "[ ]" 3
231 2 89 TYR HB2 2 131 TYR QE 2.600 . 6.000 1.735 1.735 1.735 . 0 0 "[ ]" 3
232 2 87 LYS HD2 2 131 TYR QE 2.400 . 6.000 3.803 3.803 3.803 . 0 0 "[ ]" 3
233 1 12 PRO HG2 2 131 TYR QE 2.700 . 6.000 3.095 3.095 3.095 . 0 0 "[ ]" 3
234 2 128 PRO HB2 2 131 TYR QE 3.000 . 6.000 4.059 4.059 4.059 . 0 0 "[ ]" 3
235 2 128 PRO HB3 2 131 TYR QE 3.100 . 6.000 4.262 4.262 4.262 . 0 0 "[ ]" 3
236 2 78 TYR HA 2 78 TYR QE 3.500 . 5.000 4.179 4.179 4.179 . 0 0 "[ ]" 3
237 2 78 TYR QE 2 119 ARG HD2 3.500 . 5.100 4.921 4.921 4.921 . 0 0 "[ ]" 3
238 2 78 TYR QE 2 108 ILE MD 3.100 . 6.000 2.101 2.101 2.101 . 0 0 "[ ]" 3
239 2 89 TYR QE 2 96 GLU HB2 2.900 . 3.900 3.269 3.269 3.269 . 0 0 "[ ]" 3
240 2 89 TYR QE 2 91 ALA MB 3.400 . 4.800 3.634 3.634 3.634 . 0 0 "[ ]" 3
241 2 83 TYR QE 2 116 TRP HZ3 3.200 . 4.500 1.877 1.877 1.877 0.023 1 0 "[ ]" 3
242 2 82 PRO HA 2 83 TYR QE 3.800 . 5.600 5.095 5.095 5.095 . 0 0 "[ ]" 3
243 2 82 PRO HB3 2 83 TYR QE 3.000 . 6.000 5.687 5.687 5.687 . 0 0 "[ ]" 3
244 2 83 TYR QE 2 107 VAL HB 3.300 . 4.600 3.749 3.749 3.749 . 0 0 "[ ]" 3
245 2 83 TYR QE 2 134 LYS HB3 3.700 . 5.400 2.774 2.774 2.774 . 0 0 "[ ]" 3
246 2 83 TYR QE 2 107 VAL MG2 3.200 . 4.500 3.327 3.327 3.327 . 0 0 "[ ]" 3
247 1 14 PRO HD2 2 45 TRP HZ2 3.900 . 5.800 4.051 4.051 4.051 . 0 0 "[ ]" 3
248 1 13 PRO HB3 2 45 TRP HZ2 3.700 . 5.400 3.631 3.631 3.631 . 0 0 "[ ]" 3
249 1 9 PRO HB2 2 45 TRP HZ2 3.300 . 4.600 3.719 3.719 3.719 . 0 0 "[ ]" 3
250 1 13 PRO HB2 2 45 TRP HZ2 4.700 . 6.000 4.847 4.847 4.847 . 0 0 "[ ]" 3
251 1 8 PRO HB3 2 56 TRP HZ2 3.700 . 5.500 4.588 4.588 4.588 . 0 0 "[ ]" 3
252 1 6 LYS HA 2 56 TRP HZ2 4.100 . 6.000 3.836 3.836 3.836 . 0 0 "[ ]" 3
253 1 8 PRO HD3 2 56 TRP HZ2 3.200 . 4.500 4.505 4.505 4.505 0.005 1 0 "[ ]" 3
254 1 8 PRO HA 2 56 TRP HZ2 3.400 . 4.900 3.434 3.434 3.434 . 0 0 "[ ]" 3
255 1 6 LYS HB3 2 56 TRP HZ2 2.800 . 3.800 1.828 1.828 1.828 . 0 0 "[ ]" 3
256 1 6 LYS HD2 2 56 TRP HZ2 3.400 . 4.900 3.364 3.364 3.364 . 0 0 "[ ]" 3
257 2 47 PHE HB2 2 56 TRP HZ2 3.600 . 5.300 4.043 4.043 4.043 . 0 0 "[ ]" 3
258 2 109 HIS HD2 2 110 LYS QD 3.700 . 5.400 3.005 3.005 3.005 . 0 0 "[ ]" 3
259 2 109 HIS HD2 2 110 LYS HB2 4.200 . 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 3
260 2 109 HIS HB3 2 109 HIS HD2 3.600 . 5.200 3.837 3.837 3.837 . 0 0 "[ ]" 3
261 2 109 HIS HD2 2 111 LEU HB3 3.900 . 5.800 5.815 5.815 5.815 0.015 1 0 "[ ]" 3
262 2 76 PRO HA 2 109 HIS HD2 2.800 . 3.800 2.572 2.572 2.572 . 0 0 "[ ]" 3
263 2 42 GLU HB3 2 116 TRP HZ2 3.300 . 4.600 4.092 4.092 4.092 . 0 0 "[ ]" 3
264 2 42 GLU HA 2 116 TRP HZ2 4.400 . 6.000 4.878 4.878 4.878 . 0 0 "[ ]" 3
265 2 116 TRP HZ2 2 129 SER HB3 3.600 . 5.200 3.994 3.994 3.994 . 0 0 "[ ]" 3
266 2 110 LYS HB3 2 116 TRP HZ2 2.700 . 3.600 3.050 3.050 3.050 . 0 0 "[ ]" 3
267 2 110 LYS HB2 2 116 TRP HZ2 3.700 . 5.500 4.443 4.443 4.443 . 0 0 "[ ]" 3
268 2 46 TRP HZ2 2 112 LEU HA 4.900 . 6.000 5.956 5.956 5.956 . 0 0 "[ ]" 3
269 2 115 TRP HZ2 2 128 PRO HG3 3.300 . 4.700 3.715 3.715 3.715 . 0 0 "[ ]" 3
270 2 40 LYS HE3 2 46 TRP HZ2 3.100 . 6.000 5.305 5.305 5.305 . 0 0 "[ ]" 3
271 2 46 TRP HZ2 2 112 LEU HG 2.900 . 4.000 2.446 2.446 2.446 . 0 0 "[ ]" 3
272 2 46 TRP HZ2 2 112 LEU HB2 3.600 . 5.200 4.377 4.377 4.377 . 0 0 "[ ]" 3
273 1 16 PRO HA 2 60 SER QB 2.000 . 5.000 2.541 2.541 2.541 . 0 0 "[ ]" 3
274 1 13 PRO QB 2 58 PRO HA 2.000 . 5.000 2.428 2.428 2.428 . 0 0 "[ ]" 3
275 1 8 PRO HA 2 45 TRP QB 2.000 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 3
276 1 9 PRO QB 2 45 TRP HE3 2.000 . 5.000 5.044 5.044 5.044 0.044 1 0 "[ ]" 3
277 1 12 PRO QG 2 128 PRO QB 2.000 . 5.000 2.119 2.119 2.119 . 0 0 "[ ]" 3
278 1 12 PRO QD 2 130 MET QG 2.000 . 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 3
279 1 14 PRO QD 2 58 PRO QG 2.000 . 5.000 2.354 2.354 2.354 . 0 0 "[ ]" 3
280 1 14 PRO QG 2 58 PRO QG 2.000 . 5.000 2.827 2.827 2.827 . 0 0 "[ ]" 3
281 1 14 PRO QG 2 58 PRO QB 2.000 . 5.000 3.353 3.353 3.353 . 0 0 "[ ]" 3
282 1 14 PRO QG 2 61 PHE HZ 2.000 . 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 3
283 1 12 PRO QG 2 128 PRO QG 2.000 . 5.000 2.181 2.181 2.181 . 0 0 "[ ]" 3
284 1 17 PRO HA 2 17 ALA MB 2.000 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 3
285 1 12 PRO QD 2 130 MET ME 2.000 . 5.000 2.784 2.784 2.784 . 0 0 "[ ]" 3
286 1 13 PRO QD 2 130 MET ME 2.000 . 5.000 2.813 2.813 2.813 . 0 0 "[ ]" 3
287 1 8 PRO QB 2 130 MET ME 2.000 . 6.000 3.225 3.225 3.225 . 0 0 "[ ]" 3
288 1 9 PRO QB 2 130 MET ME 2.000 . 6.000 3.758 3.758 3.758 . 0 0 "[ ]" 3
289 1 17 PRO HA 2 16 ILE MD 2.000 . 6.000 5.623 5.623 5.623 . 0 0 "[ ]" 3
290 1 17 PRO QD 2 16 ILE MD 2.000 . 6.000 3.143 3.143 3.143 . 0 0 "[ ]" 3
291 1 16 PRO HA 2 61 PHE HA 2.000 . 5.000 3.472 3.472 3.472 . 0 0 "[ ]" 3
292 1 16 PRO QB 2 60 SER QB 2.000 . 3.000 2.983 2.983 2.983 . 0 0 "[ ]" 3
293 1 17 PRO QB 2 17 ALA MB 2.000 . 3.000 2.553 2.553 2.553 . 0 0 "[ ]" 3
294 2 117 VAL HB 2 124 THR HB 4.300 . 6.000 3.828 3.828 3.828 . 0 0 "[ ]" 3
295 2 82 PRO HA 2 82 PRO HB2 2.900 . 3.900 2.692 2.692 2.692 . 0 0 "[ ]" 3
296 2 123 VAL HA 2 123 VAL MG1 2.500 . 3.300 2.393 2.393 2.393 . 0 0 "[ ]" 3
297 1 15 ARG HA 1 16 PRO HA 3.300 . 4.700 2.550 2.550 2.550 . 0 0 "[ ]" 3
298 1 13 PRO HB3 2 58 PRO HA 3.100 . 4.300 2.127 2.127 2.127 . 0 0 "[ ]" 3
299 1 8 PRO HA 1 8 PRO QD 3.900 . 5.800 3.284 3.284 3.284 . 0 0 "[ ]" 3
300 2 12 THR HA 2 36 GLU HB3 4.100 . 6.000 4.827 4.827 4.827 . 0 0 "[ ]" 3
301 2 12 THR HA 2 35 VAL MG2 3.400 . 4.800 3.685 3.685 3.685 . 0 0 "[ ]" 3
302 2 97 VAL MG2 2 126 TYR HA 3.100 . 4.300 3.270 3.270 3.270 . 0 0 "[ ]" 3
303 2 84 VAL HA 2 85 ALA MB 3.400 . 4.900 2.994 2.994 2.994 . 0 0 "[ ]" 3
304 2 84 VAL HA 2 105 VAL MG1 3.500 . 5.000 3.181 3.181 3.181 . 0 0 "[ ]" 3
305 2 86 ILE HA 2 101 GLU HA 3.100 . 4.300 3.646 3.646 3.646 . 0 0 "[ ]" 3
306 2 35 VAL HA 2 48 CYS HB2 3.000 . 4.100 2.859 2.859 2.859 . 0 0 "[ ]" 3
307 2 27 MET HG2 2 57 ILE HA 4.000 . 6.000 3.509 3.509 3.509 . 0 0 "[ ]" 3
308 2 19 TYR HA 2 20 GLU HB2 4.500 . 6.000 4.026 4.026 4.026 . 0 0 "[ ]" 3
309 2 19 TYR HA 2 29 LEU MD1 4.400 . 6.000 5.845 5.845 5.845 . 0 0 "[ ]" 3
310 2 47 PHE HA 2 48 CYS HA 2.800 . 3.800 2.630 2.630 2.630 . 0 0 "[ ]" 3
311 2 91 ALA MB 2 98 SER HA 3.900 . 5.800 3.165 3.165 3.165 . 0 0 "[ ]" 3
312 2 97 VAL MG1 2 98 SER HA 4.100 . 6.000 4.200 4.200 4.200 . 0 0 "[ ]" 3
313 2 45 TRP HE3 2 56 TRP HA 4.200 . 6.000 3.769 3.769 3.769 . 0 0 "[ ]" 3
314 2 27 MET HG2 2 56 TRP HA 3.700 . 5.400 3.821 3.821 3.821 . 0 0 "[ ]" 3
315 2 35 VAL HB 2 48 CYS HA 3.700 . 5.400 3.980 3.980 3.980 . 0 0 "[ ]" 3
316 2 27 MET ME 2 48 CYS HA 3.600 . 5.200 4.256 4.256 4.256 . 0 0 "[ ]" 3
317 2 11 GLN HB3 2 13 TYR HA 3.700 . 6.000 5.908 5.908 5.908 . 0 0 "[ ]" 3
318 2 33 ASP HA 2 34 VAL MG2 3.400 . 4.900 3.459 3.459 3.459 . 0 0 "[ ]" 3
319 2 86 ILE HA 2 87 LYS HA 3.600 . 5.200 3.914 3.914 3.914 . 0 0 "[ ]" 3
320 2 105 VAL HB 2 119 ARG HA 4.000 . 6.000 5.451 5.451 5.451 . 0 0 "[ ]" 3
321 2 119 ARG HA 2 123 VAL MG1 3.200 . 4.500 3.135 3.135 3.135 . 0 0 "[ ]" 3
322 2 12 THR HB 2 36 GLU HA 3.000 . 6.000 4.821 4.821 4.821 . 0 0 "[ ]" 3
323 2 106 GLU HA 2 107 VAL MG2 4.000 . 6.000 3.722 3.722 3.722 . 0 0 "[ ]" 3
324 2 15 ALA MB 2 62 LEU HA 3.100 . 4.300 2.663 2.663 2.663 . 0 0 "[ ]" 3
325 2 29 LEU MD2 2 62 LEU HA 3.600 . 5.200 3.406 3.406 3.406 . 0 0 "[ ]" 3
326 2 86 ILE MD 2 131 TYR HA 2.700 . 3.600 2.496 2.496 2.496 . 0 0 "[ ]" 3
327 2 88 ALA MB 2 100 LEU HA 2.300 . 3.000 2.413 2.413 2.413 . 0 0 "[ ]" 3
328 2 84 VAL HB 2 85 ALA HA 3.800 . 5.600 3.331 3.331 3.331 . 0 0 "[ ]" 3
329 2 85 ALA HA 2 86 ILE MG 3.700 . 5.400 3.588 3.588 3.588 . 0 0 "[ ]" 3
330 2 15 ALA MB 2 28 ALA HA 3.700 . 5.400 5.414 5.414 5.414 0.014 1 0 "[ ]" 3
331 2 28 ALA HA 2 29 LEU MD1 4.000 . 6.000 4.198 4.198 4.198 . 0 0 "[ ]" 3
332 2 82 PRO HA 2 82 PRO HD3 2.900 . 4.000 3.769 3.769 3.769 . 0 0 "[ ]" 3
333 2 82 PRO HA 2 82 PRO HD2 3.000 . 4.100 3.866 3.866 3.866 . 0 0 "[ ]" 3
334 1 11 ASN HA 1 12 PRO QB 4.500 . 6.000 3.698 3.698 3.698 . 0 0 "[ ]" 3
335 1 15 ARG HB3 1 16 PRO HD3 3.400 . 4.800 2.993 2.993 2.993 . 0 0 "[ ]" 3
336 1 15 ARG HB3 1 16 PRO HD2 2.900 . 3.900 2.205 2.205 2.205 . 0 0 "[ ]" 3
337 2 115 TRP HZ3 2 128 PRO HD2 4.000 . 6.000 3.304 3.304 3.304 . 0 0 "[ ]" 3
338 2 42 GLU HG2 2 110 LYS HB3 3.800 . 5.600 3.544 3.544 3.544 . 0 0 "[ ]" 3
339 2 42 GLU HG2 2 110 LYS HB3 3.800 . 5.600 3.759 3.759 3.759 . 0 0 "[ ]" 3
340 1 17 PRO HA 1 19 GLU HG3 3.900 . 5.800 3.932 3.932 3.932 . 0 0 "[ ]" 3
341 1 17 PRO HA 1 19 GLU HG2 3.400 . 4.800 4.809 4.809 4.809 0.009 1 0 "[ ]" 3
342 2 104 ALA HA 2 105 VAL HB 3.000 . 4.100 4.307 4.307 4.307 0.207 1 0 "[ ]" 3
343 2 84 VAL HB 2 85 ALA MB 3.400 . 4.900 3.855 3.855 3.855 . 0 0 "[ ]" 3
344 2 84 VAL HB 2 105 VAL MG1 4.000 . 6.000 5.149 5.149 5.149 . 0 0 "[ ]" 3
345 2 86 ILE HA 2 87 LYS HB3 3.900 . 5.800 4.553 4.553 4.553 . 0 0 "[ ]" 3
346 2 109 HIS HB3 2 110 LYS QD 3.900 . 5.800 3.835 3.835 3.835 . 0 0 "[ ]" 3
347 2 108 ILE HG12 2 109 HIS HB2 4.400 . 6.000 4.835 4.835 4.835 . 0 0 "[ ]" 3
348 2 108 ILE MG 2 109 HIS HB2 3.500 . 5.000 3.341 3.341 3.341 . 0 0 "[ ]" 3
349 2 43 SER HB3 2 130 MET HB2 2.500 . 3.300 2.576 2.576 2.576 . 0 0 "[ ]" 3
350 2 49 GLN HA 2 54 ARG HB3 2.400 . 3.100 1.758 1.758 1.758 . 0 0 "[ ]" 3
351 2 49 GLN HA 2 54 ARG HB2 3.000 . 4.100 2.158 2.158 2.158 . 0 0 "[ ]" 3
352 2 43 SER HB3 2 130 MET HB3 2.700 . 3.600 2.208 2.208 2.208 . 0 0 "[ ]" 3
353 2 89 TYR QE 2 96 GLU HB3 3.600 . 5.200 2.933 2.933 2.933 . 0 0 "[ ]" 3
354 2 89 TYR QE 2 96 GLU HB2 3.900 . 5.800 3.507 3.507 3.507 . 0 0 "[ ]" 3
355 1 7 GLN QG 1 8 PRO HG2 3.900 . 5.800 5.081 5.081 5.081 . 0 0 "[ ]" 3
356 2 49 GLN HA 2 49 GLN HB2 2.800 . 3.800 2.376 2.376 2.376 . 0 0 "[ ]" 3
357 2 49 GLN HB2 2 50 MET HB2 3.000 . 6.000 6.166 6.166 6.166 0.166 1 0 "[ ]" 3
358 2 27 MET HB3 2 50 MET HG3 3.800 . 5.600 5.377 5.377 5.377 . 0 0 "[ ]" 3
359 2 27 MET HB2 2 50 MET HG3 3.600 . 5.200 4.616 4.616 4.616 . 0 0 "[ ]" 3
360 2 50 MET HG3 2 51 LYS HG3 4.000 . 6.000 5.048 5.048 5.048 . 0 0 "[ ]" 3
361 2 27 MET HB2 2 50 MET HG2 3.900 . 5.800 5.460 5.460 5.460 . 0 0 "[ ]" 3
362 2 17 ALA MB 2 58 PRO HB2 4.500 . 6.000 5.760 5.760 5.760 . 0 0 "[ ]" 3
363 2 42 GLU QB 2 112 LEU MD2 3.700 . 5.400 3.413 3.413 3.413 . 0 0 "[ ]" 3
364 2 43 SER HB3 2 130 MET HG2 3.300 . 4.700 3.493 3.493 3.493 . 0 0 "[ ]" 3
365 1 12 PRO HG2 2 130 MET HG2 4.000 . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 3
366 2 43 SER HB3 2 130 MET HG3 3.300 . 4.600 3.971 3.971 3.971 . 0 0 "[ ]" 3
367 1 13 PRO HB3 1 14 PRO HG3 4.400 . 6.000 4.791 4.791 4.791 . 0 0 "[ ]" 3
368 2 49 GLN HA 2 54 ARG HG2 3.200 . 4.500 3.459 3.459 3.459 . 0 0 "[ ]" 3
369 2 49 GLN HA 2 54 ARG HG3 2.800 . 3.800 3.656 3.656 3.656 . 0 0 "[ ]" 3
370 2 86 ILE HB 2 132 LEU HG 3.600 . 6.000 5.515 5.515 5.515 . 0 0 "[ ]" 3
371 1 7 GLN HG2 1 8 PRO HG2 3.800 . 5.600 3.508 3.508 3.508 . 0 0 "[ ]" 3
372 2 13 TYR HA 2 62 LEU MD1 2.700 . 6.000 4.442 4.442 4.442 . 0 0 "[ ]" 3
373 2 37 VAL HA 2 62 LEU MD1 3.100 . 6.000 5.079 5.079 5.079 . 0 0 "[ ]" 3
374 2 13 TYR HB3 2 62 LEU MD1 2.800 . 3.800 2.508 2.508 2.508 . 0 0 "[ ]" 3
375 2 50 MET ME 2 62 LEU MD1 3.700 . 5.400 5.143 5.143 5.143 . 0 0 "[ ]" 3
376 1 13 PRO HD2 2 128 PRO HG3 4.000 . 6.000 5.001 5.001 5.001 . 0 0 "[ ]" 3
377 2 115 TRP HZ3 2 128 PRO HG3 4.000 . 6.000 3.891 3.891 3.891 . 0 0 "[ ]" 3
378 2 115 TRP HZ3 2 128 PRO HG2 3.300 . 4.700 3.146 3.146 3.146 . 0 0 "[ ]" 3
379 1 13 PRO HD2 2 128 PRO HG2 4.100 . 6.000 4.670 4.670 4.670 . 0 0 "[ ]" 3
380 2 19 TYR HB3 2 29 LEU MD2 2.700 . 3.600 2.760 2.760 2.760 . 0 0 "[ ]" 3
381 2 99 LEU HA 2 99 LEU MD2 3.200 . 4.500 3.468 3.468 3.468 . 0 0 "[ ]" 3
382 2 99 LEU MD2 2 103 GLU HB3 3.400 . 4.800 2.074 2.074 2.074 . 0 0 "[ ]" 3
383 2 99 LEU MD2 2 101 GLU HB2 3.600 . 5.200 4.832 4.832 4.832 . 0 0 "[ ]" 3
384 2 98 SER HA 2 99 LEU MD2 4.100 . 6.000 4.965 4.965 4.965 . 0 0 "[ ]" 3
385 2 99 LEU MD2 2 127 PHE HB3 3.900 . 5.800 4.562 4.562 4.562 . 0 0 "[ ]" 3
386 2 21 LYS QG 2 27 MET HA 2.800 . 3.800 2.623 2.623 2.623 . 0 0 "[ ]" 3
387 2 27 MET HA 2 29 LEU MD1 3.200 . 6.000 4.732 4.732 4.732 . 0 0 "[ ]" 3
388 2 19 TYR HB3 2 29 LEU MD1 2.900 . 3.900 3.145 3.145 3.145 . 0 0 "[ ]" 3
389 2 27 MET HG3 2 29 LEU MD1 3.200 . 4.500 3.462 3.462 3.462 . 0 0 "[ ]" 3
390 2 15 ALA MB 2 29 LEU MD1 2.500 . 3.300 2.552 2.552 2.552 . 0 0 "[ ]" 3
391 2 27 MET HB2 2 29 LEU MD1 3.000 . 6.000 4.176 4.176 4.176 . 0 0 "[ ]" 3
392 2 12 THR HA 2 65 LEU MD1 2.400 . 6.000 4.120 4.120 4.120 . 0 0 "[ ]" 3
393 2 99 LEU MD1 2 103 GLU HA 4.000 . 6.000 5.752 5.752 5.752 . 0 0 "[ ]" 3
394 2 99 LEU MD1 2 103 GLU HB3 3.100 . 4.300 3.019 3.019 3.019 . 0 0 "[ ]" 3
395 2 99 LEU MD1 2 104 ALA MB 2.900 . 6.000 5.745 5.745 5.745 . 0 0 "[ ]" 3
396 2 88 ALA HA 2 99 LEU MD1 4.100 . 6.000 4.454 4.454 4.454 . 0 0 "[ ]" 3
397 2 84 VAL HA 2 105 VAL MG2 3.600 . 5.200 5.314 5.314 5.314 0.114 1 0 "[ ]" 3
398 2 107 VAL MG2 2 109 HIS HB2 3.800 . 5.600 4.643 4.643 4.643 . 0 0 "[ ]" 3
399 2 106 GLU HA 2 107 VAL MG2 3.800 . 5.600 3.717 3.717 3.717 . 0 0 "[ ]" 3
400 2 12 THR MG 2 37 VAL HA 4.500 . 6.000 6.090 6.090 6.090 0.090 1 0 "[ ]" 3
401 2 13 TYR HB3 2 37 VAL MG2 3.100 . 4.300 3.500 3.500 3.500 . 0 0 "[ ]" 3
402 2 82 PRO HA 2 107 VAL MG1 4.100 . 6.000 5.116 5.116 5.116 . 0 0 "[ ]" 3
403 2 14 ARG HD3 2 62 LEU MD2 3.100 . 6.000 4.940 4.940 4.940 . 0 0 "[ ]" 3
404 2 15 ALA MB 2 62 LEU MD2 2.400 . 3.100 2.183 2.183 2.183 . 0 0 "[ ]" 3
405 1 11 ASN HB2 2 22 THR MG 3.100 . 6.000 3.455 3.455 3.455 . 0 0 "[ ]" 3
406 1 14 PRO HG3 2 22 THR MG 2.700 . 6.000 4.581 4.581 4.581 . 0 0 "[ ]" 3
407 2 17 ALA MB 2 18 ASP HA 3.900 . 5.800 3.977 3.977 3.977 . 0 0 "[ ]" 3
408 1 16 PRO HA 2 17 ALA MB 3.200 . 4.500 4.238 4.238 4.238 . 0 0 "[ ]" 3
409 2 15 ALA HA 2 35 VAL MG1 3.600 . 5.200 4.884 4.884 4.884 . 0 0 "[ ]" 3
410 2 13 TYR HB3 2 35 VAL MG1 4.000 . 6.000 5.068 5.068 5.068 . 0 0 "[ ]" 3
411 2 111 LEU MD1 2 117 VAL MG2 2.600 . 3.500 3.592 3.592 3.592 0.092 1 0 "[ ]" 3
412 2 27 MET ME 2 37 VAL MG1 4.100 . 6.000 5.521 5.521 5.521 . 0 0 "[ ]" 3
413 2 37 VAL MG1 2 39 GLU QG 3.000 . 6.000 4.391 4.391 4.391 . 0 0 "[ ]" 3
414 2 88 ALA MB 2 90 THR MG 4.100 . 6.000 5.162 5.162 5.162 . 0 0 "[ ]" 3
415 2 48 CYS HB2 2 57 ILE MG 3.700 . 5.400 4.470 4.470 4.470 . 0 0 "[ ]" 3
416 2 27 MET HG3 2 57 ILE MG 2.500 . 3.300 1.885 1.885 1.885 . 0 0 "[ ]" 3
417 2 38 VAL MG2 2 49 GLN HA 4.500 . 6.000 5.533 5.533 5.533 . 0 0 "[ ]" 3
418 2 14 ARG HB2 2 34 VAL MG2 3.100 . 4.300 3.298 3.298 3.298 . 0 0 "[ ]" 3
419 2 34 VAL MG2 2 65 LEU HB3 3.200 . 4.500 3.393 3.393 3.393 . 0 0 "[ ]" 3
420 2 97 VAL MG1 2 123 VAL HB 3.300 . 4.700 3.287 3.287 3.287 . 0 0 "[ ]" 3
421 2 91 ALA MB 2 99 LEU MD1 4.100 . 6.000 5.128 5.128 5.128 . 0 0 "[ ]" 3
422 2 84 VAL MG1 2 105 VAL HA 3.600 . 5.200 4.604 4.604 4.604 . 0 0 "[ ]" 3
423 2 38 VAL MG1 2 49 GLN HA 3.400 . 4.800 3.468 3.468 3.468 . 0 0 "[ ]" 3
424 2 15 ALA MB 2 29 LEU HA 3.500 . 5.100 3.940 3.940 3.940 . 0 0 "[ ]" 3
425 2 15 ALA MB 2 32 GLY HA2 3.600 . 5.200 4.414 4.414 4.414 . 0 0 "[ ]" 3
426 2 15 ALA MB 2 30 SER HB3 3.900 . 5.800 4.946 4.946 4.946 . 0 0 "[ ]" 3
427 2 15 ALA MB 2 50 MET ME 4.000 . 6.000 4.295 4.295 4.295 . 0 0 "[ ]" 3
428 2 15 ALA MB 2 34 VAL MG2 2.600 . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 3
429 2 20 GLU HB3 2 28 ALA MB 2.300 . 6.000 4.147 4.147 4.147 . 0 0 "[ ]" 3
430 2 28 ALA MB 2 29 LEU MD1 3.600 . 5.200 4.383 4.383 4.383 . 0 0 "[ ]" 3
431 2 12 THR HA 2 35 VAL MG2 3.600 . 5.200 3.777 3.777 3.777 . 0 0 "[ ]" 3
432 2 13 TYR HB2 2 35 VAL MG2 2.600 . 3.500 2.105 2.105 2.105 . 0 0 "[ ]" 3
433 2 27 MET ME 2 35 VAL MG2 3.100 . 4.300 3.704 3.704 3.704 . 0 0 "[ ]" 3
434 1 19 GLU HG3 1 20 ALA MB 3.000 . 6.000 3.591 3.591 3.591 . 0 0 "[ ]" 3
435 1 17 PRO HB3 1 20 ALA MB 3.700 . 5.400 4.117 4.117 4.117 . 0 0 "[ ]" 3
436 2 107 VAL HA 2 118 ILE MG 3.000 . 4.100 3.829 3.829 3.829 . 0 0 "[ ]" 3
437 2 83 TYR QB 2 118 ILE MG 3.800 . 5.600 4.470 4.470 4.470 . 0 0 "[ ]" 3
438 2 85 ALA MB 2 86 ILE MG 3.700 . 5.400 3.672 3.672 3.672 . 0 0 "[ ]" 3
439 2 15 ALA HA 2 16 ILE MG 3.300 . 4.700 3.349 3.349 3.349 . 0 0 "[ ]" 3
440 2 16 ILE MG 2 60 SER HA 3.900 . 5.800 5.821 5.821 5.821 0.021 1 0 "[ ]" 3
441 2 14 ARG HD3 2 16 ILE MG 3.400 . 4.900 3.622 3.622 3.622 . 0 0 "[ ]" 3
442 2 85 ALA MB 2 86 ILE HA 3.200 . 4.500 3.840 3.840 3.840 . 0 0 "[ ]" 3
443 2 85 ALA MB 2 89 TYR HB2 4.100 . 6.000 5.575 5.575 5.575 . 0 0 "[ ]" 3
444 2 85 ALA MB 2 105 VAL MG1 2.800 . 3.800 2.973 2.973 2.973 . 0 0 "[ ]" 3
445 2 85 ALA MB 2 86 ILE MG 3.400 . 4.800 4.056 4.056 4.056 . 0 0 "[ ]" 3
446 1 17 PRO HD2 1 18 ALA MB 3.600 . 5.200 3.345 3.345 3.345 . 0 0 "[ ]" 3
447 1 17 PRO HB3 1 18 ALA MB 4.600 . 6.000 4.207 4.207 4.207 . 0 0 "[ ]" 3
448 2 84 VAL HA 2 105 VAL MG1 3.100 . 4.300 3.070 3.070 3.070 . 0 0 "[ ]" 3
449 2 104 ALA HA 2 105 VAL MG1 3.100 . 4.300 2.985 2.985 2.985 . 0 0 "[ ]" 3
450 2 82 PRO HB3 2 105 VAL MG1 4.100 . 6.000 5.220 5.220 5.220 . 0 0 "[ ]" 3
451 2 84 VAL HB 2 105 VAL MG1 3.200 . 4.500 3.857 3.857 3.857 . 0 0 "[ ]" 3
452 2 99 LEU HB3 2 105 VAL MG1 3.000 . 4.100 2.769 2.769 2.769 . 0 0 "[ ]" 3
453 2 85 ALA MB 2 105 VAL MG1 3.000 . 4.100 3.115 3.115 3.115 . 0 0 "[ ]" 3
454 2 15 ALA HA 2 50 MET ME 3.200 . 6.000 4.827 4.827 4.827 . 0 0 "[ ]" 3
455 2 27 MET HA 2 50 MET ME 2.300 . 6.000 4.317 4.317 4.317 . 0 0 "[ ]" 3
456 2 27 MET ME 2 48 CYS HA 3.000 . 6.000 4.505 4.505 4.505 . 0 0 "[ ]" 3
457 2 27 MET ME 2 49 GLN HA 2.300 . 3.000 2.698 2.698 2.698 . 0 0 "[ ]" 3
458 2 27 MET ME 2 35 VAL HA 3.300 . 4.600 4.141 4.141 4.141 . 0 0 "[ ]" 3
459 2 27 MET HA 2 27 MET ME 3.400 . 4.900 3.993 3.993 3.993 . 0 0 "[ ]" 3
460 2 45 TRP HE3 2 130 MET ME 2.700 . 6.000 4.467 4.467 4.467 . 0 0 "[ ]" 3
461 1 8 PRO HB2 2 130 MET ME 3.000 . 4.200 3.231 3.231 3.231 . 0 0 "[ ]" 3
462 2 99 LEU HA 2 118 ILE MD 3.900 . 5.800 4.202 4.202 4.202 . 0 0 "[ ]" 3
463 2 97 VAL MG1 2 118 ILE MD 2.200 . 2.800 2.073 2.073 2.073 . 0 0 "[ ]" 3
464 2 78 TYR HB3 2 108 ILE MG 3.600 . 5.200 3.828 3.828 3.828 . 0 0 "[ ]" 3
465 2 108 ILE MG 2 117 VAL HB 3.800 . 5.700 4.344 4.344 4.344 . 0 0 "[ ]" 3
466 1 13 PRO HD3 2 59 ALA MB 4.300 . 6.000 5.910 5.910 5.910 . 0 0 "[ ]" 3
467 2 58 PRO HB2 2 59 ALA MB 3.900 . 5.800 3.835 3.835 3.835 . 0 0 "[ ]" 3
468 2 58 PRO HB3 2 59 ALA MB 4.000 . 6.000 3.676 3.676 3.676 . 0 0 "[ ]" 3
469 2 48 CYS HA 2 57 ILE MD 2.600 . 6.000 4.075 4.075 4.075 . 0 0 "[ ]" 3
470 2 15 ALA HA 2 57 ILE MD 3.800 . 5.600 5.329 5.329 5.329 . 0 0 "[ ]" 3
471 2 37 VAL HA 2 57 ILE MD 3.100 . 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 3
472 2 38 VAL HB 2 57 ILE MD 2.700 . 6.000 5.694 5.694 5.694 . 0 0 "[ ]" 3
473 2 27 MET ME 2 57 ILE MD 2.300 . 3.000 1.860 1.860 1.860 . 0 0 "[ ]" 3
474 1 16 PRO HA 2 16 ILE MD 2.900 . 6.000 4.896 4.896 4.896 . 0 0 "[ ]" 3
475 1 19 GLU HA 2 16 ILE MD 3.000 . 6.000 5.284 5.284 5.284 . 0 0 "[ ]" 3
476 2 16 ILE MD 2 31 THR HB 4.100 . 6.000 5.980 5.980 5.980 . 0 0 "[ ]" 3
477 1 17 PRO HD3 2 16 ILE MD 3.400 . 4.800 3.685 3.685 3.685 . 0 0 "[ ]" 3
478 1 19 GLU HG3 2 16 ILE MD 3.200 . 4.500 3.623 3.623 3.623 . 0 0 "[ ]" 3
479 2 78 TYR HA 2 108 ILE MD 3.000 . 4.100 3.218 3.218 3.218 . 0 0 "[ ]" 3
480 2 78 TYR HB2 2 108 ILE MD 3.200 . 6.000 5.230 5.230 5.230 . 0 0 "[ ]" 3
481 2 108 ILE MD 2 109 HIS HB2 3.000 . 6.000 5.667 5.667 5.667 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 0.402
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0365
_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
2 13 TYR 0.000 0.000 . 0 "[ ]"
2 14 ARG 0.014 0.014 1 0 "[ ]"
2 35 VAL 0.000 0.000 . 0 "[ ]"
2 36 GLU 0.049 0.049 1 0 "[ ]"
2 39 GLU 0.000 0.000 . 0 "[ ]"
2 46 TRP 0.000 0.000 . 0 "[ ]"
2 47 PHE 0.000 0.000 . 0 "[ ]"
2 48 CYS 0.094 0.094 1 0 "[ ]"
2 49 GLN 0.049 0.049 1 0 "[ ]"
2 50 MET 0.000 0.000 . 0 "[ ]"
2 53 LYS 0.000 0.000 . 0 "[ ]"
2 55 GLY 0.094 0.094 1 0 "[ ]"
2 57 ILE 0.000 0.000 . 0 "[ ]"
2 63 GLU 0.014 0.014 1 0 "[ ]"
2 83 TYR 0.013 0.010 1 0 "[ ]"
2 84 VAL 0.000 0.000 . 0 "[ ]"
2 89 TYR 0.000 0.000 . 0 "[ ]"
2 99 LEU 0.000 0.000 . 0 "[ ]"
2 105 VAL 0.013 0.010 1 0 "[ ]"
2 106 GLU 0.007 0.007 1 0 "[ ]"
2 109 HIS 0.025 0.025 1 0 "[ ]"
2 116 TRP 0.091 0.065 1 0 "[ ]"
2 117 VAL 0.025 0.025 1 0 "[ ]"
2 118 ILE 0.107 0.103 1 0 "[ ]"
2 119 ARG 0.007 0.007 1 0 "[ ]"
2 125 GLY 0.107 0.103 1 0 "[ ]"
2 127 PHE 0.091 0.065 1 0 "[ ]"
2 133 GLN 0.000 0.000 . 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 2 13 TYR H 2 35 VAL O 1.800 . 2.300 2.228 2.228 2.228 . 0 0 "[ ]" 4
2 2 13 TYR N 2 35 VAL O 2.800 2.800 3.300 3.042 3.042 3.042 . 0 0 "[ ]" 4
3 2 14 ARG H 2 63 GLU O 1.800 . 2.300 1.927 1.927 1.927 . 0 0 "[ ]" 4
4 2 14 ARG N 2 63 GLU O 2.800 2.800 3.300 2.786 2.786 2.786 0.014 1 0 "[ ]" 4
5 2 13 TYR O 2 35 VAL H 1.800 . 2.300 1.951 1.951 1.951 . 0 0 "[ ]" 4
6 2 13 TYR O 2 35 VAL N 2.800 2.800 3.300 2.885 2.885 2.885 . 0 0 "[ ]" 4
7 2 39 GLU H 2 47 PHE O 1.800 . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 4
8 2 39 GLU N 2 47 PHE O 2.800 2.800 3.300 3.049 3.049 3.049 . 0 0 "[ ]" 4
9 2 36 GLU H 2 49 GLN O 1.800 . 2.300 2.349 2.349 2.349 0.049 1 0 "[ ]" 4
10 2 36 GLU N 2 49 GLN O 2.800 2.800 3.300 3.274 3.274 3.274 . 0 0 "[ ]" 4
11 2 50 MET H 2 53 LYS O 1.800 . 2.300 2.158 2.158 2.158 . 0 0 "[ ]" 4
12 2 50 MET N 2 53 LYS O 2.800 2.800 3.300 3.041 3.041 3.041 . 0 0 "[ ]" 4
13 2 48 CYS O 2 55 GLY H 1.800 . 2.300 2.394 2.394 2.394 0.094 1 0 "[ ]" 4
14 2 48 CYS O 2 55 GLY N 2.800 2.800 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 4
15 2 39 GLU O 2 47 PHE H 1.800 . 2.300 1.972 1.972 1.972 . 0 0 "[ ]" 4
16 2 39 GLU O 2 47 PHE N 2.800 2.800 3.300 2.808 2.808 2.808 . 0 0 "[ ]" 4
17 2 48 CYS H 2 55 GLY O 1.800 . 2.300 2.257 2.257 2.257 . 0 0 "[ ]" 4
18 2 48 CYS N 2 55 GLY O 2.800 2.800 3.300 3.146 3.146 3.146 . 0 0 "[ ]" 4
19 2 46 TRP O 2 57 ILE H 1.800 . 2.300 1.919 1.919 1.919 . 0 0 "[ ]" 4
20 2 46 TRP O 2 57 ILE N 2.800 2.800 3.300 2.860 2.860 2.860 . 0 0 "[ ]" 4
21 2 46 TRP H 2 57 ILE O 1.800 . 2.300 2.216 2.216 2.216 . 0 0 "[ ]" 4
22 2 46 TRP N 2 57 ILE O 2.800 2.800 3.300 3.167 3.167 3.167 . 0 0 "[ ]" 4
23 2 84 VAL H 2 133 GLN O 1.800 . 2.300 2.138 2.138 2.138 . 0 0 "[ ]" 4
24 2 84 VAL N 2 133 GLN O 2.800 2.800 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 4
25 2 84 VAL O 2 133 GLN H 1.800 . 2.300 2.117 2.117 2.117 . 0 0 "[ ]" 4
26 2 84 VAL O 2 133 GLN N 2.800 2.800 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 4
27 2 89 TYR H 2 99 LEU O 1.800 . 2.300 2.126 2.126 2.126 . 0 0 "[ ]" 4
28 2 89 TYR N 2 99 LEU O 2.800 2.800 3.300 3.086 3.086 3.086 . 0 0 "[ ]" 4
29 2 89 TYR O 2 99 LEU H 1.800 . 2.300 2.198 2.198 2.198 . 0 0 "[ ]" 4
30 2 89 TYR O 2 99 LEU N 2.800 2.800 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 4
31 2 83 TYR O 2 105 VAL H 1.800 . 2.300 2.015 2.015 2.015 . 0 0 "[ ]" 4
32 2 83 TYR O 2 105 VAL N 2.800 2.800 3.300 2.790 2.790 2.790 0.010 1 0 "[ ]" 4
33 2 83 TYR H 2 105 VAL O 1.800 . 2.300 1.827 1.827 1.827 . 0 0 "[ ]" 4
34 2 83 TYR N 2 105 VAL O 2.800 2.800 3.300 2.797 2.797 2.797 0.003 1 0 "[ ]" 4
35 2 106 GLU H 2 119 ARG O 1.800 . 2.300 1.965 1.965 1.965 . 0 0 "[ ]" 4
36 2 106 GLU N 2 119 ARG O 2.800 2.800 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 4
37 2 106 GLU O 2 119 ARG H 1.800 . 2.300 1.896 1.896 1.896 . 0 0 "[ ]" 4
38 2 106 GLU O 2 119 ARG N 2.800 2.800 3.300 2.793 2.793 2.793 0.007 1 0 "[ ]" 4
39 2 109 HIS O 2 117 VAL H 1.800 . 2.300 2.325 2.325 2.325 0.025 1 0 "[ ]" 4
40 2 109 HIS O 2 117 VAL N 2.800 2.800 3.300 3.245 3.245 3.245 . 0 0 "[ ]" 4
41 2 118 ILE O 2 125 GLY H 1.800 . 2.300 1.998 1.998 1.998 . 0 0 "[ ]" 4
42 2 118 ILE O 2 125 GLY N 2.800 2.800 3.300 2.697 2.697 2.697 0.103 1 0 "[ ]" 4
43 2 118 ILE H 2 125 GLY O 1.800 . 2.300 1.919 1.919 1.919 . 0 0 "[ ]" 4
44 2 118 ILE N 2 125 GLY O 2.800 2.800 3.300 2.796 2.796 2.796 0.004 1 0 "[ ]" 4
45 2 116 TRP O 2 127 PHE H 1.800 . 2.300 1.826 1.826 1.826 . 0 0 "[ ]" 4
46 2 116 TRP O 2 127 PHE N 2.800 2.800 3.300 2.774 2.774 2.774 0.026 1 0 "[ ]" 4
47 2 116 TRP H 2 127 PHE O 1.800 . 2.300 1.916 1.916 1.916 . 0 0 "[ ]" 4
48 2 116 TRP N 2 127 PHE O 2.800 2.800 3.300 2.735 2.735 2.735 0.065 1 0 "[ ]" 4
stop_
save_
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