NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395679 |
1ry4   |
6126 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ry4
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 1500
_Distance_constraint_stats_list.Viol_count 2191
_Distance_constraint_stats_list.Viol_total 2982.461
_Distance_constraint_stats_list.Viol_max 0.318
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0681
_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 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.014 0.014 20 0 "[ . 1 . 2]"
1 8 SER 0.850 0.113 13 0 "[ . 1 . 2]"
1 9 ILE 3.806 0.254 2 0 "[ . 1 . 2]"
1 10 SER 3.545 0.254 2 0 "[ . 1 . 2]"
1 11 ILE 1.580 0.218 7 0 "[ . 1 . 2]"
1 12 PRO 0.474 0.073 11 0 "[ . 1 . 2]"
1 13 HIS 0.626 0.073 11 0 "[ . 1 . 2]"
1 14 ASP 1.676 0.189 13 0 "[ . 1 . 2]"
1 15 PHE 2.112 0.189 13 0 "[ . 1 . 2]"
1 16 ARG 1.199 0.151 20 0 "[ . 1 . 2]"
1 17 GLN 1.029 0.151 20 0 "[ . 1 . 2]"
1 18 VAL 0.514 0.108 16 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 1.547 0.174 12 0 "[ . 1 . 2]"
1 21 ILE 1.991 0.174 12 0 "[ . 1 . 2]"
1 22 ILE 0.562 0.131 11 0 "[ . 1 . 2]"
1 23 ASP 2.686 0.273 18 0 "[ . 1 . 2]"
1 24 VAL 3.993 0.273 17 0 "[ . 1 . 2]"
1 25 ASP 1.523 0.207 3 0 "[ . 1 . 2]"
1 26 ILE 0.847 0.144 14 0 "[ . 1 . 2]"
1 27 VAL 0.628 0.107 11 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 4.574 0.166 11 0 "[ . 1 . 2]"
1 30 THR 0.208 0.153 14 0 "[ . 1 . 2]"
1 31 HIS 7.221 0.267 9 0 "[ . 1 . 2]"
1 32 ARG 3.467 0.171 7 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.101 0.049 20 0 "[ . 1 . 2]"
1 35 ARG 0.675 0.098 13 0 "[ . 1 . 2]"
1 36 LEU 2.151 0.167 15 0 "[ . 1 . 2]"
1 37 LEU 3.023 0.147 1 0 "[ . 1 . 2]"
1 38 LYS 4.910 0.154 20 0 "[ . 1 . 2]"
1 39 HIS 4.763 0.156 19 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.403 0.113 15 0 "[ . 1 . 2]"
1 42 ASP 1.418 0.207 7 0 "[ . 1 . 2]"
1 43 LYS 1.383 0.207 7 0 "[ . 1 . 2]"
1 44 PRO 0.086 0.047 14 0 "[ . 1 . 2]"
1 45 LEU 1.328 0.110 9 0 "[ . 1 . 2]"
1 46 GLY 1.586 0.133 7 0 "[ . 1 . 2]"
1 47 PHE 3.668 0.170 20 0 "[ . 1 . 2]"
1 48 TYR 3.665 0.274 1 0 "[ . 1 . 2]"
1 49 ILE 0.848 0.101 16 0 "[ . 1 . 2]"
1 50 ARG 1.514 0.101 16 0 "[ . 1 . 2]"
1 51 ASP 0.783 0.094 15 0 "[ . 1 . 2]"
1 52 GLY 0.033 0.033 12 0 "[ . 1 . 2]"
1 53 THR 3.914 0.230 20 0 "[ . 1 . 2]"
1 54 SER 2.155 0.225 15 0 "[ . 1 . 2]"
1 55 VAL 1.074 0.097 9 0 "[ . 1 . 2]"
1 56 ARG 4.627 0.165 12 0 "[ . 1 . 2]"
1 57 VAL 1.802 0.165 12 0 "[ . 1 . 2]"
1 58 THR 1.663 0.113 3 0 "[ . 1 . 2]"
1 59 ALA 0.716 0.083 15 0 "[ . 1 . 2]"
1 60 SER 0.016 0.010 5 0 "[ . 1 . 2]"
1 61 GLY 2.496 0.113 3 0 "[ . 1 . 2]"
1 62 LEU 7.224 0.259 13 0 "[ . 1 . 2]"
1 63 GLU 3.808 0.148 13 0 "[ . 1 . 2]"
1 64 LYS 4.452 0.146 7 0 "[ . 1 . 2]"
1 65 GLN 6.398 0.197 18 0 "[ . 1 . 2]"
1 66 PRO 3.093 0.197 18 0 "[ . 1 . 2]"
1 67 GLY 1.485 0.120 16 0 "[ . 1 . 2]"
1 68 ILE 0.453 0.088 14 0 "[ . 1 . 2]"
1 69 PHE 1.060 0.078 10 0 "[ . 1 . 2]"
1 70 ILE 0.184 0.051 19 0 "[ . 1 . 2]"
1 71 SER 0.436 0.085 1 0 "[ . 1 . 2]"
1 72 ARG 1.706 0.143 19 0 "[ . 1 . 2]"
1 73 LEU 5.027 0.197 5 0 "[ . 1 . 2]"
1 74 VAL 0.549 0.100 6 0 "[ . 1 . 2]"
1 75 PRO 1.156 0.088 8 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.006 0.006 13 0 "[ . 1 . 2]"
1 78 LEU 1.582 0.115 1 0 "[ . 1 . 2]"
1 79 ALA 5.715 0.274 1 0 "[ . 1 . 2]"
1 80 GLU 0.027 0.020 5 0 "[ . 1 . 2]"
1 81 SER 0.123 0.039 19 0 "[ . 1 . 2]"
1 82 THR 2.728 0.214 9 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 2.864 0.214 9 0 "[ . 1 . 2]"
1 85 LEU 3.661 0.267 9 0 "[ . 1 . 2]"
1 86 ALA 0.151 0.054 11 0 "[ . 1 . 2]"
1 87 VAL 1.020 0.270 11 0 "[ . 1 . 2]"
1 88 ASN 1.700 0.121 14 0 "[ . 1 . 2]"
1 89 ASP 0.349 0.086 7 0 "[ . 1 . 2]"
1 90 GLU 1.208 0.114 3 0 "[ . 1 . 2]"
1 91 VAL 1.232 0.113 9 0 "[ . 1 . 2]"
1 92 ILE 3.741 0.234 16 0 "[ . 1 . 2]"
1 93 GLU 0.684 0.060 13 0 "[ . 1 . 2]"
1 94 VAL 3.557 0.192 2 0 "[ . 1 . 2]"
1 95 ASN 2.390 0.174 2 0 "[ . 1 . 2]"
1 96 GLY 0.608 0.070 14 0 "[ . 1 . 2]"
1 97 ILE 4.162 0.236 11 0 "[ . 1 . 2]"
1 98 GLU 6.157 0.192 2 0 "[ . 1 . 2]"
1 99 VAL 1.818 0.149 6 0 "[ . 1 . 2]"
1 100 ALA 1.129 0.186 6 0 "[ . 1 . 2]"
1 101 GLY 0.048 0.023 1 0 "[ . 1 . 2]"
1 102 LYS 5.461 0.206 1 0 "[ . 1 . 2]"
1 103 THR 2.114 0.177 20 0 "[ . 1 . 2]"
1 104 LEU 0.366 0.127 4 0 "[ . 1 . 2]"
1 105 ASP 1.159 0.136 19 0 "[ . 1 . 2]"
1 106 GLN 2.636 0.155 3 0 "[ . 1 . 2]"
1 107 VAL 2.812 0.225 13 0 "[ . 1 . 2]"
1 108 THR 2.193 0.141 11 0 "[ . 1 . 2]"
1 109 ASP 1.769 0.106 4 0 "[ . 1 . 2]"
1 110 MET 8.085 0.225 13 0 "[ . 1 . 2]"
1 111 MET 6.597 0.236 11 0 "[ . 1 . 2]"
1 112 VAL 3.307 0.158 7 0 "[ . 1 . 2]"
1 113 ALA 2.209 0.318 7 0 "[ . 1 . 2]"
1 114 ASN 2.873 0.318 7 0 "[ . 1 . 2]"
1 115 SER 2.471 0.196 4 0 "[ . 1 . 2]"
1 116 SER 0.008 0.005 3 0 "[ . 1 . 2]"
1 117 ASN 0.150 0.043 2 0 "[ . 1 . 2]"
1 118 LEU 4.246 0.196 4 0 "[ . 1 . 2]"
1 119 ILE 2.084 0.130 11 0 "[ . 1 . 2]"
1 120 ILE 6.712 0.255 19 0 "[ . 1 . 2]"
1 121 THR 6.649 0.255 19 0 "[ . 1 . 2]"
1 122 VAL 0.533 0.122 18 0 "[ . 1 . 2]"
1 123 LYS 4.010 0.171 7 0 "[ . 1 . 2]"
1 124 PRO 0.423 0.071 14 0 "[ . 1 . 2]"
1 125 ALA 3.273 0.260 14 0 "[ . 1 . 2]"
1 126 ASN 3.619 0.260 14 0 "[ . 1 . 2]"
1 127 GLN 3.240 0.202 17 0 "[ . 1 . 2]"
1 128 ARG 1.671 0.125 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS H 1 3 LYS QE . . 6.380 4.528 3.533 6.117 . 0 0 "[ . 1 . 2]" 1
2 1 4 THR HA 1 5 LYS H . . 3.490 2.173 2.094 2.338 . 0 0 "[ . 1 . 2]" 1
3 1 5 LYS H 1 5 LYS QE . . 6.380 4.436 2.912 6.013 . 0 0 "[ . 1 . 2]" 1
4 1 5 LYS HA 1 6 ALA H . . 3.140 2.215 2.029 2.585 . 0 0 "[ . 1 . 2]" 1
5 1 6 ALA MB 1 8 SER HA . . 5.690 4.747 3.997 5.704 0.014 20 0 "[ . 1 . 2]" 1
6 1 6 ALA MB 1 8 SER QB . . 7.090 5.147 3.679 6.399 . 0 0 "[ . 1 . 2]" 1
7 1 8 SER H 1 9 ILE H . . 3.950 3.942 3.306 4.063 0.113 13 0 "[ . 1 . 2]" 1
8 1 8 SER HA 1 9 ILE H . . 2.990 2.152 2.006 2.295 . 0 0 "[ . 1 . 2]" 1
9 1 8 SER QB 1 9 ILE H . . 4.420 3.754 3.471 4.024 . 0 0 "[ . 1 . 2]" 1
10 1 8 SER QB 1 9 ILE MG . . 6.160 5.393 4.253 6.058 . 0 0 "[ . 1 . 2]" 1
11 1 9 ILE H 1 9 ILE HB . . 3.360 2.827 2.520 3.517 0.157 6 0 "[ . 1 . 2]" 1
12 1 9 ILE H 1 9 ILE HG12 . . 4.570 3.633 1.963 4.628 0.058 8 0 "[ . 1 . 2]" 1
13 1 9 ILE H 1 9 ILE QG . . 4.390 2.948 1.823 4.050 . 0 0 "[ . 1 . 2]" 1
14 1 9 ILE H 1 9 ILE HG13 . . 4.570 3.410 1.830 4.634 0.064 12 0 "[ . 1 . 2]" 1
15 1 9 ILE HA 1 9 ILE MD . . 4.610 3.333 2.132 4.203 . 0 0 "[ . 1 . 2]" 1
16 1 9 ILE HA 1 10 SER H . . 3.080 2.157 1.862 2.526 . 0 0 "[ . 1 . 2]" 1
17 1 9 ILE HB 1 10 SER H . . 3.610 3.684 2.972 3.864 0.254 2 0 "[ . 1 . 2]" 1
18 1 9 ILE MD 1 10 SER H . . 5.780 4.196 1.974 5.275 . 0 0 "[ . 1 . 2]" 1
19 1 9 ILE MG 1 10 SER H . . 6.190 2.773 1.914 4.118 . 0 0 "[ . 1 . 2]" 1
20 1 10 SER H 1 11 ILE H . . 3.920 3.691 3.061 4.013 0.093 16 0 "[ . 1 . 2]" 1
21 1 10 SER H 1 11 ILE HB . . 5.040 4.919 3.818 5.258 0.218 7 0 "[ . 1 . 2]" 1
22 1 10 SER H 1 11 ILE QG . . 6.380 5.445 2.921 6.389 0.009 15 0 "[ . 1 . 2]" 1
23 1 10 SER HA 1 11 ILE H . . 2.830 2.176 2.032 2.468 . 0 0 "[ . 1 . 2]" 1
24 1 11 ILE H 1 11 ILE HB . . 3.020 2.763 2.178 3.103 0.083 9 0 "[ . 1 . 2]" 1
25 1 11 ILE H 1 11 ILE HG12 . . 4.630 4.259 3.599 4.664 0.034 8 0 "[ . 1 . 2]" 1
26 1 11 ILE H 1 11 ILE QG . . 4.490 3.654 2.357 4.095 . 0 0 "[ . 1 . 2]" 1
27 1 11 ILE H 1 11 ILE HG13 . . 4.630 4.112 2.390 4.655 0.025 7 0 "[ . 1 . 2]" 1
28 1 11 ILE H 1 12 PRO HD2 . . 5.500 5.144 4.809 5.333 . 0 0 "[ . 1 . 2]" 1
29 1 11 ILE H 1 12 PRO HD3 . . 5.500 4.338 3.688 4.739 . 0 0 "[ . 1 . 2]" 1
30 1 11 ILE HA 1 12 PRO HD2 . . 3.140 2.520 2.064 2.727 . 0 0 "[ . 1 . 2]" 1
31 1 11 ILE HA 1 12 PRO QD . . 2.680 1.922 1.809 2.032 . 0 0 "[ . 1 . 2]" 1
32 1 11 ILE HA 1 12 PRO HD3 . . 3.140 2.019 1.837 2.318 . 0 0 "[ . 1 . 2]" 1
33 1 11 ILE HB 1 12 PRO HD2 . . 4.940 4.428 3.941 4.953 0.013 13 0 "[ . 1 . 2]" 1
34 1 11 ILE HB 1 12 PRO QD . . 4.680 3.941 3.690 4.357 . 0 0 "[ . 1 . 2]" 1
35 1 11 ILE HB 1 12 PRO HD3 . . 4.940 4.455 4.200 4.864 . 0 0 "[ . 1 . 2]" 1
36 1 11 ILE MG 1 12 PRO HD2 . . 5.350 4.141 2.624 5.051 . 0 0 "[ . 1 . 2]" 1
37 1 11 ILE MG 1 12 PRO QD . . 5.020 3.757 2.547 4.218 . 0 0 "[ . 1 . 2]" 1
38 1 11 ILE MG 1 12 PRO HD3 . . 5.350 4.381 3.451 4.869 . 0 0 "[ . 1 . 2]" 1
39 1 11 ILE MG 1 13 HIS HD2 . . 5.850 3.918 2.957 5.127 . 0 0 "[ . 1 . 2]" 1
40 1 11 ILE MG 1 13 HIS HE1 . . 5.540 3.949 2.875 5.382 . 0 0 "[ . 1 . 2]" 1
41 1 12 PRO HA 1 13 HIS H . . 3.180 2.121 2.052 2.194 . 0 0 "[ . 1 . 2]" 1
42 1 12 PRO QB 1 13 HIS H . . 3.560 3.272 3.007 3.381 . 0 0 "[ . 1 . 2]" 1
43 1 12 PRO HB2 1 13 HIS H . . 3.800 3.709 3.154 3.873 0.073 11 0 "[ . 1 . 2]" 1
44 1 12 PRO HB3 1 13 HIS H . . 3.800 3.674 3.506 3.844 0.044 7 0 "[ . 1 . 2]" 1
45 1 13 HIS H 1 14 ASP H . . 4.480 4.396 4.247 4.548 0.068 18 0 "[ . 1 . 2]" 1
46 1 13 HIS HA 1 13 HIS HD2 . . 4.540 3.611 2.814 4.370 . 0 0 "[ . 1 . 2]" 1
47 1 13 HIS HA 1 14 ASP H . . 3.210 2.172 2.051 2.404 . 0 0 "[ . 1 . 2]" 1
48 1 13 HIS QB 1 14 ASP H . . 5.260 3.033 2.217 3.446 . 0 0 "[ . 1 . 2]" 1
49 1 14 ASP QB 1 15 PHE QB . . 5.020 4.327 3.401 4.654 . 0 0 "[ . 1 . 2]" 1
50 1 14 ASP HB2 1 15 PHE HB2 . . 6.040 5.593 3.635 6.152 0.112 3 0 "[ . 1 . 2]" 1
51 1 14 ASP HB2 1 15 PHE HB3 . . 6.040 5.966 4.459 6.229 0.189 13 0 "[ . 1 . 2]" 1
52 1 14 ASP HB3 1 15 PHE HB2 . . 6.040 5.317 4.328 6.062 0.022 12 0 "[ . 1 . 2]" 1
53 1 14 ASP HB3 1 15 PHE HB3 . . 6.040 5.461 4.669 5.962 . 0 0 "[ . 1 . 2]" 1
54 1 15 PHE H 1 15 PHE HB2 . . 3.580 2.989 2.262 3.632 0.052 3 0 "[ . 1 . 2]" 1
55 1 15 PHE H 1 15 PHE HB3 . . 3.580 2.909 2.356 3.614 0.034 16 0 "[ . 1 . 2]" 1
56 1 15 PHE HA 1 16 ARG H . . 3.640 2.679 2.082 3.577 . 0 0 "[ . 1 . 2]" 1
57 1 15 PHE QB 1 18 VAL QG . . 8.040 6.732 6.064 7.542 . 0 0 "[ . 1 . 2]" 1
58 1 15 PHE HB2 1 18 VAL MG1 . . 9.650 8.688 7.962 9.684 0.034 10 0 "[ . 1 . 2]" 1
59 1 15 PHE HB2 1 18 VAL MG2 . . 9.650 9.266 8.159 9.758 0.108 16 0 "[ . 1 . 2]" 1
60 1 15 PHE HB3 1 18 VAL MG1 . . 9.650 7.985 6.841 9.455 . 0 0 "[ . 1 . 2]" 1
61 1 15 PHE HB3 1 18 VAL MG2 . . 9.650 8.720 7.618 9.694 0.044 3 0 "[ . 1 . 2]" 1
62 1 15 PHE QD 1 18 VAL QG . . 9.870 6.443 5.102 7.839 . 0 0 "[ . 1 . 2]" 1
63 1 15 PHE QE 1 18 VAL QG . . 10.210 6.808 4.508 9.328 . 0 0 "[ . 1 . 2]" 1
64 1 16 ARG H 1 16 ARG HB2 . . 3.860 3.193 2.527 3.886 0.026 7 0 "[ . 1 . 2]" 1
65 1 16 ARG H 1 16 ARG QB . . 3.660 2.782 2.405 3.387 . 0 0 "[ . 1 . 2]" 1
66 1 16 ARG H 1 16 ARG HB3 . . 3.860 3.298 2.579 3.989 0.129 17 0 "[ . 1 . 2]" 1
67 1 16 ARG H 1 16 ARG HG2 . . 5.500 4.102 2.090 5.233 . 0 0 "[ . 1 . 2]" 1
68 1 16 ARG H 1 16 ARG QG . . 5.120 3.566 2.043 4.278 . 0 0 "[ . 1 . 2]" 1
69 1 16 ARG H 1 16 ARG HG3 . . 5.500 4.116 2.508 4.803 . 0 0 "[ . 1 . 2]" 1
70 1 16 ARG H 1 17 GLN H . . 3.360 3.158 2.004 3.511 0.151 20 0 "[ . 1 . 2]" 1
71 1 16 ARG HA 1 16 ARG QG . . 4.020 2.746 2.325 3.384 . 0 0 "[ . 1 . 2]" 1
72 1 16 ARG HA 1 17 GLN H . . 2.960 2.331 2.074 3.030 0.070 2 0 "[ . 1 . 2]" 1
73 1 16 ARG HA 1 18 VAL QG . . 8.090 5.329 3.935 6.014 . 0 0 "[ . 1 . 2]" 1
74 1 17 GLN H 1 17 GLN HB2 . . 3.730 2.800 2.386 3.678 . 0 0 "[ . 1 . 2]" 1
75 1 17 GLN H 1 17 GLN QB . . 3.520 2.474 2.232 2.779 . 0 0 "[ . 1 . 2]" 1
76 1 17 GLN H 1 17 GLN HB3 . . 3.730 3.186 2.455 3.689 . 0 0 "[ . 1 . 2]" 1
77 1 17 GLN HA 1 18 VAL H . . 3.210 2.191 2.012 2.414 . 0 0 "[ . 1 . 2]" 1
78 1 17 GLN HA 1 18 VAL QG . . 7.500 3.405 3.178 3.664 . 0 0 "[ . 1 . 2]" 1
79 1 17 GLN QB 1 18 VAL QG . . 7.900 4.036 3.316 4.515 . 0 0 "[ . 1 . 2]" 1
80 1 17 GLN HB2 1 18 VAL MG1 . . 9.650 5.461 4.739 6.046 . 0 0 "[ . 1 . 2]" 1
81 1 17 GLN HB2 1 18 VAL MG2 . . 9.650 5.285 3.811 6.491 . 0 0 "[ . 1 . 2]" 1
82 1 17 GLN HB3 1 18 VAL MG1 . . 9.650 5.269 4.450 5.788 . 0 0 "[ . 1 . 2]" 1
83 1 17 GLN HB3 1 18 VAL MG2 . . 9.650 5.043 3.543 7.085 . 0 0 "[ . 1 . 2]" 1
84 1 17 GLN QG 1 18 VAL H . . 6.380 4.020 2.403 4.769 . 0 0 "[ . 1 . 2]" 1
85 1 18 VAL H 1 18 VAL HB . . 3.730 3.477 2.534 3.733 0.003 11 0 "[ . 1 . 2]" 1
86 1 18 VAL HA 1 19 SER H . . 2.900 2.156 2.036 2.356 . 0 0 "[ . 1 . 2]" 1
87 1 19 SER HA 1 20 ALA H . . 3.140 2.213 2.063 2.367 . 0 0 "[ . 1 . 2]" 1
88 1 20 ALA H 1 21 ILE H . . 4.070 4.146 4.045 4.244 0.174 12 0 "[ . 1 . 2]" 1
89 1 20 ALA HA 1 21 ILE H . . 2.870 2.091 2.013 2.261 . 0 0 "[ . 1 . 2]" 1
90 1 21 ILE H 1 21 ILE HB . . 3.050 2.778 2.547 3.216 0.166 2 0 "[ . 1 . 2]" 1
91 1 21 ILE H 1 21 ILE HG12 . . 4.970 4.320 3.132 4.858 . 0 0 "[ . 1 . 2]" 1
92 1 21 ILE H 1 21 ILE QG . . 4.720 3.654 2.227 4.130 . 0 0 "[ . 1 . 2]" 1
93 1 21 ILE H 1 21 ILE HG13 . . 4.970 4.033 2.254 4.688 . 0 0 "[ . 1 . 2]" 1
94 1 21 ILE HA 1 21 ILE MD . . 4.480 2.826 2.084 3.872 . 0 0 "[ . 1 . 2]" 1
95 1 21 ILE HA 1 22 ILE H . . 3.240 2.159 2.060 2.437 . 0 0 "[ . 1 . 2]" 1
96 1 21 ILE MD 1 22 ILE H . . 5.410 3.808 2.081 5.516 0.106 2 0 "[ . 1 . 2]" 1
97 1 21 ILE MG 1 22 ILE H . . 4.420 3.816 2.758 4.320 . 0 0 "[ . 1 . 2]" 1
98 1 22 ILE H 1 22 ILE HB . . 3.760 3.238 2.476 3.779 0.019 3 0 "[ . 1 . 2]" 1
99 1 22 ILE H 1 22 ILE HG12 . . 5.500 3.074 1.974 4.857 . 0 0 "[ . 1 . 2]" 1
100 1 22 ILE H 1 22 ILE HG13 . . 5.500 3.337 1.993 4.471 . 0 0 "[ . 1 . 2]" 1
101 1 22 ILE HA 1 23 ASP H . . 3.390 2.174 2.018 2.360 . 0 0 "[ . 1 . 2]" 1
102 1 22 ILE HB 1 23 ASP H . . 4.070 3.423 2.518 4.201 0.131 11 0 "[ . 1 . 2]" 1
103 1 22 ILE MD 1 23 ASP H . . 6.370 3.963 2.049 5.302 . 0 0 "[ . 1 . 2]" 1
104 1 23 ASP H 1 23 ASP HB2 . . 3.550 3.222 2.450 3.695 0.145 20 0 "[ . 1 . 2]" 1
105 1 23 ASP H 1 23 ASP QB . . 3.330 2.731 2.221 3.294 . 0 0 "[ . 1 . 2]" 1
106 1 23 ASP H 1 23 ASP HB3 . . 3.550 3.045 2.388 3.823 0.273 18 0 "[ . 1 . 2]" 1
107 1 23 ASP H 1 24 VAL H . . 4.230 3.640 1.752 4.378 0.148 16 0 "[ . 1 . 2]" 1
108 1 23 ASP HA 1 24 VAL H . . 3.210 2.390 1.930 3.362 0.152 20 0 "[ . 1 . 2]" 1
109 1 23 ASP QB 1 24 VAL H . . 3.980 3.346 1.921 3.814 . 0 0 "[ . 1 . 2]" 1
110 1 23 ASP HB2 1 24 VAL H . . 4.200 3.876 1.931 4.261 0.061 2 0 "[ . 1 . 2]" 1
111 1 23 ASP HB3 1 24 VAL H . . 4.200 3.821 2.490 4.301 0.101 2 0 "[ . 1 . 2]" 1
112 1 24 VAL H 1 24 VAL HB . . 3.420 2.916 2.473 3.693 0.273 17 0 "[ . 1 . 2]" 1
113 1 24 VAL H 1 24 VAL MG1 . . 4.700 3.411 2.126 3.985 . 0 0 "[ . 1 . 2]" 1
114 1 24 VAL H 1 24 VAL MG2 . . 4.700 2.688 1.924 3.851 . 0 0 "[ . 1 . 2]" 1
115 1 24 VAL H 1 25 ASP H . . 3.730 2.771 1.853 3.908 0.178 6 0 "[ . 1 . 2]" 1
116 1 24 VAL H 1 25 ASP QB . . 4.920 4.491 3.678 5.086 0.166 3 0 "[ . 1 . 2]" 1
117 1 24 VAL HB 1 25 ASP H . . 3.550 2.846 1.983 3.757 0.207 3 0 "[ . 1 . 2]" 1
118 1 24 VAL QG 1 25 ASP H . . 6.940 3.084 1.990 3.670 . 0 0 "[ . 1 . 2]" 1
119 1 25 ASP H 1 25 ASP HB2 . . 3.330 2.769 2.556 3.034 . 0 0 "[ . 1 . 2]" 1
120 1 25 ASP H 1 25 ASP HB3 . . 3.330 2.519 2.394 2.721 . 0 0 "[ . 1 . 2]" 1
121 1 25 ASP HA 1 26 ILE H . . 2.990 2.106 1.989 2.234 . 0 0 "[ . 1 . 2]" 1
122 1 26 ILE H 1 26 ILE HB . . 3.270 3.062 2.487 3.414 0.144 14 0 "[ . 1 . 2]" 1
123 1 26 ILE H 1 26 ILE HG12 . . 5.070 4.506 3.065 5.141 0.071 14 0 "[ . 1 . 2]" 1
124 1 26 ILE H 1 26 ILE QG . . 4.760 3.811 2.443 4.231 . 0 0 "[ . 1 . 2]" 1
125 1 26 ILE H 1 26 ILE HG13 . . 5.070 4.215 2.480 4.794 . 0 0 "[ . 1 . 2]" 1
126 1 26 ILE HA 1 26 ILE MD . . 4.390 3.202 2.071 3.901 . 0 0 "[ . 1 . 2]" 1
127 1 26 ILE HA 1 27 VAL H . . 3.360 2.477 2.076 3.467 0.107 11 0 "[ . 1 . 2]" 1
128 1 26 ILE HB 1 26 ILE MD . . 3.490 2.484 2.390 3.248 . 0 0 "[ . 1 . 2]" 1
129 1 27 VAL H 1 27 VAL HB . . 3.210 2.865 2.503 3.254 0.044 6 0 "[ . 1 . 2]" 1
130 1 27 VAL QG 1 88 ASN QD . . 7.950 6.131 4.850 7.017 . 0 0 "[ . 1 . 2]" 1
131 1 27 VAL QG 1 89 ASP H . . 8.090 7.378 6.655 8.176 0.086 7 0 "[ . 1 . 2]" 1
132 1 27 VAL MG1 1 88 ASN HD21 . . 9.650 7.838 6.044 9.699 0.049 2 0 "[ . 1 . 2]" 1
133 1 27 VAL MG1 1 88 ASN HD22 . . 9.650 8.234 5.858 9.704 0.054 10 0 "[ . 1 . 2]" 1
134 1 27 VAL MG2 1 88 ASN HD21 . . 9.650 7.722 6.305 9.107 . 0 0 "[ . 1 . 2]" 1
135 1 27 VAL MG2 1 88 ASN HD22 . . 9.650 8.086 5.541 9.669 0.019 9 0 "[ . 1 . 2]" 1
136 1 28 PRO HA 1 29 GLU H . . 3.110 2.299 2.173 2.399 . 0 0 "[ . 1 . 2]" 1
137 1 29 GLU H 1 29 GLU HB2 . . 3.390 2.939 2.294 3.540 0.150 14 0 "[ . 1 . 2]" 1
138 1 29 GLU H 1 29 GLU QB . . 3.200 2.589 2.265 2.944 . 0 0 "[ . 1 . 2]" 1
139 1 29 GLU H 1 29 GLU HB3 . . 3.390 3.263 2.626 3.556 0.166 11 0 "[ . 1 . 2]" 1
140 1 29 GLU H 1 29 GLU HG2 . . 4.600 3.125 1.922 4.042 . 0 0 "[ . 1 . 2]" 1
141 1 29 GLU H 1 29 GLU HG3 . . 4.600 2.970 1.924 3.942 . 0 0 "[ . 1 . 2]" 1
142 1 29 GLU H 1 30 THR H . . 5.000 3.741 2.091 4.142 . 0 0 "[ . 1 . 2]" 1
143 1 29 GLU HA 1 29 GLU HG2 . . 4.040 3.530 2.432 4.140 0.100 17 0 "[ . 1 . 2]" 1
144 1 29 GLU HA 1 29 GLU HG3 . . 4.040 3.207 2.550 3.800 . 0 0 "[ . 1 . 2]" 1
145 1 29 GLU HA 1 30 THR H . . 2.990 2.330 2.149 3.143 0.153 14 0 "[ . 1 . 2]" 1
146 1 29 GLU QB 1 31 HIS HD2 . . 5.300 3.372 2.010 5.359 0.059 2 0 "[ . 1 . 2]" 1
147 1 29 GLU HB2 1 31 HIS HE1 . . 5.220 4.231 2.447 5.331 0.111 11 0 "[ . 1 . 2]" 1
148 1 29 GLU HB3 1 31 HIS HE1 . . 5.220 4.300 2.003 5.352 0.132 3 0 "[ . 1 . 2]" 1
149 1 29 GLU QG 1 31 HIS HD2 . . 5.570 4.712 3.157 5.692 0.122 1 0 "[ . 1 . 2]" 1
150 1 30 THR H 1 30 THR MG . . 4.790 2.779 1.962 3.770 . 0 0 "[ . 1 . 2]" 1
151 1 30 THR HA 1 30 THR MG . . 3.430 2.616 2.293 3.271 . 0 0 "[ . 1 . 2]" 1
152 1 30 THR HA 1 31 HIS H . . 2.960 2.158 2.064 2.342 . 0 0 "[ . 1 . 2]" 1
153 1 30 THR MG 1 31 HIS H . . 6.530 3.772 2.345 4.270 . 0 0 "[ . 1 . 2]" 1
154 1 31 HIS H 1 31 HIS HD2 . . 4.730 3.370 2.245 4.856 0.126 2 0 "[ . 1 . 2]" 1
155 1 31 HIS H 1 32 ARG H . . 4.970 4.238 4.013 4.537 . 0 0 "[ . 1 . 2]" 1
156 1 31 HIS HA 1 31 HIS HD2 . . 3.490 2.862 2.254 3.289 . 0 0 "[ . 1 . 2]" 1
157 1 31 HIS HA 1 32 ARG H . . 3.210 1.992 1.856 2.216 . 0 0 "[ . 1 . 2]" 1
158 1 31 HIS HA 1 122 VAL QG . . 7.250 4.510 3.954 5.331 . 0 0 "[ . 1 . 2]" 1
159 1 31 HIS HB2 1 32 ARG H . . 4.170 4.189 3.849 4.264 0.094 20 0 "[ . 1 . 2]" 1
160 1 31 HIS HB2 1 121 THR MG . . 5.040 4.205 3.395 5.100 0.060 4 0 "[ . 1 . 2]" 1
161 1 31 HIS HB3 1 32 ARG H . . 4.170 3.371 2.661 3.736 . 0 0 "[ . 1 . 2]" 1
162 1 31 HIS HB3 1 121 THR MG . . 5.040 2.994 2.229 3.817 . 0 0 "[ . 1 . 2]" 1
163 1 31 HIS HD2 1 32 ARG QB . . 6.040 5.874 5.094 6.134 0.094 5 0 "[ . 1 . 2]" 1
164 1 31 HIS HD2 1 85 LEU QD . . 7.510 5.215 4.082 6.625 . 0 0 "[ . 1 . 2]" 1
165 1 31 HIS HD2 1 123 LYS HA . . 4.070 3.817 3.171 4.235 0.165 3 0 "[ . 1 . 2]" 1
166 1 31 HIS HD2 1 123 LYS QG . . 5.260 3.339 2.408 4.134 . 0 0 "[ . 1 . 2]" 1
167 1 31 HIS HE1 1 85 LEU QD . . 7.140 7.288 7.049 7.407 0.267 9 0 "[ . 1 . 2]" 1
168 1 31 HIS HE1 1 121 THR MG . . 6.280 5.899 3.972 6.397 0.117 4 0 "[ . 1 . 2]" 1
169 1 32 ARG H 1 121 THR MG . . 5.850 3.928 3.090 5.177 . 0 0 "[ . 1 . 2]" 1
170 1 32 ARG H 1 122 VAL H . . 4.420 3.494 3.027 4.448 0.028 17 0 "[ . 1 . 2]" 1
171 1 32 ARG H 1 122 VAL QG . . 6.290 3.275 2.940 4.042 . 0 0 "[ . 1 . 2]" 1
172 1 32 ARG H 1 123 LYS HA . . 4.970 3.908 3.434 4.716 . 0 0 "[ . 1 . 2]" 1
173 1 32 ARG H 1 124 PRO HD2 . . 5.500 5.025 4.577 5.517 0.017 3 0 "[ . 1 . 2]" 1
174 1 32 ARG H 1 124 PRO HD3 . . 5.500 4.208 3.369 4.849 . 0 0 "[ . 1 . 2]" 1
175 1 32 ARG QB 1 122 VAL H . . 6.380 3.772 2.931 5.384 . 0 0 "[ . 1 . 2]" 1
176 1 32 ARG QB 1 122 VAL QG . . 6.760 2.493 1.834 4.127 . 0 0 "[ . 1 . 2]" 1
177 1 32 ARG QB 1 123 LYS QG . . 6.170 6.242 5.874 6.341 0.171 7 0 "[ . 1 . 2]" 1
178 1 33 ARG HA 1 34 VAL QG . . 7.280 3.519 3.333 3.801 . 0 0 "[ . 1 . 2]" 1
179 1 33 ARG HA 1 121 THR HA . . 3.610 2.340 1.971 2.749 . 0 0 "[ . 1 . 2]" 1
180 1 33 ARG HA 1 121 THR MG . . 5.720 3.508 3.049 4.032 . 0 0 "[ . 1 . 2]" 1
181 1 33 ARG HA 1 122 VAL H . . 4.540 3.441 3.115 3.954 . 0 0 "[ . 1 . 2]" 1
182 1 34 VAL H 1 119 ILE MG . . 6.090 3.464 3.060 4.088 . 0 0 "[ . 1 . 2]" 1
183 1 34 VAL H 1 120 ILE HB . . 5.500 5.209 4.126 5.549 0.049 20 0 "[ . 1 . 2]" 1
184 1 34 VAL H 1 120 ILE MD . . 6.530 5.411 4.193 5.935 . 0 0 "[ . 1 . 2]" 1
185 1 34 VAL H 1 120 ILE QG . . 6.380 4.462 2.646 5.585 . 0 0 "[ . 1 . 2]" 1
186 1 34 VAL H 1 121 THR HA . . 4.040 3.548 3.051 4.072 0.032 18 0 "[ . 1 . 2]" 1
187 1 34 VAL HA 1 35 ARG H . . 3.050 2.148 2.038 2.216 . 0 0 "[ . 1 . 2]" 1
188 1 34 VAL HB 1 35 ARG H . . 5.070 3.929 2.949 4.363 . 0 0 "[ . 1 . 2]" 1
189 1 34 VAL HB 1 120 ILE H . . 5.500 4.086 2.961 5.426 . 0 0 "[ . 1 . 2]" 1
190 1 34 VAL QG 1 35 ARG H . . 6.440 2.857 2.438 3.415 . 0 0 "[ . 1 . 2]" 1
191 1 34 VAL QG 1 47 PHE HA . . 7.340 5.687 4.245 6.917 . 0 0 "[ . 1 . 2]" 1
192 1 34 VAL QG 1 47 PHE QB . . 8.660 3.627 2.142 4.837 . 0 0 "[ . 1 . 2]" 1
193 1 34 VAL QG 1 82 THR MG . . 7.100 3.499 2.123 5.265 . 0 0 "[ . 1 . 2]" 1
194 1 35 ARG H 1 35 ARG HB2 . . 4.010 3.441 2.491 3.803 . 0 0 "[ . 1 . 2]" 1
195 1 35 ARG H 1 35 ARG HB3 . . 4.010 3.177 2.876 3.738 . 0 0 "[ . 1 . 2]" 1
196 1 35 ARG H 1 35 ARG HG2 . . 5.500 2.679 2.065 4.247 . 0 0 "[ . 1 . 2]" 1
197 1 35 ARG H 1 35 ARG HG3 . . 5.500 3.107 2.409 3.981 . 0 0 "[ . 1 . 2]" 1
198 1 35 ARG HA 1 120 ILE H . . 3.640 3.438 2.944 3.708 0.068 8 0 "[ . 1 . 2]" 1
199 1 35 ARG QB 1 36 LEU H . . 3.620 2.829 2.425 3.136 . 0 0 "[ . 1 . 2]" 1
200 1 35 ARG QB 1 119 ILE MD . . 6.350 3.294 2.553 4.347 . 0 0 "[ . 1 . 2]" 1
201 1 35 ARG HB2 1 36 LEU H . . 3.920 3.143 2.462 4.018 0.098 13 0 "[ . 1 . 2]" 1
202 1 35 ARG HB3 1 36 LEU H . . 3.920 3.674 2.784 4.001 0.081 2 0 "[ . 1 . 2]" 1
203 1 35 ARG QD 1 119 ILE MD . . 6.750 3.814 2.843 5.993 . 0 0 "[ . 1 . 2]" 1
204 1 35 ARG QG 1 36 LEU H . . 5.670 4.009 3.769 4.186 . 0 0 "[ . 1 . 2]" 1
205 1 36 LEU H 1 36 LEU HB2 . . 4.010 2.634 2.292 3.001 . 0 0 "[ . 1 . 2]" 1
206 1 36 LEU H 1 36 LEU QB . . 3.520 2.444 2.232 2.597 . 0 0 "[ . 1 . 2]" 1
207 1 36 LEU H 1 36 LEU HB3 . . 4.010 3.258 2.431 3.772 . 0 0 "[ . 1 . 2]" 1
208 1 36 LEU H 1 118 LEU H . . 4.450 3.489 2.803 3.990 . 0 0 "[ . 1 . 2]" 1
209 1 36 LEU H 1 118 LEU HB2 . . 5.500 4.830 4.460 5.443 . 0 0 "[ . 1 . 2]" 1
210 1 36 LEU H 1 118 LEU QB . . 5.100 3.402 2.828 4.695 . 0 0 "[ . 1 . 2]" 1
211 1 36 LEU H 1 118 LEU HB3 . . 5.500 3.538 2.859 5.321 . 0 0 "[ . 1 . 2]" 1
212 1 36 LEU H 1 119 ILE HA . . 3.800 3.373 2.918 3.818 0.018 3 0 "[ . 1 . 2]" 1
213 1 36 LEU HA 1 37 LEU H . . 3.550 2.167 2.077 2.311 . 0 0 "[ . 1 . 2]" 1
214 1 36 LEU QB 1 37 LEU H . . 4.180 3.452 2.893 3.835 . 0 0 "[ . 1 . 2]" 1
215 1 36 LEU QB 1 38 LYS H . . 4.330 4.346 3.878 4.452 0.122 14 0 "[ . 1 . 2]" 1
216 1 36 LEU QB 1 118 LEU QB . . 5.820 2.440 1.841 4.415 . 0 0 "[ . 1 . 2]" 1
217 1 36 LEU QB 1 118 LEU HG . . 4.330 3.302 1.899 3.955 . 0 0 "[ . 1 . 2]" 1
218 1 36 LEU HB2 1 37 LEU H . . 4.600 4.343 4.018 4.611 0.011 15 0 "[ . 1 . 2]" 1
219 1 36 LEU HB2 1 118 LEU HB2 . . 6.970 4.442 3.455 6.102 . 0 0 "[ . 1 . 2]" 1
220 1 36 LEU HB2 1 118 LEU HB3 . . 6.970 3.066 1.868 6.515 . 0 0 "[ . 1 . 2]" 1
221 1 36 LEU HB2 1 118 LEU HG . . 4.600 3.738 2.433 4.767 0.167 15 0 "[ . 1 . 2]" 1
222 1 36 LEU HB3 1 37 LEU H . . 4.600 3.642 2.962 4.187 . 0 0 "[ . 1 . 2]" 1
223 1 36 LEU HB3 1 118 LEU HB2 . . 6.970 4.573 3.349 5.400 . 0 0 "[ . 1 . 2]" 1
224 1 36 LEU HB3 1 118 LEU HB3 . . 6.970 3.257 1.859 5.196 . 0 0 "[ . 1 . 2]" 1
225 1 36 LEU HB3 1 118 LEU HG . . 4.600 4.114 1.975 4.687 0.087 2 0 "[ . 1 . 2]" 1
226 1 36 LEU QD 1 37 LEU H . . 6.950 3.101 1.977 4.259 . 0 0 "[ . 1 . 2]" 1
227 1 37 LEU H 1 37 LEU HB2 . . 3.520 3.309 2.381 3.641 0.121 11 0 "[ . 1 . 2]" 1
228 1 37 LEU H 1 37 LEU HB3 . . 3.520 3.391 3.098 3.610 0.090 7 0 "[ . 1 . 2]" 1
229 1 37 LEU HA 1 38 LYS H . . 2.870 2.026 1.967 2.139 . 0 0 "[ . 1 . 2]" 1
230 1 37 LEU HA 1 118 LEU H . . 4.850 3.781 2.861 4.858 0.008 2 0 "[ . 1 . 2]" 1
231 1 37 LEU QB 1 38 LYS H . . 3.770 3.384 3.160 3.521 . 0 0 "[ . 1 . 2]" 1
232 1 37 LEU QB 1 39 HIS HD2 . . 5.200 4.191 2.196 5.256 0.056 20 0 "[ . 1 . 2]" 1
233 1 37 LEU QB 1 39 HIS HE1 . . 5.640 4.511 2.105 5.688 0.048 13 0 "[ . 1 . 2]" 1
234 1 37 LEU HB2 1 38 LYS H . . 4.040 3.753 3.286 4.187 0.147 1 0 "[ . 1 . 2]" 1
235 1 37 LEU HB3 1 38 LYS H . . 4.040 3.954 3.363 4.112 0.072 10 0 "[ . 1 . 2]" 1
236 1 37 LEU QD 1 38 LYS H . . 6.330 4.096 3.592 4.409 . 0 0 "[ . 1 . 2]" 1
237 1 37 LEU QD 1 38 LYS HA . . 6.520 4.508 3.923 5.426 . 0 0 "[ . 1 . 2]" 1
238 1 37 LEU QD 1 39 HIS QB . . 7.940 4.644 3.366 6.358 . 0 0 "[ . 1 . 2]" 1
239 1 37 LEU QD 1 39 HIS HD2 . . 6.300 3.935 2.259 5.881 . 0 0 "[ . 1 . 2]" 1
240 1 37 LEU QD 1 39 HIS HE1 . . 6.450 3.607 2.239 6.092 . 0 0 "[ . 1 . 2]" 1
241 1 37 LEU QD 1 118 LEU H . . 8.100 5.127 2.287 6.725 . 0 0 "[ . 1 . 2]" 1
242 1 37 LEU MD1 1 39 HIS HB2 . . 9.670 5.673 3.500 8.313 . 0 0 "[ . 1 . 2]" 1
243 1 37 LEU MD1 1 39 HIS HB3 . . 9.670 5.951 3.852 8.504 . 0 0 "[ . 1 . 2]" 1
244 1 37 LEU MD2 1 39 HIS HB2 . . 9.670 6.631 4.972 8.339 . 0 0 "[ . 1 . 2]" 1
245 1 37 LEU MD2 1 39 HIS HB3 . . 9.670 6.745 4.253 8.516 . 0 0 "[ . 1 . 2]" 1
246 1 38 LYS H 1 38 LYS HB2 . . 3.490 3.034 2.449 3.630 0.140 6 0 "[ . 1 . 2]" 1
247 1 38 LYS H 1 38 LYS HB3 . . 3.490 2.683 2.289 3.588 0.098 3 0 "[ . 1 . 2]" 1
248 1 38 LYS H 1 38 LYS HG2 . . 4.730 3.676 2.008 4.625 . 0 0 "[ . 1 . 2]" 1
249 1 38 LYS H 1 38 LYS QG . . 4.580 3.075 1.838 4.165 . 0 0 "[ . 1 . 2]" 1
250 1 38 LYS H 1 38 LYS HG3 . . 4.730 3.643 1.845 4.730 0.000 10 0 "[ . 1 . 2]" 1
251 1 38 LYS H 1 39 HIS H . . 4.730 4.404 4.222 4.584 . 0 0 "[ . 1 . 2]" 1
252 1 38 LYS HA 1 38 LYS HG2 . . 4.230 3.431 2.535 4.252 0.022 11 0 "[ . 1 . 2]" 1
253 1 38 LYS HA 1 38 LYS HG3 . . 4.230 3.337 2.501 3.850 . 0 0 "[ . 1 . 2]" 1
254 1 38 LYS HB2 1 39 HIS H . . 3.950 3.620 2.698 4.072 0.122 15 0 "[ . 1 . 2]" 1
255 1 38 LYS HB3 1 39 HIS H . . 3.950 3.908 3.016 4.104 0.154 20 0 "[ . 1 . 2]" 1
256 1 39 HIS H 1 39 HIS HB2 . . 4.170 3.075 2.479 4.158 . 0 0 "[ . 1 . 2]" 1
257 1 39 HIS H 1 39 HIS HB3 . . 4.170 3.792 3.554 4.049 . 0 0 "[ . 1 . 2]" 1
258 1 39 HIS HA 1 39 HIS HD2 . . 4.200 3.644 2.648 4.290 0.090 10 0 "[ . 1 . 2]" 1
259 1 39 HIS QB 1 39 HIS HD2 . . 3.420 2.750 2.556 3.277 . 0 0 "[ . 1 . 2]" 1
260 1 39 HIS QB 1 40 GLY H . . 4.900 3.486 2.079 3.880 . 0 0 "[ . 1 . 2]" 1
261 1 39 HIS HB2 1 39 HIS HD2 . . 3.670 3.399 2.603 3.826 0.156 19 0 "[ . 1 . 2]" 1
262 1 39 HIS HB2 1 40 GLY H . . 5.130 3.932 2.132 4.504 . 0 0 "[ . 1 . 2]" 1
263 1 39 HIS HB3 1 39 HIS HD2 . . 3.670 3.231 2.691 3.804 0.134 16 0 "[ . 1 . 2]" 1
264 1 39 HIS HB3 1 40 GLY H . . 5.130 4.064 2.881 4.601 . 0 0 "[ . 1 . 2]" 1
265 1 40 GLY H 1 41 SER H . . 5.000 2.497 2.218 2.824 . 0 0 "[ . 1 . 2]" 1
266 1 41 SER H 1 42 ASP H . . 4.140 3.605 1.941 4.253 0.113 15 0 "[ . 1 . 2]" 1
267 1 41 SER HA 1 42 ASP H . . 3.020 2.420 2.017 3.087 0.067 11 0 "[ . 1 . 2]" 1
268 1 42 ASP H 1 43 LYS H . . 3.450 3.010 1.799 3.657 0.207 7 0 "[ . 1 . 2]" 1
269 1 43 LYS H 1 43 LYS HB2 . . 3.760 3.072 2.416 3.884 0.124 18 0 "[ . 1 . 2]" 1
270 1 43 LYS H 1 43 LYS QB . . 3.440 2.643 2.238 3.398 . 0 0 "[ . 1 . 2]" 1
271 1 43 LYS H 1 43 LYS HB3 . . 3.760 3.151 2.440 3.932 0.172 11 0 "[ . 1 . 2]" 1
272 1 43 LYS H 1 44 PRO HD2 . . 5.500 4.869 3.748 5.385 . 0 0 "[ . 1 . 2]" 1
273 1 43 LYS H 1 44 PRO HD3 . . 5.500 4.198 2.358 5.074 . 0 0 "[ . 1 . 2]" 1
274 1 43 LYS HA 1 44 PRO HD2 . . 3.050 2.532 2.054 3.022 . 0 0 "[ . 1 . 2]" 1
275 1 43 LYS HA 1 44 PRO HD3 . . 3.050 2.168 1.902 2.559 . 0 0 "[ . 1 . 2]" 1
276 1 43 LYS QB 1 44 PRO QD . . 5.030 3.134 1.989 3.853 . 0 0 "[ . 1 . 2]" 1
277 1 43 LYS HB2 1 44 PRO HD2 . . 5.500 4.110 2.037 5.251 . 0 0 "[ . 1 . 2]" 1
278 1 43 LYS HB2 1 44 PRO HD3 . . 5.500 4.446 2.959 4.928 . 0 0 "[ . 1 . 2]" 1
279 1 43 LYS HB3 1 44 PRO HD2 . . 5.500 3.971 2.103 5.261 . 0 0 "[ . 1 . 2]" 1
280 1 43 LYS HB3 1 44 PRO HD3 . . 5.500 4.377 3.157 5.160 . 0 0 "[ . 1 . 2]" 1
281 1 43 LYS QG 1 44 PRO HD2 . . 6.380 3.565 1.962 5.209 . 0 0 "[ . 1 . 2]" 1
282 1 43 LYS QG 1 44 PRO QD . . 6.210 3.293 1.951 4.389 . 0 0 "[ . 1 . 2]" 1
283 1 43 LYS QG 1 44 PRO HD3 . . 6.380 4.085 3.351 5.205 . 0 0 "[ . 1 . 2]" 1
284 1 44 PRO HA 1 45 LEU H . . 3.490 2.738 2.105 3.537 0.047 14 0 "[ . 1 . 2]" 1
285 1 45 LEU H 1 45 LEU HB2 . . 3.980 3.089 2.291 3.984 0.004 2 0 "[ . 1 . 2]" 1
286 1 45 LEU H 1 45 LEU QB . . 3.640 2.754 2.165 3.413 . 0 0 "[ . 1 . 2]" 1
287 1 45 LEU H 1 45 LEU HB3 . . 3.980 3.425 2.485 4.065 0.085 10 0 "[ . 1 . 2]" 1
288 1 45 LEU H 1 46 GLY H . . 4.290 3.891 2.301 4.400 0.110 9 0 "[ . 1 . 2]" 1
289 1 45 LEU HA 1 47 PHE QD . . 7.620 4.206 3.091 5.449 . 0 0 "[ . 1 . 2]" 1
290 1 45 LEU QB 1 46 GLY H . . 3.860 2.850 1.874 3.583 . 0 0 "[ . 1 . 2]" 1
291 1 45 LEU QB 1 47 PHE H . . 4.470 2.853 2.222 3.407 . 0 0 "[ . 1 . 2]" 1
292 1 45 LEU QB 1 47 PHE QD . . 6.220 3.345 2.153 4.718 . 0 0 "[ . 1 . 2]" 1
293 1 45 LEU QB 1 47 PHE QE . . 7.030 3.224 2.490 4.769 . 0 0 "[ . 1 . 2]" 1
294 1 45 LEU HB2 1 46 GLY H . . 4.170 3.418 2.018 4.280 0.110 18 0 "[ . 1 . 2]" 1
295 1 45 LEU HB2 1 47 PHE H . . 4.730 3.431 2.478 4.764 0.034 5 0 "[ . 1 . 2]" 1
296 1 45 LEU HB2 1 47 PHE QD . . 6.880 4.241 2.976 5.451 . 0 0 "[ . 1 . 2]" 1
297 1 45 LEU HB2 1 47 PHE QE . . 7.620 4.114 2.552 5.755 . 0 0 "[ . 1 . 2]" 1
298 1 45 LEU HB3 1 46 GLY H . . 4.170 3.407 1.882 4.197 0.027 17 0 "[ . 1 . 2]" 1
299 1 45 LEU HB3 1 47 PHE H . . 4.730 3.509 2.351 4.786 0.056 19 0 "[ . 1 . 2]" 1
300 1 45 LEU HB3 1 47 PHE QD . . 6.880 3.875 2.167 5.167 . 0 0 "[ . 1 . 2]" 1
301 1 45 LEU HB3 1 47 PHE QE . . 7.620 3.580 2.676 5.599 . 0 0 "[ . 1 . 2]" 1
302 1 45 LEU QD 1 46 GLY H . . 7.600 3.813 3.077 4.353 . 0 0 "[ . 1 . 2]" 1
303 1 45 LEU QD 1 47 PHE H . . 8.100 3.585 2.057 4.593 . 0 0 "[ . 1 . 2]" 1
304 1 45 LEU QD 1 47 PHE QB . . 7.830 4.657 4.133 5.322 . 0 0 "[ . 1 . 2]" 1
305 1 45 LEU QD 1 47 PHE QD . . 7.890 3.676 2.950 4.573 . 0 0 "[ . 1 . 2]" 1
306 1 45 LEU QD 1 47 PHE QE . . 8.110 3.177 2.306 4.833 . 0 0 "[ . 1 . 2]" 1
307 1 45 LEU QD 1 47 PHE HZ . . 6.360 3.512 2.231 6.015 . 0 0 "[ . 1 . 2]" 1
308 1 46 GLY H 1 47 PHE H . . 3.830 2.698 1.877 3.397 . 0 0 "[ . 1 . 2]" 1
309 1 46 GLY H 1 47 PHE QB . . 4.860 4.535 3.850 4.993 0.133 7 0 "[ . 1 . 2]" 1
310 1 46 GLY H 1 47 PHE QD . . 7.220 3.298 2.270 4.798 . 0 0 "[ . 1 . 2]" 1
311 1 46 GLY QA 1 74 VAL H . . 5.610 3.764 2.938 4.804 . 0 0 "[ . 1 . 2]" 1
312 1 46 GLY QA 1 74 VAL QG . . 7.500 2.826 1.786 3.698 . 0 0 "[ . 1 . 2]" 1
313 1 46 GLY HA2 1 74 VAL HB . . 4.730 2.865 1.958 3.921 . 0 0 "[ . 1 . 2]" 1
314 1 46 GLY HA2 1 74 VAL MG1 . . 9.240 3.692 1.828 4.643 . 0 0 "[ . 1 . 2]" 1
315 1 46 GLY HA2 1 74 VAL MG2 . . 9.240 3.249 2.128 4.305 . 0 0 "[ . 1 . 2]" 1
316 1 46 GLY HA3 1 74 VAL HB . . 4.730 4.010 2.371 4.830 0.100 6 0 "[ . 1 . 2]" 1
317 1 46 GLY HA3 1 74 VAL MG1 . . 9.240 4.617 2.382 5.532 . 0 0 "[ . 1 . 2]" 1
318 1 46 GLY HA3 1 74 VAL MG2 . . 9.240 4.555 3.381 5.462 . 0 0 "[ . 1 . 2]" 1
319 1 47 PHE HA 1 48 TYR H . . 3.360 2.227 2.075 2.330 . 0 0 "[ . 1 . 2]" 1
320 1 47 PHE HA 1 48 TYR QD . . 6.680 3.999 3.460 4.616 . 0 0 "[ . 1 . 2]" 1
321 1 47 PHE HA 1 73 LEU HA . . 3.830 3.275 2.835 3.777 . 0 0 "[ . 1 . 2]" 1
322 1 47 PHE HA 1 73 LEU QD . . 6.730 2.596 1.967 3.857 . 0 0 "[ . 1 . 2]" 1
323 1 47 PHE HA 1 73 LEU HG . . 5.500 4.447 3.463 5.458 . 0 0 "[ . 1 . 2]" 1
324 1 47 PHE HA 1 74 VAL H . . 4.230 3.905 3.376 4.275 0.045 17 0 "[ . 1 . 2]" 1
325 1 47 PHE HA 1 74 VAL HB . . 5.500 5.359 4.396 5.537 0.037 19 0 "[ . 1 . 2]" 1
326 1 47 PHE HA 1 79 ALA MB . . 6.530 3.171 2.901 3.555 . 0 0 "[ . 1 . 2]" 1
327 1 47 PHE HA 1 120 ILE MG . . 5.880 5.958 5.705 6.050 0.170 20 0 "[ . 1 . 2]" 1
328 1 47 PHE QB 1 48 TYR H . . 3.900 2.854 2.664 3.087 . 0 0 "[ . 1 . 2]" 1
329 1 47 PHE QB 1 73 LEU QD . . 6.120 3.341 2.631 4.543 . 0 0 "[ . 1 . 2]" 1
330 1 47 PHE QB 1 79 ALA MB . . 5.800 2.350 1.894 3.041 . 0 0 "[ . 1 . 2]" 1
331 1 47 PHE HB2 1 48 TYR H . . 4.110 2.918 2.709 3.188 . 0 0 "[ . 1 . 2]" 1
332 1 47 PHE HB2 1 73 LEU MD1 . . 7.750 5.227 3.635 6.536 . 0 0 "[ . 1 . 2]" 1
333 1 47 PHE HB2 1 73 LEU MD2 . . 7.750 4.594 3.319 6.234 . 0 0 "[ . 1 . 2]" 1
334 1 47 PHE HB3 1 48 TYR H . . 4.110 4.047 3.926 4.135 0.025 2 0 "[ . 1 . 2]" 1
335 1 47 PHE HB3 1 73 LEU MD1 . . 7.750 5.091 3.398 6.458 . 0 0 "[ . 1 . 2]" 1
336 1 47 PHE HB3 1 73 LEU MD2 . . 7.750 4.340 2.751 6.089 . 0 0 "[ . 1 . 2]" 1
337 1 47 PHE QD 1 48 TYR H . . 7.620 3.699 3.427 4.119 . 0 0 "[ . 1 . 2]" 1
338 1 47 PHE QD 1 70 ILE HA . . 7.620 5.365 4.403 6.291 . 0 0 "[ . 1 . 2]" 1
339 1 47 PHE QD 1 70 ILE MD . . 7.530 5.270 4.003 5.889 . 0 0 "[ . 1 . 2]" 1
340 1 47 PHE QD 1 70 ILE MG . . 8.650 4.636 3.840 5.064 . 0 0 "[ . 1 . 2]" 1
341 1 47 PHE QD 1 72 ARG H . . 6.440 6.449 6.175 6.583 0.143 19 0 "[ . 1 . 2]" 1
342 1 47 PHE QD 1 73 LEU QD . . 10.220 4.822 4.144 5.855 . 0 0 "[ . 1 . 2]" 1
343 1 47 PHE QD 1 79 ALA MB . . 7.380 4.022 3.265 4.776 . 0 0 "[ . 1 . 2]" 1
344 1 47 PHE QD 1 111 MET ME . . 8.030 4.104 3.208 4.524 . 0 0 "[ . 1 . 2]" 1
345 1 47 PHE QE 1 49 ILE MG . . 7.190 3.753 2.327 6.121 . 0 0 "[ . 1 . 2]" 1
346 1 47 PHE QE 1 70 ILE MD . . 7.810 6.798 5.486 7.317 . 0 0 "[ . 1 . 2]" 1
347 1 47 PHE QE 1 111 MET ME . . 7.660 2.439 1.972 3.475 . 0 0 "[ . 1 . 2]" 1
348 1 47 PHE QE 1 118 LEU HG . . 6.660 4.308 2.808 5.057 . 0 0 "[ . 1 . 2]" 1
349 1 47 PHE QE 1 120 ILE MD . . 8.530 3.178 2.257 4.097 . 0 0 "[ . 1 . 2]" 1
350 1 47 PHE HZ 1 111 MET ME . . 5.350 3.254 1.976 5.179 . 0 0 "[ . 1 . 2]" 1
351 1 47 PHE HZ 1 118 LEU HG . . 3.950 3.766 2.952 4.025 0.075 5 0 "[ . 1 . 2]" 1
352 1 47 PHE HZ 1 120 ILE MD . . 5.100 4.210 3.516 5.014 . 0 0 "[ . 1 . 2]" 1
353 1 48 TYR H 1 72 ARG H . . 4.230 3.452 2.953 3.741 . 0 0 "[ . 1 . 2]" 1
354 1 48 TYR H 1 79 ALA MB . . 4.140 4.284 4.174 4.414 0.274 1 0 "[ . 1 . 2]" 1
355 1 48 TYR HA 1 49 ILE H . . 3.550 2.187 2.043 2.415 . 0 0 "[ . 1 . 2]" 1
356 1 48 TYR QB 1 72 ARG QB . . 5.650 2.336 1.909 3.837 . 0 0 "[ . 1 . 2]" 1
357 1 48 TYR HB2 1 49 ILE H . . 3.920 3.919 3.664 3.996 0.076 4 0 "[ . 1 . 2]" 1
358 1 48 TYR HB2 1 72 ARG H . . 5.500 2.200 1.839 2.700 . 0 0 "[ . 1 . 2]" 1
359 1 48 TYR HB2 1 72 ARG HB2 . . 7.060 3.042 1.938 4.474 . 0 0 "[ . 1 . 2]" 1
360 1 48 TYR HB2 1 72 ARG HB3 . . 7.060 3.209 2.119 4.510 . 0 0 "[ . 1 . 2]" 1
361 1 48 TYR HB2 1 72 ARG QG . . 6.380 3.646 2.226 4.687 . 0 0 "[ . 1 . 2]" 1
362 1 48 TYR HB3 1 49 ILE H . . 3.920 2.781 2.400 2.987 . 0 0 "[ . 1 . 2]" 1
363 1 48 TYR HB3 1 72 ARG H . . 5.500 3.289 2.918 3.663 . 0 0 "[ . 1 . 2]" 1
364 1 48 TYR HB3 1 72 ARG HB2 . . 7.060 3.988 2.587 5.706 . 0 0 "[ . 1 . 2]" 1
365 1 48 TYR HB3 1 72 ARG HB3 . . 7.060 4.290 2.952 5.390 . 0 0 "[ . 1 . 2]" 1
366 1 48 TYR HB3 1 72 ARG QG . . 6.380 4.388 2.858 5.515 . 0 0 "[ . 1 . 2]" 1
367 1 48 TYR QD 1 72 ARG H . . 7.640 3.943 3.399 4.508 . 0 0 "[ . 1 . 2]" 1
368 1 48 TYR QD 1 72 ARG HB2 . . 6.460 3.451 2.239 5.067 . 0 0 "[ . 1 . 2]" 1
369 1 48 TYR QD 1 72 ARG QB . . 6.190 2.722 2.151 4.161 . 0 0 "[ . 1 . 2]" 1
370 1 48 TYR QD 1 72 ARG HB3 . . 6.460 3.231 2.163 5.205 . 0 0 "[ . 1 . 2]" 1
371 1 48 TYR QD 1 72 ARG HD2 . . 7.640 4.494 3.828 5.895 . 0 0 "[ . 1 . 2]" 1
372 1 48 TYR QD 1 72 ARG HD3 . . 7.640 4.393 2.929 5.438 . 0 0 "[ . 1 . 2]" 1
373 1 48 TYR QD 1 72 ARG QG . . 8.140 3.622 2.282 5.126 . 0 0 "[ . 1 . 2]" 1
374 1 48 TYR QD 1 74 VAL QG . . 8.430 3.003 2.583 4.183 . 0 0 "[ . 1 . 2]" 1
375 1 48 TYR QE 1 72 ARG QB . . 8.510 4.197 3.504 5.462 . 0 0 "[ . 1 . 2]" 1
376 1 48 TYR QE 1 72 ARG HD2 . . 7.630 5.132 4.180 7.670 0.040 9 0 "[ . 1 . 2]" 1
377 1 48 TYR QE 1 72 ARG QD . . 7.400 4.295 2.949 6.448 . 0 0 "[ . 1 . 2]" 1
378 1 48 TYR QE 1 72 ARG HD3 . . 7.630 4.887 2.987 6.933 . 0 0 "[ . 1 . 2]" 1
379 1 48 TYR QE 1 72 ARG QG . . 8.510 4.740 3.136 6.658 . 0 0 "[ . 1 . 2]" 1
380 1 48 TYR QE 1 74 VAL MG1 . . 8.660 4.114 2.879 5.116 . 0 0 "[ . 1 . 2]" 1
381 1 48 TYR QE 1 74 VAL QG . . 7.410 2.061 1.836 2.945 . 0 0 "[ . 1 . 2]" 1
382 1 48 TYR QE 1 74 VAL MG2 . . 8.660 2.123 1.838 3.469 . 0 0 "[ . 1 . 2]" 1
383 1 49 ILE H 1 49 ILE MD . . 5.630 3.256 1.724 4.076 . 0 0 "[ . 1 . 2]" 1
384 1 49 ILE H 1 49 ILE HG12 . . 5.100 3.087 2.182 4.385 . 0 0 "[ . 1 . 2]" 1
385 1 49 ILE H 1 49 ILE QG . . 4.790 2.437 2.126 3.574 . 0 0 "[ . 1 . 2]" 1
386 1 49 ILE H 1 49 ILE HG13 . . 5.100 2.923 2.256 4.135 . 0 0 "[ . 1 . 2]" 1
387 1 49 ILE HA 1 50 ARG H . . 3.240 2.221 2.143 2.302 . 0 0 "[ . 1 . 2]" 1
388 1 49 ILE HA 1 70 ILE HA . . 3.580 2.393 2.059 2.642 . 0 0 "[ . 1 . 2]" 1
389 1 49 ILE HA 1 70 ILE MD . . 6.530 5.700 5.192 5.953 . 0 0 "[ . 1 . 2]" 1
390 1 49 ILE HA 1 71 SER H . . 3.550 2.349 2.087 2.609 . 0 0 "[ . 1 . 2]" 1
391 1 49 ILE HA 1 72 ARG H . . 4.570 4.203 3.848 4.602 0.032 1 0 "[ . 1 . 2]" 1
392 1 49 ILE HB 1 50 ARG H . . 3.580 2.865 2.569 3.681 0.101 16 0 "[ . 1 . 2]" 1
393 1 49 ILE HB 1 71 SER H . . 5.500 4.769 4.519 5.256 . 0 0 "[ . 1 . 2]" 1
394 1 49 ILE MD 1 50 ARG H . . 6.470 4.395 3.618 4.882 . 0 0 "[ . 1 . 2]" 1
395 1 49 ILE MD 1 50 ARG QB . . 6.260 5.509 4.304 6.284 0.024 6 0 "[ . 1 . 2]" 1
396 1 49 ILE QG 1 50 ARG H . . 6.070 4.150 3.753 4.647 . 0 0 "[ . 1 . 2]" 1
397 1 49 ILE MG 1 50 ARG H . . 5.850 3.610 2.124 3.895 . 0 0 "[ . 1 . 2]" 1
398 1 49 ILE MG 1 70 ILE HA . . 5.040 2.319 1.944 3.411 . 0 0 "[ . 1 . 2]" 1
399 1 49 ILE MG 1 71 SER H . . 5.970 3.592 3.237 4.288 . 0 0 "[ . 1 . 2]" 1
400 1 49 ILE MG 1 72 ARG H . . 6.530 5.017 4.618 6.027 . 0 0 "[ . 1 . 2]" 1
401 1 50 ARG H 1 50 ARG QB . . 3.810 2.709 2.434 3.230 . 0 0 "[ . 1 . 2]" 1
402 1 50 ARG H 1 69 PHE HB2 . . 5.500 4.444 3.852 5.149 . 0 0 "[ . 1 . 2]" 1
403 1 50 ARG H 1 69 PHE HB3 . . 5.500 5.404 4.852 5.578 0.078 10 0 "[ . 1 . 2]" 1
404 1 50 ARG H 1 70 ILE HA . . 5.280 3.812 3.119 4.126 . 0 0 "[ . 1 . 2]" 1
405 1 50 ARG H 1 71 SER H . . 4.730 3.678 3.342 4.138 . 0 0 "[ . 1 . 2]" 1
406 1 50 ARG H 1 71 SER HB2 . . 5.500 4.011 2.393 5.225 . 0 0 "[ . 1 . 2]" 1
407 1 50 ARG H 1 71 SER HB3 . . 5.500 3.371 2.505 4.592 . 0 0 "[ . 1 . 2]" 1
408 1 50 ARG H 1 104 LEU QD . . 8.000 5.352 3.598 7.619 . 0 0 "[ . 1 . 2]" 1
409 1 50 ARG HA 1 51 ASP H . . 3.420 2.293 2.028 2.439 . 0 0 "[ . 1 . 2]" 1
410 1 50 ARG HA 1 104 LEU QD . . 6.240 3.378 1.920 6.216 . 0 0 "[ . 1 . 2]" 1
411 1 50 ARG QB 1 71 SER QB . . 5.010 2.196 1.717 3.482 . 0 0 "[ . 1 . 2]" 1
412 1 50 ARG HB2 1 51 ASP H . . 3.830 3.717 2.439 3.924 0.094 15 0 "[ . 1 . 2]" 1
413 1 50 ARG HB2 1 71 SER HB2 . . 5.500 2.959 2.164 5.504 0.004 8 0 "[ . 1 . 2]" 1
414 1 50 ARG HB2 1 71 SER HB3 . . 5.500 2.915 1.842 4.780 . 0 0 "[ . 1 . 2]" 1
415 1 50 ARG HB3 1 51 ASP H . . 3.830 3.184 2.333 3.896 0.066 11 0 "[ . 1 . 2]" 1
416 1 50 ARG HB3 1 71 SER HB2 . . 5.500 3.800 2.902 5.521 0.021 7 0 "[ . 1 . 2]" 1
417 1 50 ARG HB3 1 71 SER HB3 . . 5.500 3.486 1.827 5.445 . 0 0 "[ . 1 . 2]" 1
418 1 50 ARG QG 1 69 PHE H . . 6.380 5.308 3.917 5.995 . 0 0 "[ . 1 . 2]" 1
419 1 50 ARG QG 1 71 SER QB . . 4.790 2.908 1.866 3.849 . 0 0 "[ . 1 . 2]" 1
420 1 50 ARG HG2 1 51 ASP H . . 5.500 3.502 1.844 5.036 . 0 0 "[ . 1 . 2]" 1
421 1 50 ARG HG2 1 71 SER HB2 . . 5.160 4.048 2.036 5.245 0.085 1 0 "[ . 1 . 2]" 1
422 1 50 ARG HG2 1 71 SER HB3 . . 5.160 3.685 1.914 4.630 . 0 0 "[ . 1 . 2]" 1
423 1 50 ARG HG3 1 51 ASP H . . 5.500 3.648 2.427 5.000 . 0 0 "[ . 1 . 2]" 1
424 1 50 ARG HG3 1 71 SER HB2 . . 5.160 4.080 2.236 5.204 0.044 9 0 "[ . 1 . 2]" 1
425 1 50 ARG HG3 1 71 SER HB3 . . 5.160 3.840 2.831 4.734 . 0 0 "[ . 1 . 2]" 1
426 1 51 ASP H 1 104 LEU QD . . 6.180 2.769 1.665 4.992 . 0 0 "[ . 1 . 2]" 1
427 1 51 ASP HA 1 52 GLY H . . 3.050 2.126 2.002 2.273 . 0 0 "[ . 1 . 2]" 1
428 1 51 ASP HA 1 68 ILE HA . . 3.360 2.284 1.820 3.304 . 0 0 "[ . 1 . 2]" 1
429 1 51 ASP HA 1 68 ILE MD . . 4.790 4.176 1.971 4.878 0.088 14 0 "[ . 1 . 2]" 1
430 1 51 ASP HA 1 68 ILE MG . . 5.880 3.409 1.798 4.523 . 0 0 "[ . 1 . 2]" 1
431 1 51 ASP HA 1 69 PHE H . . 4.110 3.574 3.147 4.072 . 0 0 "[ . 1 . 2]" 1
432 1 51 ASP HA 1 104 LEU QD . . 7.570 4.243 3.131 5.463 . 0 0 "[ . 1 . 2]" 1
433 1 51 ASP QB 1 68 ILE MD . . 7.190 3.830 2.687 5.296 . 0 0 "[ . 1 . 2]" 1
434 1 52 GLY H 1 68 ILE HA . . 4.510 3.119 2.597 3.655 . 0 0 "[ . 1 . 2]" 1
435 1 52 GLY H 1 68 ILE MD . . 6.530 5.487 2.984 6.205 . 0 0 "[ . 1 . 2]" 1
436 1 52 GLY H 1 69 PHE QD . . 6.410 3.652 2.934 4.809 . 0 0 "[ . 1 . 2]" 1
437 1 52 GLY H 1 69 PHE QE . . 7.620 4.003 2.887 5.388 . 0 0 "[ . 1 . 2]" 1
438 1 52 GLY QA 1 67 GLY H . . 5.170 4.251 3.873 5.203 0.033 12 0 "[ . 1 . 2]" 1
439 1 52 GLY QA 1 69 PHE QD . . 7.420 3.364 2.190 4.828 . 0 0 "[ . 1 . 2]" 1
440 1 52 GLY QA 1 69 PHE QE . . 7.190 3.437 2.163 5.562 . 0 0 "[ . 1 . 2]" 1
441 1 52 GLY HA2 1 69 PHE QE . . 7.620 4.966 3.605 7.076 . 0 0 "[ . 1 . 2]" 1
442 1 52 GLY HA3 1 69 PHE QE . . 7.620 3.516 2.175 5.817 . 0 0 "[ . 1 . 2]" 1
443 1 53 THR H 1 53 THR HB . . 3.140 2.932 2.621 3.370 0.230 20 0 "[ . 1 . 2]" 1
444 1 53 THR H 1 54 SER H . . 4.730 4.344 4.264 4.439 . 0 0 "[ . 1 . 2]" 1
445 1 53 THR H 1 69 PHE QE . . 7.620 4.830 2.329 6.935 . 0 0 "[ . 1 . 2]" 1
446 1 53 THR HA 1 54 SER H . . 2.960 2.119 1.990 2.231 . 0 0 "[ . 1 . 2]" 1
447 1 53 THR HA 1 54 SER QB . . 5.230 4.045 3.812 4.338 . 0 0 "[ . 1 . 2]" 1
448 1 53 THR HB 1 54 SER H . . 3.450 3.479 2.878 3.675 0.225 15 0 "[ . 1 . 2]" 1
449 1 53 THR HB 1 55 VAL QG . . 7.370 4.770 3.167 6.207 . 0 0 "[ . 1 . 2]" 1
450 1 53 THR HB 1 64 LYS QD . . 6.280 3.415 1.917 5.632 . 0 0 "[ . 1 . 2]" 1
451 1 53 THR HB 1 64 LYS QG . . 6.380 4.024 2.131 5.786 . 0 0 "[ . 1 . 2]" 1
452 1 53 THR HB 1 65 GLN H . . 5.100 4.909 4.153 5.175 0.075 2 0 "[ . 1 . 2]" 1
453 1 53 THR MG 1 54 SER H . . 4.700 2.869 2.207 3.869 . 0 0 "[ . 1 . 2]" 1
454 1 53 THR MG 1 64 LYS QB . . 5.950 2.751 1.769 4.510 . 0 0 "[ . 1 . 2]" 1
455 1 53 THR MG 1 64 LYS QD . . 5.230 2.582 1.903 4.597 . 0 0 "[ . 1 . 2]" 1
456 1 53 THR MG 1 64 LYS QE . . 7.400 3.460 1.961 5.486 . 0 0 "[ . 1 . 2]" 1
457 1 53 THR MG 1 65 GLN H . . 4.880 3.490 2.645 4.938 0.058 19 0 "[ . 1 . 2]" 1
458 1 53 THR MG 1 67 GLY H . . 5.320 4.280 3.311 5.224 . 0 0 "[ . 1 . 2]" 1
459 1 54 SER H 1 65 GLN H . . 3.760 2.901 2.542 3.297 . 0 0 "[ . 1 . 2]" 1
460 1 54 SER H 1 67 GLY H . . 4.850 3.890 2.941 4.854 0.004 2 0 "[ . 1 . 2]" 1
461 1 54 SER H 1 69 PHE QE . . 7.620 4.885 3.742 7.642 0.022 10 0 "[ . 1 . 2]" 1
462 1 54 SER QB 1 55 VAL H . . 4.240 3.553 2.997 3.890 . 0 0 "[ . 1 . 2]" 1
463 1 54 SER QB 1 56 ARG QG . . 7.250 3.952 3.146 5.659 . 0 0 "[ . 1 . 2]" 1
464 1 54 SER QB 1 65 GLN H . . 6.380 3.561 2.971 4.406 . 0 0 "[ . 1 . 2]" 1
465 1 54 SER QB 1 65 GLN HB2 . . 6.380 4.228 2.388 6.040 . 0 0 "[ . 1 . 2]" 1
466 1 54 SER QB 1 65 GLN HB3 . . 6.380 4.296 2.920 5.948 . 0 0 "[ . 1 . 2]" 1
467 1 54 SER QB 1 65 GLN QG . . 7.250 3.748 1.872 5.726 . 0 0 "[ . 1 . 2]" 1
468 1 54 SER QB 1 69 PHE QE . . 8.500 3.652 2.540 6.636 . 0 0 "[ . 1 . 2]" 1
469 1 55 VAL H 1 55 VAL HB . . 3.110 2.826 2.510 3.107 . 0 0 "[ . 1 . 2]" 1
470 1 55 VAL H 1 56 ARG H . . 4.350 4.356 4.295 4.411 0.061 17 0 "[ . 1 . 2]" 1
471 1 55 VAL HA 1 64 LYS HA . . 3.300 2.243 1.972 2.557 . 0 0 "[ . 1 . 2]" 1
472 1 55 VAL HA 1 64 LYS QE . . 5.350 4.894 3.983 5.438 0.088 6 0 "[ . 1 . 2]" 1
473 1 55 VAL HA 1 64 LYS HG2 . . 5.500 3.741 2.275 5.445 . 0 0 "[ . 1 . 2]" 1
474 1 55 VAL HA 1 64 LYS QG . . 5.050 3.155 2.255 4.915 . 0 0 "[ . 1 . 2]" 1
475 1 55 VAL HA 1 64 LYS HG3 . . 5.500 3.910 2.914 5.597 0.097 9 0 "[ . 1 . 2]" 1
476 1 55 VAL HA 1 65 GLN H . . 4.850 3.593 3.184 3.921 . 0 0 "[ . 1 . 2]" 1
477 1 55 VAL HB 1 56 ARG H . . 4.170 4.175 4.093 4.211 0.041 2 0 "[ . 1 . 2]" 1
478 1 55 VAL QG 1 62 LEU QB . . 6.640 2.223 1.957 2.568 . 0 0 "[ . 1 . 2]" 1
479 1 55 VAL QG 1 62 LEU HG . . 5.270 3.681 3.034 4.751 . 0 0 "[ . 1 . 2]" 1
480 1 55 VAL QG 1 63 GLU H . . 7.060 3.210 2.689 3.623 . 0 0 "[ . 1 . 2]" 1
481 1 55 VAL QG 1 64 LYS HA . . 6.790 3.305 2.944 3.651 . 0 0 "[ . 1 . 2]" 1
482 1 55 VAL QG 1 64 LYS QB . . 7.150 3.467 2.109 4.560 . 0 0 "[ . 1 . 2]" 1
483 1 55 VAL QG 1 64 LYS QD . . 7.450 3.773 2.333 5.180 . 0 0 "[ . 1 . 2]" 1
484 1 55 VAL QG 1 64 LYS QE . . 8.310 3.420 2.063 4.753 . 0 0 "[ . 1 . 2]" 1
485 1 55 VAL QG 1 64 LYS QG . . 5.870 2.841 1.799 4.256 . 0 0 "[ . 1 . 2]" 1
486 1 55 VAL QG 1 65 GLN H . . 8.090 4.625 4.030 5.022 . 0 0 "[ . 1 . 2]" 1
487 1 55 VAL MG1 1 56 ARG H . . 4.920 3.611 2.772 4.093 . 0 0 "[ . 1 . 2]" 1
488 1 55 VAL MG1 1 64 LYS HB2 . . 8.870 5.435 3.145 7.224 . 0 0 "[ . 1 . 2]" 1
489 1 55 VAL MG1 1 64 LYS HB3 . . 8.870 5.367 3.671 6.579 . 0 0 "[ . 1 . 2]" 1
490 1 55 VAL MG1 1 64 LYS HG2 . . 7.510 4.613 2.497 6.480 . 0 0 "[ . 1 . 2]" 1
491 1 55 VAL MG1 1 64 LYS HG3 . . 7.510 4.706 3.039 6.983 . 0 0 "[ . 1 . 2]" 1
492 1 55 VAL MG2 1 56 ARG H . . 4.920 3.212 2.494 4.333 . 0 0 "[ . 1 . 2]" 1
493 1 55 VAL MG2 1 64 LYS HB2 . . 8.870 4.180 2.159 5.530 . 0 0 "[ . 1 . 2]" 1
494 1 55 VAL MG2 1 64 LYS HB3 . . 8.870 4.242 2.713 5.152 . 0 0 "[ . 1 . 2]" 1
495 1 55 VAL MG2 1 64 LYS HG2 . . 7.510 3.518 1.870 5.678 . 0 0 "[ . 1 . 2]" 1
496 1 55 VAL MG2 1 64 LYS HG3 . . 7.510 3.542 2.426 5.512 . 0 0 "[ . 1 . 2]" 1
497 1 56 ARG H 1 56 ARG HB2 . . 3.520 2.651 2.474 3.629 0.109 18 0 "[ . 1 . 2]" 1
498 1 56 ARG H 1 56 ARG HB3 . . 3.520 3.539 2.506 3.664 0.144 17 0 "[ . 1 . 2]" 1
499 1 56 ARG H 1 63 GLU H . . 3.860 3.049 2.781 3.447 . 0 0 "[ . 1 . 2]" 1
500 1 56 ARG H 1 63 GLU HB2 . . 5.500 4.111 3.355 5.251 . 0 0 "[ . 1 . 2]" 1
501 1 56 ARG H 1 63 GLU QB . . 5.320 3.920 3.276 4.803 . 0 0 "[ . 1 . 2]" 1
502 1 56 ARG H 1 63 GLU HB3 . . 5.500 5.034 4.536 5.563 0.063 8 0 "[ . 1 . 2]" 1
503 1 56 ARG H 1 64 LYS HA . . 4.350 3.315 3.018 3.732 . 0 0 "[ . 1 . 2]" 1
504 1 56 ARG HA 1 57 VAL H . . 3.210 2.262 2.129 2.347 . 0 0 "[ . 1 . 2]" 1
505 1 56 ARG QB 1 58 THR MG . . 6.730 2.835 2.336 3.882 . 0 0 "[ . 1 . 2]" 1
506 1 56 ARG QB 1 63 GLU H . . 4.990 3.722 2.967 4.595 . 0 0 "[ . 1 . 2]" 1
507 1 56 ARG HB2 1 57 VAL H . . 3.550 3.518 2.374 3.715 0.165 12 0 "[ . 1 . 2]" 1
508 1 56 ARG HB2 1 63 GLU H . . 5.380 3.922 3.012 5.105 . 0 0 "[ . 1 . 2]" 1
509 1 56 ARG HB3 1 57 VAL H . . 3.550 2.701 2.375 3.624 0.074 18 0 "[ . 1 . 2]" 1
510 1 56 ARG HB3 1 63 GLU H . . 5.380 4.903 3.757 5.452 0.072 18 0 "[ . 1 . 2]" 1
511 1 56 ARG QD 1 57 VAL H . . 6.380 4.321 3.290 5.270 . 0 0 "[ . 1 . 2]" 1
512 1 56 ARG QD 1 58 THR MG . . 6.970 4.158 2.661 5.594 . 0 0 "[ . 1 . 2]" 1
513 1 56 ARG QG 1 58 THR MG . . 6.130 4.068 2.125 5.052 . 0 0 "[ . 1 . 2]" 1
514 1 57 VAL H 1 57 VAL HB . . 2.870 2.663 2.568 2.953 0.083 12 0 "[ . 1 . 2]" 1
515 1 57 VAL H 1 58 THR MG . . 6.190 4.041 3.545 4.396 . 0 0 "[ . 1 . 2]" 1
516 1 57 VAL HA 1 58 THR H . . 2.650 2.108 2.047 2.147 . 0 0 "[ . 1 . 2]" 1
517 1 57 VAL HA 1 58 THR MG . . 5.130 3.859 3.723 4.004 . 0 0 "[ . 1 . 2]" 1
518 1 57 VAL HA 1 62 LEU HA . . 2.930 2.405 2.087 2.770 . 0 0 "[ . 1 . 2]" 1
519 1 57 VAL HA 1 62 LEU QD . . 5.830 4.421 2.465 5.060 . 0 0 "[ . 1 . 2]" 1
520 1 57 VAL HA 1 63 GLU H . . 3.640 3.489 3.197 3.670 0.030 20 0 "[ . 1 . 2]" 1
521 1 57 VAL QG 1 58 THR H . . 6.380 2.980 2.811 3.105 . 0 0 "[ . 1 . 2]" 1
522 1 57 VAL QG 1 60 SER H . . 8.090 5.484 5.131 5.701 . 0 0 "[ . 1 . 2]" 1
523 1 57 VAL QG 1 61 GLY H . . 8.090 4.338 4.095 4.677 . 0 0 "[ . 1 . 2]" 1
524 1 58 THR H 1 58 THR HB . . 4.110 3.660 3.587 3.740 . 0 0 "[ . 1 . 2]" 1
525 1 58 THR H 1 58 THR MG . . 4.510 2.794 2.662 2.926 . 0 0 "[ . 1 . 2]" 1
526 1 58 THR H 1 61 GLY H . . 3.760 3.241 3.100 3.474 . 0 0 "[ . 1 . 2]" 1
527 1 58 THR HA 1 58 THR HB . . 2.770 2.497 2.465 2.522 . 0 0 "[ . 1 . 2]" 1
528 1 58 THR HA 1 59 ALA H . . 3.300 2.548 2.491 2.602 . 0 0 "[ . 1 . 2]" 1
529 1 58 THR HA 1 59 ALA MB . . 5.130 4.212 4.134 4.279 . 0 0 "[ . 1 . 2]" 1
530 1 58 THR HA 1 60 SER H . . 4.110 3.997 3.892 4.120 0.010 5 0 "[ . 1 . 2]" 1
531 1 58 THR HB 1 59 ALA H . . 3.110 2.133 2.055 2.272 . 0 0 "[ . 1 . 2]" 1
532 1 58 THR HB 1 59 ALA MB . . 4.700 3.787 3.649 3.965 . 0 0 "[ . 1 . 2]" 1
533 1 58 THR HB 1 60 SER H . . 3.210 2.401 2.287 2.557 . 0 0 "[ . 1 . 2]" 1
534 1 58 THR HB 1 61 GLY H . . 3.800 3.882 3.852 3.913 0.113 3 0 "[ . 1 . 2]" 1
535 1 58 THR MG 1 59 ALA H . . 5.470 3.562 3.393 3.629 . 0 0 "[ . 1 . 2]" 1
536 1 58 THR MG 1 60 SER H . . 6.310 3.916 3.823 4.079 . 0 0 "[ . 1 . 2]" 1
537 1 58 THR MG 1 61 GLY H . . 6.530 4.547 4.425 4.696 . 0 0 "[ . 1 . 2]" 1
538 1 58 THR MG 1 63 GLU H . . 5.810 3.879 3.330 4.460 . 0 0 "[ . 1 . 2]" 1
539 1 58 THR MG 1 63 GLU HB2 . . 4.950 3.511 2.706 4.950 . 0 0 "[ . 1 . 2]" 1
540 1 58 THR MG 1 63 GLU QB . . 4.730 3.303 2.660 4.193 . 0 0 "[ . 1 . 2]" 1
541 1 58 THR MG 1 63 GLU HB3 . . 4.950 4.415 3.928 4.938 . 0 0 "[ . 1 . 2]" 1
542 1 58 THR MG 1 63 GLU HG2 . . 5.630 3.833 2.493 5.050 . 0 0 "[ . 1 . 2]" 1
543 1 58 THR MG 1 63 GLU QG . . 5.300 3.055 2.111 3.736 . 0 0 "[ . 1 . 2]" 1
544 1 58 THR MG 1 63 GLU HG3 . . 5.630 3.242 2.278 3.850 . 0 0 "[ . 1 . 2]" 1
545 1 59 ALA H 1 59 ALA HA . . 2.900 2.846 2.823 2.887 . 0 0 "[ . 1 . 2]" 1
546 1 59 ALA H 1 60 SER H . . 3.670 2.477 2.317 2.586 . 0 0 "[ . 1 . 2]" 1
547 1 59 ALA HA 1 61 GLY H . . 3.420 3.447 3.264 3.503 0.083 15 0 "[ . 1 . 2]" 1
548 1 59 ALA MB 1 61 GLY H . . 6.530 4.283 4.214 4.360 . 0 0 "[ . 1 . 2]" 1
549 1 60 SER H 1 61 GLY H . . 3.110 2.313 2.149 2.434 . 0 0 "[ . 1 . 2]" 1
550 1 61 GLY QA 1 62 LEU H . . 2.740 2.304 2.171 2.391 . 0 0 "[ . 1 . 2]" 1
551 1 61 GLY HA2 1 62 LEU H . . 2.960 2.898 2.726 3.009 0.049 4 0 "[ . 1 . 2]" 1
552 1 61 GLY HA3 1 62 LEU H . . 2.960 2.428 2.228 2.576 . 0 0 "[ . 1 . 2]" 1
553 1 62 LEU H 1 62 LEU HB2 . . 3.240 3.353 2.247 3.499 0.259 13 0 "[ . 1 . 2]" 1
554 1 62 LEU H 1 62 LEU QB . . 2.960 2.660 2.217 2.990 0.030 20 0 "[ . 1 . 2]" 1
555 1 62 LEU H 1 62 LEU HB3 . . 3.240 2.893 2.607 3.447 0.207 4 0 "[ . 1 . 2]" 1
556 1 62 LEU H 1 62 LEU HG . . 3.580 3.011 2.006 3.724 0.144 8 0 "[ . 1 . 2]" 1
557 1 62 LEU H 1 63 GLU H . . 4.540 4.235 4.045 4.361 . 0 0 "[ . 1 . 2]" 1
558 1 62 LEU H 1 63 GLU QG . . 6.380 4.606 4.165 5.464 . 0 0 "[ . 1 . 2]" 1
559 1 62 LEU HA 1 62 LEU HG . . 4.010 3.845 3.178 4.167 0.157 14 0 "[ . 1 . 2]" 1
560 1 62 LEU HA 1 63 GLU H . . 3.110 2.012 1.905 2.193 . 0 0 "[ . 1 . 2]" 1
561 1 62 LEU HA 1 63 GLU HG2 . . 5.500 4.574 3.743 5.522 0.022 8 0 "[ . 1 . 2]" 1
562 1 62 LEU HA 1 63 GLU HG3 . . 5.500 4.555 3.557 5.517 0.017 18 0 "[ . 1 . 2]" 1
563 1 62 LEU QB 1 63 GLU H . . 3.740 3.047 2.853 3.275 . 0 0 "[ . 1 . 2]" 1
564 1 62 LEU HB2 1 63 GLU H . . 3.920 3.248 2.920 4.045 0.125 4 0 "[ . 1 . 2]" 1
565 1 62 LEU HB3 1 63 GLU H . . 3.920 3.925 3.072 4.068 0.148 13 0 "[ . 1 . 2]" 1
566 1 62 LEU QD 1 63 GLU H . . 6.860 4.104 3.576 4.434 . 0 0 "[ . 1 . 2]" 1
567 1 62 LEU QD 1 63 GLU QG . . 7.610 4.818 4.018 5.257 . 0 0 "[ . 1 . 2]" 1
568 1 62 LEU MD1 1 63 GLU HG2 . . 9.510 6.488 5.036 7.885 . 0 0 "[ . 1 . 2]" 1
569 1 62 LEU MD1 1 63 GLU HG3 . . 9.510 6.770 5.102 8.066 . 0 0 "[ . 1 . 2]" 1
570 1 62 LEU MD2 1 63 GLU HG2 . . 9.510 6.031 4.803 8.201 . 0 0 "[ . 1 . 2]" 1
571 1 62 LEU MD2 1 63 GLU HG3 . . 9.510 6.309 4.996 8.263 . 0 0 "[ . 1 . 2]" 1
572 1 62 LEU HG 1 63 GLU H . . 5.500 4.800 4.213 5.522 0.022 16 0 "[ . 1 . 2]" 1
573 1 63 GLU H 1 63 GLU HB2 . . 4.010 2.897 2.556 3.932 . 0 0 "[ . 1 . 2]" 1
574 1 63 GLU H 1 63 GLU QB . . 3.550 2.715 2.513 3.219 . 0 0 "[ . 1 . 2]" 1
575 1 63 GLU H 1 63 GLU HB3 . . 4.010 3.689 3.306 3.853 . 0 0 "[ . 1 . 2]" 1
576 1 63 GLU H 1 63 GLU HG2 . . 5.130 3.522 2.695 4.132 . 0 0 "[ . 1 . 2]" 1
577 1 63 GLU H 1 63 GLU QG . . 4.970 2.793 2.413 3.054 . 0 0 "[ . 1 . 2]" 1
578 1 63 GLU H 1 63 GLU HG3 . . 5.130 3.405 2.433 4.309 . 0 0 "[ . 1 . 2]" 1
579 1 63 GLU H 1 64 LYS H . . 4.690 4.407 4.320 4.458 . 0 0 "[ . 1 . 2]" 1
580 1 63 GLU HA 1 64 LYS H . . 2.520 2.243 2.128 2.381 . 0 0 "[ . 1 . 2]" 1
581 1 63 GLU QB 1 64 LYS H . . 3.420 2.517 2.389 2.632 . 0 0 "[ . 1 . 2]" 1
582 1 63 GLU HB2 1 64 LYS H . . 3.610 3.444 2.423 3.742 0.132 9 0 "[ . 1 . 2]" 1
583 1 63 GLU HB3 1 64 LYS H . . 3.610 2.799 2.484 3.690 0.080 20 0 "[ . 1 . 2]" 1
584 1 63 GLU HG2 1 64 LYS H . . 4.910 4.589 4.020 4.925 0.015 8 0 "[ . 1 . 2]" 1
585 1 63 GLU HG3 1 64 LYS H . . 4.910 4.854 4.658 4.948 0.038 12 0 "[ . 1 . 2]" 1
586 1 64 LYS H 1 64 LYS HB2 . . 3.800 2.845 2.519 3.761 . 0 0 "[ . 1 . 2]" 1
587 1 64 LYS H 1 64 LYS QB . . 3.520 2.557 2.318 2.937 . 0 0 "[ . 1 . 2]" 1
588 1 64 LYS H 1 64 LYS HB3 . . 3.800 3.305 2.441 3.816 0.016 12 0 "[ . 1 . 2]" 1
589 1 64 LYS H 1 64 LYS QE . . 6.380 4.580 4.012 5.162 . 0 0 "[ . 1 . 2]" 1
590 1 64 LYS H 1 64 LYS HG2 . . 4.510 3.910 2.142 4.381 . 0 0 "[ . 1 . 2]" 1
591 1 64 LYS H 1 64 LYS QG . . 4.360 3.151 2.086 3.991 . 0 0 "[ . 1 . 2]" 1
592 1 64 LYS H 1 64 LYS HG3 . . 4.510 3.469 2.787 4.597 0.087 7 0 "[ . 1 . 2]" 1
593 1 64 LYS HA 1 65 GLN H . . 2.830 2.121 1.935 2.278 . 0 0 "[ . 1 . 2]" 1
594 1 64 LYS HB2 1 65 GLN H . . 3.830 3.799 2.758 3.976 0.146 7 0 "[ . 1 . 2]" 1
595 1 64 LYS HB3 1 65 GLN H . . 3.830 3.294 2.663 3.952 0.122 19 0 "[ . 1 . 2]" 1
596 1 64 LYS HG2 1 65 GLN H . . 5.500 3.928 2.716 5.318 . 0 0 "[ . 1 . 2]" 1
597 1 64 LYS HG3 1 65 GLN H . . 5.500 4.242 2.583 5.082 . 0 0 "[ . 1 . 2]" 1
598 1 65 GLN H 1 65 GLN HB2 . . 3.580 3.178 2.497 3.731 0.151 15 0 "[ . 1 . 2]" 1
599 1 65 GLN H 1 65 GLN HB3 . . 3.580 3.230 2.456 3.758 0.178 6 0 "[ . 1 . 2]" 1
600 1 65 GLN H 1 66 PRO QD . . 6.380 4.258 4.130 4.339 . 0 0 "[ . 1 . 2]" 1
601 1 65 GLN HA 1 66 PRO HD2 . . 3.020 2.910 2.737 3.042 0.022 19 0 "[ . 1 . 2]" 1
602 1 65 GLN HA 1 66 PRO QD . . 2.750 1.896 1.804 2.080 . 0 0 "[ . 1 . 2]" 1
603 1 65 GLN HA 1 66 PRO HD3 . . 3.020 1.923 1.829 2.135 . 0 0 "[ . 1 . 2]" 1
604 1 65 GLN QB 1 66 PRO QD . . 3.510 2.639 2.188 3.331 . 0 0 "[ . 1 . 2]" 1
605 1 65 GLN HB2 1 66 PRO HD2 . . 4.140 3.513 2.257 4.221 0.081 14 0 "[ . 1 . 2]" 1
606 1 65 GLN HB2 1 66 PRO HD3 . . 4.140 3.813 2.970 4.240 0.100 16 0 "[ . 1 . 2]" 1
607 1 65 GLN HB3 1 66 PRO HD2 . . 4.140 3.508 2.327 4.167 0.027 10 0 "[ . 1 . 2]" 1
608 1 65 GLN HB3 1 66 PRO HD3 . . 4.140 3.745 2.979 4.337 0.197 18 0 "[ . 1 . 2]" 1
609 1 65 GLN QG 1 66 PRO HD2 . . 6.380 3.554 1.979 4.513 . 0 0 "[ . 1 . 2]" 1
610 1 65 GLN QG 1 66 PRO QD . . 6.090 3.234 1.932 4.069 . 0 0 "[ . 1 . 2]" 1
611 1 65 GLN QG 1 66 PRO HD3 . . 6.380 3.867 2.696 4.667 . 0 0 "[ . 1 . 2]" 1
612 1 65 GLN QG 1 67 GLY QA . . 5.950 4.672 3.276 6.058 0.108 3 0 "[ . 1 . 2]" 1
613 1 66 PRO HA 1 67 GLY H . . 2.830 2.114 1.963 2.268 . 0 0 "[ . 1 . 2]" 1
614 1 66 PRO HA 1 67 GLY QA . . 5.170 3.860 3.803 3.917 . 0 0 "[ . 1 . 2]" 1
615 1 66 PRO QB 1 67 GLY H . . 3.470 3.238 3.064 3.312 . 0 0 "[ . 1 . 2]" 1
616 1 66 PRO HB2 1 67 GLY H . . 3.640 3.661 3.568 3.760 0.120 16 0 "[ . 1 . 2]" 1
617 1 66 PRO HB3 1 67 GLY H . . 3.640 3.618 3.278 3.747 0.107 10 0 "[ . 1 . 2]" 1
618 1 67 GLY H 1 69 PHE QE . . 7.620 4.376 3.283 5.385 . 0 0 "[ . 1 . 2]" 1
619 1 67 GLY QA 1 68 ILE H . . 3.100 2.157 2.059 2.329 . 0 0 "[ . 1 . 2]" 1
620 1 67 GLY QA 1 68 ILE MD . . 7.380 4.833 2.603 5.923 . 0 0 "[ . 1 . 2]" 1
621 1 67 GLY QA 1 69 PHE QD . . 8.500 4.142 3.169 5.157 . 0 0 "[ . 1 . 2]" 1
622 1 67 GLY QA 1 69 PHE QE . . 7.210 3.312 2.215 4.616 . 0 0 "[ . 1 . 2]" 1
623 1 67 GLY HA2 1 69 PHE QE . . 7.620 4.725 3.026 5.960 . 0 0 "[ . 1 . 2]" 1
624 1 67 GLY HA3 1 69 PHE QE . . 7.620 3.389 2.278 4.806 . 0 0 "[ . 1 . 2]" 1
625 1 68 ILE H 1 68 ILE HB . . 3.580 2.899 2.482 3.621 0.041 3 0 "[ . 1 . 2]" 1
626 1 68 ILE H 1 68 ILE MD . . 5.100 3.825 2.208 4.725 . 0 0 "[ . 1 . 2]" 1
627 1 68 ILE H 1 68 ILE HG12 . . 5.500 3.551 1.768 4.472 . 0 0 "[ . 1 . 2]" 1
628 1 68 ILE H 1 68 ILE HG13 . . 5.500 3.442 2.354 4.723 . 0 0 "[ . 1 . 2]" 1
629 1 68 ILE H 1 69 PHE QE . . 7.620 5.102 4.360 6.093 . 0 0 "[ . 1 . 2]" 1
630 1 68 ILE HA 1 68 ILE MD . . 4.540 3.740 2.106 4.216 . 0 0 "[ . 1 . 2]" 1
631 1 68 ILE HA 1 69 PHE H . . 3.240 2.097 1.989 2.291 . 0 0 "[ . 1 . 2]" 1
632 1 68 ILE HB 1 69 PHE H . . 4.350 3.966 2.802 4.251 . 0 0 "[ . 1 . 2]" 1
633 1 68 ILE MD 1 69 PHE H . . 5.190 4.815 3.771 5.240 0.050 19 0 "[ . 1 . 2]" 1
634 1 68 ILE MD 1 104 LEU HA . . 4.390 3.256 1.954 4.477 0.087 10 0 "[ . 1 . 2]" 1
635 1 68 ILE MD 1 104 LEU QB . . 5.880 3.992 2.267 5.634 . 0 0 "[ . 1 . 2]" 1
636 1 68 ILE MD 1 107 VAL H . . 6.530 4.648 3.916 5.580 . 0 0 "[ . 1 . 2]" 1
637 1 68 ILE MD 1 107 VAL HB . . 5.320 3.188 2.387 4.927 . 0 0 "[ . 1 . 2]" 1
638 1 68 ILE MD 1 107 VAL QG . . 6.760 2.014 1.759 2.906 . 0 0 "[ . 1 . 2]" 1
639 1 68 ILE QG 1 107 VAL QG . . 6.000 3.310 1.869 3.835 . 0 0 "[ . 1 . 2]" 1
640 1 68 ILE HG12 1 107 VAL MG1 . . 7.850 4.396 2.593 5.425 . 0 0 "[ . 1 . 2]" 1
641 1 68 ILE HG12 1 107 VAL MG2 . . 7.850 4.116 2.085 4.829 . 0 0 "[ . 1 . 2]" 1
642 1 68 ILE HG13 1 107 VAL MG1 . . 7.850 4.594 2.690 5.762 . 0 0 "[ . 1 . 2]" 1
643 1 68 ILE HG13 1 107 VAL MG2 . . 7.850 4.326 1.938 5.476 . 0 0 "[ . 1 . 2]" 1
644 1 68 ILE MG 1 69 PHE H . . 4.670 3.393 2.708 4.212 . 0 0 "[ . 1 . 2]" 1
645 1 69 PHE H 1 69 PHE HB2 . . 3.730 2.748 2.547 3.786 0.056 10 0 "[ . 1 . 2]" 1
646 1 69 PHE H 1 69 PHE HB3 . . 3.730 3.704 3.373 3.777 0.047 2 0 "[ . 1 . 2]" 1
647 1 69 PHE HA 1 70 ILE H . . 3.110 2.438 2.220 2.678 . 0 0 "[ . 1 . 2]" 1
648 1 69 PHE HA 1 70 ILE QG . . 6.380 3.719 3.581 3.933 . 0 0 "[ . 1 . 2]" 1
649 1 69 PHE HA 1 90 GLU HA . . 3.490 2.263 1.857 3.296 . 0 0 "[ . 1 . 2]" 1
650 1 69 PHE HA 1 91 VAL H . . 4.070 3.027 2.016 3.762 . 0 0 "[ . 1 . 2]" 1
651 1 69 PHE HA 1 122 VAL QG . . 7.100 5.119 3.772 5.830 . 0 0 "[ . 1 . 2]" 1
652 1 69 PHE QB 1 88 ASN HA . . 5.170 3.959 3.341 4.413 . 0 0 "[ . 1 . 2]" 1
653 1 69 PHE HB2 1 88 ASN HA . . 5.500 5.165 4.134 5.565 0.065 8 0 "[ . 1 . 2]" 1
654 1 69 PHE HB3 1 88 ASN HA . . 5.500 4.212 3.403 5.522 0.022 19 0 "[ . 1 . 2]" 1
655 1 69 PHE QD 1 70 ILE H . . 7.620 3.741 3.222 4.006 . 0 0 "[ . 1 . 2]" 1
656 1 69 PHE QD 1 90 GLU HB2 . . 6.600 3.906 2.320 4.925 . 0 0 "[ . 1 . 2]" 1
657 1 69 PHE QD 1 90 GLU QB . . 6.450 3.091 1.924 4.237 . 0 0 "[ . 1 . 2]" 1
658 1 69 PHE QD 1 90 GLU HB3 . . 6.600 3.552 1.936 4.621 . 0 0 "[ . 1 . 2]" 1
659 1 69 PHE QE 1 90 GLU HA . . 7.620 4.530 3.687 6.854 . 0 0 "[ . 1 . 2]" 1
660 1 69 PHE QE 1 90 GLU HB2 . . 6.540 4.296 2.414 6.578 0.038 19 0 "[ . 1 . 2]" 1
661 1 69 PHE QE 1 90 GLU QB . . 6.370 3.404 2.290 5.628 . 0 0 "[ . 1 . 2]" 1
662 1 69 PHE QE 1 90 GLU HB3 . . 6.540 3.875 2.312 6.114 . 0 0 "[ . 1 . 2]" 1
663 1 70 ILE H 1 70 ILE HB . . 3.490 2.508 2.386 2.589 . 0 0 "[ . 1 . 2]" 1
664 1 70 ILE H 1 70 ILE HG12 . . 5.130 3.388 3.230 3.635 . 0 0 "[ . 1 . 2]" 1
665 1 70 ILE H 1 70 ILE QG . . 4.940 2.152 2.028 2.415 . 0 0 "[ . 1 . 2]" 1
666 1 70 ILE H 1 70 ILE HG13 . . 5.130 2.177 2.050 2.451 . 0 0 "[ . 1 . 2]" 1
667 1 70 ILE H 1 89 ASP H . . 4.760 4.495 4.239 4.735 . 0 0 "[ . 1 . 2]" 1
668 1 70 ILE H 1 122 VAL QG . . 8.090 4.812 3.751 5.535 . 0 0 "[ . 1 . 2]" 1
669 1 70 ILE HA 1 71 SER H . . 3.610 2.172 2.073 2.266 . 0 0 "[ . 1 . 2]" 1
670 1 70 ILE HA 1 71 SER QB . . 4.770 4.196 3.905 4.422 . 0 0 "[ . 1 . 2]" 1
671 1 70 ILE HB 1 87 VAL HA . . 4.940 2.279 1.835 3.381 . 0 0 "[ . 1 . 2]" 1
672 1 70 ILE HB 1 88 ASN H . . 5.500 4.632 4.423 4.855 . 0 0 "[ . 1 . 2]" 1
673 1 70 ILE HB 1 88 ASN HA . . 5.470 4.878 3.927 5.481 0.011 12 0 "[ . 1 . 2]" 1
674 1 70 ILE HB 1 89 ASP H . . 4.480 3.911 3.317 4.482 0.002 13 0 "[ . 1 . 2]" 1
675 1 70 ILE HB 1 89 ASP QB . . 6.380 4.416 3.326 6.110 . 0 0 "[ . 1 . 2]" 1
676 1 70 ILE MD 1 86 ALA H . . 5.190 3.988 3.247 5.229 0.039 18 0 "[ . 1 . 2]" 1
677 1 70 ILE MD 1 86 ALA MB . . 7.560 4.559 4.348 5.091 . 0 0 "[ . 1 . 2]" 1
678 1 70 ILE MD 1 87 VAL HB . . 6.160 5.288 4.620 6.035 . 0 0 "[ . 1 . 2]" 1
679 1 70 ILE MD 1 89 ASP H . . 6.220 3.384 3.016 3.753 . 0 0 "[ . 1 . 2]" 1
680 1 70 ILE MD 1 89 ASP HB2 . . 5.500 2.681 1.874 4.475 . 0 0 "[ . 1 . 2]" 1
681 1 70 ILE MD 1 89 ASP QB . . 5.250 2.609 1.860 4.046 . 0 0 "[ . 1 . 2]" 1
682 1 70 ILE MD 1 89 ASP HB3 . . 5.500 3.842 3.126 5.034 . 0 0 "[ . 1 . 2]" 1
683 1 70 ILE QG 1 89 ASP QB . . 5.860 3.521 2.757 4.628 . 0 0 "[ . 1 . 2]" 1
684 1 70 ILE QG 1 122 VAL HB . . 6.010 4.079 3.544 5.128 . 0 0 "[ . 1 . 2]" 1
685 1 70 ILE QG 1 122 VAL QG . . 6.160 2.843 2.159 3.606 . 0 0 "[ . 1 . 2]" 1
686 1 70 ILE HG12 1 89 ASP HB2 . . 7.250 5.057 4.205 6.646 . 0 0 "[ . 1 . 2]" 1
687 1 70 ILE HG12 1 89 ASP HB3 . . 7.250 6.124 5.189 7.301 0.051 19 0 "[ . 1 . 2]" 1
688 1 70 ILE HG12 1 122 VAL MG1 . . 8.190 3.179 2.383 4.145 . 0 0 "[ . 1 . 2]" 1
689 1 70 ILE HG12 1 122 VAL MG2 . . 8.190 4.830 3.605 6.214 . 0 0 "[ . 1 . 2]" 1
690 1 70 ILE HG13 1 89 ASP HB2 . . 7.250 3.766 2.900 5.193 . 0 0 "[ . 1 . 2]" 1
691 1 70 ILE HG13 1 89 ASP HB3 . . 7.250 4.729 3.741 5.881 . 0 0 "[ . 1 . 2]" 1
692 1 70 ILE HG13 1 122 VAL MG1 . . 8.190 3.422 2.348 4.072 . 0 0 "[ . 1 . 2]" 1
693 1 70 ILE HG13 1 122 VAL MG2 . . 8.190 4.915 2.922 6.037 . 0 0 "[ . 1 . 2]" 1
694 1 70 ILE MG 1 71 SER H . . 5.880 2.653 2.441 2.950 . 0 0 "[ . 1 . 2]" 1
695 1 70 ILE MG 1 72 ARG H . . 5.350 2.993 2.550 3.625 . 0 0 "[ . 1 . 2]" 1
696 1 70 ILE MG 1 87 VAL HA . . 4.640 2.443 2.093 3.022 . 0 0 "[ . 1 . 2]" 1
697 1 70 ILE MG 1 87 VAL HB . . 4.950 4.359 3.557 4.977 0.027 13 0 "[ . 1 . 2]" 1
698 1 70 ILE MG 1 88 ASN H . . 6.470 5.224 4.913 5.641 . 0 0 "[ . 1 . 2]" 1
699 1 70 ILE MG 1 89 ASP H . . 5.780 4.981 4.396 5.477 . 0 0 "[ . 1 . 2]" 1
700 1 71 SER H 1 72 ARG H . . 3.640 2.282 1.964 2.578 . 0 0 "[ . 1 . 2]" 1
701 1 72 ARG H 1 72 ARG HB2 . . 4.200 3.113 2.628 3.973 . 0 0 "[ . 1 . 2]" 1
702 1 72 ARG H 1 72 ARG HB3 . . 4.200 3.398 2.726 3.894 . 0 0 "[ . 1 . 2]" 1
703 1 72 ARG H 1 73 LEU H . . 4.760 4.299 4.127 4.454 . 0 0 "[ . 1 . 2]" 1
704 1 72 ARG H 1 87 VAL QG . . 8.090 3.984 3.241 4.920 . 0 0 "[ . 1 . 2]" 1
705 1 72 ARG HA 1 72 ARG HD2 . . 5.500 4.559 2.812 5.516 0.016 19 0 "[ . 1 . 2]" 1
706 1 72 ARG HA 1 72 ARG HD3 . . 5.500 4.520 3.993 4.899 . 0 0 "[ . 1 . 2]" 1
707 1 72 ARG HA 1 73 LEU H . . 2.870 2.223 2.107 2.392 . 0 0 "[ . 1 . 2]" 1
708 1 72 ARG HA 1 87 VAL QG . . 5.580 3.338 2.545 4.544 . 0 0 "[ . 1 . 2]" 1
709 1 72 ARG QB 1 73 LEU H . . 3.540 2.968 2.447 3.505 . 0 0 "[ . 1 . 2]" 1
710 1 72 ARG HB2 1 73 LEU H . . 3.860 3.727 2.546 3.947 0.087 1 0 "[ . 1 . 2]" 1
711 1 72 ARG HB3 1 73 LEU H . . 3.860 3.291 2.480 3.935 0.075 7 0 "[ . 1 . 2]" 1
712 1 72 ARG QD 1 74 VAL QG . . 7.600 4.576 3.223 6.272 . 0 0 "[ . 1 . 2]" 1
713 1 72 ARG HD2 1 74 VAL MG1 . . 9.650 7.536 6.102 9.615 . 0 0 "[ . 1 . 2]" 1
714 1 72 ARG HD2 1 74 VAL MG2 . . 9.650 5.587 4.261 7.400 . 0 0 "[ . 1 . 2]" 1
715 1 72 ARG HD3 1 74 VAL MG1 . . 9.650 7.143 5.632 9.432 . 0 0 "[ . 1 . 2]" 1
716 1 72 ARG HD3 1 74 VAL MG2 . . 9.650 5.187 3.372 7.124 . 0 0 "[ . 1 . 2]" 1
717 1 73 LEU H 1 73 LEU HB2 . . 3.830 2.693 2.404 3.064 . 0 0 "[ . 1 . 2]" 1
718 1 73 LEU H 1 73 LEU QB . . 3.620 2.451 2.295 2.621 . 0 0 "[ . 1 . 2]" 1
719 1 73 LEU H 1 73 LEU HB3 . . 3.830 3.145 2.450 3.717 . 0 0 "[ . 1 . 2]" 1
720 1 73 LEU H 1 73 LEU MD1 . . 5.850 4.301 4.182 4.481 . 0 0 "[ . 1 . 2]" 1
721 1 73 LEU H 1 73 LEU MD2 . . 5.850 4.272 4.126 4.480 . 0 0 "[ . 1 . 2]" 1
722 1 73 LEU H 1 73 LEU HG . . 4.140 4.012 3.553 4.337 0.197 5 0 "[ . 1 . 2]" 1
723 1 73 LEU H 1 74 VAL H . . 4.790 4.276 4.138 4.358 . 0 0 "[ . 1 . 2]" 1
724 1 73 LEU H 1 87 VAL QG . . 6.170 3.877 2.661 5.408 . 0 0 "[ . 1 . 2]" 1
725 1 73 LEU HA 1 73 LEU HG . . 4.110 2.820 2.398 3.194 . 0 0 "[ . 1 . 2]" 1
726 1 73 LEU HA 1 74 VAL H . . 3.330 2.130 2.020 2.242 . 0 0 "[ . 1 . 2]" 1
727 1 73 LEU QB 1 74 VAL H . . 4.120 3.275 2.873 3.760 . 0 0 "[ . 1 . 2]" 1
728 1 73 LEU QB 1 80 GLU QB . . 5.820 3.418 2.382 4.159 . 0 0 "[ . 1 . 2]" 1
729 1 73 LEU QB 1 80 GLU QG . . 6.170 4.250 3.015 5.149 . 0 0 "[ . 1 . 2]" 1
730 1 73 LEU HB2 1 74 VAL H . . 4.350 4.197 4.087 4.384 0.034 5 0 "[ . 1 . 2]" 1
731 1 73 LEU HB2 1 80 GLU HB2 . . 7.220 4.674 3.806 5.645 . 0 0 "[ . 1 . 2]" 1
732 1 73 LEU HB2 1 80 GLU HB3 . . 7.220 6.179 4.051 7.120 . 0 0 "[ . 1 . 2]" 1
733 1 73 LEU HB2 1 80 GLU QG . . 6.380 5.396 4.077 6.400 0.020 5 0 "[ . 1 . 2]" 1
734 1 73 LEU HB3 1 74 VAL H . . 4.350 3.470 2.934 4.187 . 0 0 "[ . 1 . 2]" 1
735 1 73 LEU HB3 1 80 GLU HB2 . . 7.220 3.731 2.431 4.941 . 0 0 "[ . 1 . 2]" 1
736 1 73 LEU HB3 1 80 GLU HB3 . . 7.220 5.177 3.439 6.231 . 0 0 "[ . 1 . 2]" 1
737 1 73 LEU HB3 1 80 GLU QG . . 6.380 4.461 3.106 5.427 . 0 0 "[ . 1 . 2]" 1
738 1 73 LEU QD 1 74 VAL H . . 5.820 2.309 1.795 2.870 . 0 0 "[ . 1 . 2]" 1
739 1 73 LEU QD 1 75 PRO HA . . 4.410 4.265 3.310 4.449 0.039 17 0 "[ . 1 . 2]" 1
740 1 73 LEU QD 1 79 ALA H . . 5.090 3.011 2.826 3.546 . 0 0 "[ . 1 . 2]" 1
741 1 73 LEU QD 1 79 ALA MB . . 7.200 1.786 1.622 2.079 . 0 0 "[ . 1 . 2]" 1
742 1 73 LEU QD 1 80 GLU H . . 6.100 2.206 1.847 2.658 . 0 0 "[ . 1 . 2]" 1
743 1 73 LEU QD 1 80 GLU HA . . 6.240 2.287 1.923 3.345 . 0 0 "[ . 1 . 2]" 1
744 1 73 LEU QD 1 80 GLU QB . . 8.920 1.880 1.711 2.021 . 0 0 "[ . 1 . 2]" 1
745 1 73 LEU QD 1 80 GLU QG . . 6.890 2.888 2.536 3.391 . 0 0 "[ . 1 . 2]" 1
746 1 73 LEU MD1 1 74 VAL H . . 6.530 3.778 1.938 4.671 . 0 0 "[ . 1 . 2]" 1
747 1 73 LEU MD1 1 75 PRO HA . . 4.950 4.990 4.956 5.038 0.088 8 0 "[ . 1 . 2]" 1
748 1 73 LEU MD1 1 79 ALA H . . 5.660 4.122 2.962 5.131 . 0 0 "[ . 1 . 2]" 1
749 1 73 LEU MD1 1 79 ALA HA . . 4.790 4.361 3.869 4.837 0.047 15 0 "[ . 1 . 2]" 1
750 1 73 LEU MD1 1 80 GLU H . . 6.530 2.870 2.039 3.549 . 0 0 "[ . 1 . 2]" 1
751 1 73 LEU MD1 1 80 GLU QG . . 7.400 3.298 2.598 4.170 . 0 0 "[ . 1 . 2]" 1
752 1 73 LEU MD2 1 74 VAL H . . 6.530 3.009 1.796 4.552 . 0 0 "[ . 1 . 2]" 1
753 1 73 LEU MD2 1 75 PRO HA . . 4.950 4.690 3.362 4.994 0.044 14 0 "[ . 1 . 2]" 1
754 1 73 LEU MD2 1 79 ALA H . . 5.660 3.599 2.876 4.947 . 0 0 "[ . 1 . 2]" 1
755 1 73 LEU MD2 1 79 ALA HA . . 4.790 4.298 3.748 4.841 0.051 16 0 "[ . 1 . 2]" 1
756 1 73 LEU MD2 1 80 GLU H . . 6.530 2.667 1.860 3.431 . 0 0 "[ . 1 . 2]" 1
757 1 73 LEU MD2 1 80 GLU QG . . 7.400 3.539 2.625 4.831 . 0 0 "[ . 1 . 2]" 1
758 1 73 LEU HG 1 74 VAL H . . 5.500 3.919 2.859 4.626 . 0 0 "[ . 1 . 2]" 1
759 1 73 LEU HG 1 79 ALA H . . 5.500 5.477 4.532 5.632 0.132 12 0 "[ . 1 . 2]" 1
760 1 73 LEU HG 1 87 VAL QG . . 6.100 3.932 2.431 5.418 . 0 0 "[ . 1 . 2]" 1
761 1 74 VAL H 1 74 VAL HB . . 3.390 2.528 2.434 2.785 . 0 0 "[ . 1 . 2]" 1
762 1 74 VAL H 1 75 PRO QD . . 6.380 4.271 4.187 4.368 . 0 0 "[ . 1 . 2]" 1
763 1 74 VAL HA 1 75 PRO HD2 . . 3.180 2.387 1.973 2.673 . 0 0 "[ . 1 . 2]" 1
764 1 74 VAL HA 1 75 PRO HD3 . . 3.180 2.236 2.003 2.671 . 0 0 "[ . 1 . 2]" 1
765 1 74 VAL HB 1 77 GLY QA . . 4.890 3.358 2.227 4.447 . 0 0 "[ . 1 . 2]" 1
766 1 74 VAL QG 1 75 PRO QD . . 6.100 2.275 2.105 2.459 . 0 0 "[ . 1 . 2]" 1
767 1 74 VAL QG 1 77 GLY H . . 8.090 3.704 2.543 4.735 . 0 0 "[ . 1 . 2]" 1
768 1 74 VAL QG 1 77 GLY QA . . 8.970 3.521 1.941 4.453 . 0 0 "[ . 1 . 2]" 1
769 1 74 VAL MG1 1 75 PRO HD2 . . 8.070 2.529 2.195 4.037 . 0 0 "[ . 1 . 2]" 1
770 1 74 VAL MG1 1 75 PRO HD3 . . 8.070 3.563 3.190 4.782 . 0 0 "[ . 1 . 2]" 1
771 1 74 VAL MG2 1 75 PRO HD2 . . 8.070 3.760 2.145 4.268 . 0 0 "[ . 1 . 2]" 1
772 1 74 VAL MG2 1 75 PRO HD3 . . 8.070 4.178 3.123 4.672 . 0 0 "[ . 1 . 2]" 1
773 1 75 PRO HA 1 76 GLY QA . . 4.710 3.938 3.917 3.961 . 0 0 "[ . 1 . 2]" 1
774 1 75 PRO HA 1 77 GLY H . . 4.510 3.235 3.041 3.492 . 0 0 "[ . 1 . 2]" 1
775 1 75 PRO QB 1 76 GLY H . . 3.760 3.316 3.156 3.377 . 0 0 "[ . 1 . 2]" 1
776 1 75 PRO HB2 1 76 GLY H . . 4.010 3.786 3.517 3.954 . 0 0 "[ . 1 . 2]" 1
777 1 75 PRO HB3 1 76 GLY H . . 4.010 3.705 3.370 3.949 . 0 0 "[ . 1 . 2]" 1
778 1 76 GLY H 1 77 GLY H . . 3.890 2.351 2.106 2.559 . 0 0 "[ . 1 . 2]" 1
779 1 77 GLY H 1 78 LEU H . . 4.820 4.560 4.479 4.614 . 0 0 "[ . 1 . 2]" 1
780 1 77 GLY H 1 80 GLU HB2 . . 4.760 3.761 3.269 4.766 0.006 13 0 "[ . 1 . 2]" 1
781 1 77 GLY H 1 80 GLU QB . . 4.400 2.836 2.320 4.177 . 0 0 "[ . 1 . 2]" 1
782 1 77 GLY H 1 80 GLU HB3 . . 4.760 2.948 2.370 4.618 . 0 0 "[ . 1 . 2]" 1
783 1 77 GLY HA2 1 78 LEU H . . 3.640 2.306 2.155 2.412 . 0 0 "[ . 1 . 2]" 1
784 1 77 GLY HA3 1 78 LEU H . . 3.640 2.828 2.719 2.951 . 0 0 "[ . 1 . 2]" 1
785 1 78 LEU H 1 78 LEU HB2 . . 3.490 2.426 2.320 2.522 . 0 0 "[ . 1 . 2]" 1
786 1 78 LEU H 1 78 LEU HB3 . . 3.490 3.346 2.438 3.567 0.077 8 0 "[ . 1 . 2]" 1
787 1 78 LEU H 1 79 ALA H . . 3.920 2.805 2.594 2.958 . 0 0 "[ . 1 . 2]" 1
788 1 78 LEU HA 1 81 SER H . . 3.420 3.251 2.744 3.459 0.039 19 0 "[ . 1 . 2]" 1
789 1 78 LEU HB2 1 79 ALA H . . 3.830 3.111 2.547 3.945 0.115 1 0 "[ . 1 . 2]" 1
790 1 78 LEU HB3 1 79 ALA H . . 3.830 3.566 2.553 3.897 0.067 13 0 "[ . 1 . 2]" 1
791 1 79 ALA H 1 80 GLU H . . 4.630 2.491 2.353 2.785 . 0 0 "[ . 1 . 2]" 1
792 1 79 ALA HA 1 82 THR H . . 4.660 3.646 3.139 4.226 . 0 0 "[ . 1 . 2]" 1
793 1 79 ALA HA 1 82 THR MG . . 4.480 3.731 2.515 4.559 0.079 1 0 "[ . 1 . 2]" 1
794 1 79 ALA HA 1 85 LEU QD . . 7.350 4.006 2.126 5.886 . 0 0 "[ . 1 . 2]" 1
795 1 79 ALA MB 1 85 LEU MD1 . . 6.130 4.510 2.696 6.182 0.052 18 0 "[ . 1 . 2]" 1
796 1 79 ALA MB 1 85 LEU MD2 . . 6.130 5.200 3.259 6.213 0.083 2 0 "[ . 1 . 2]" 1
797 1 80 GLU H 1 80 GLU HB2 . . 3.730 2.629 2.424 3.661 . 0 0 "[ . 1 . 2]" 1
798 1 80 GLU H 1 80 GLU HB3 . . 3.730 2.466 2.341 2.943 . 0 0 "[ . 1 . 2]" 1
799 1 80 GLU H 1 81 SER H . . 4.110 2.412 2.320 2.611 . 0 0 "[ . 1 . 2]" 1
800 1 80 GLU QG 1 81 SER H . . 6.380 3.879 2.809 4.483 . 0 0 "[ . 1 . 2]" 1
801 1 80 GLU QG 1 81 SER HA . . 6.220 4.241 3.439 5.219 . 0 0 "[ . 1 . 2]" 1
802 1 80 GLU QG 1 82 THR H . . 6.380 5.370 5.003 5.890 . 0 0 "[ . 1 . 2]" 1
803 1 81 SER H 1 82 THR H . . 3.950 2.775 2.641 2.934 . 0 0 "[ . 1 . 2]" 1
804 1 81 SER QB 1 82 THR HA . . 4.360 4.024 3.832 4.249 . 0 0 "[ . 1 . 2]" 1
805 1 82 THR H 1 82 THR HB . . 4.110 3.116 2.565 3.677 . 0 0 "[ . 1 . 2]" 1
806 1 82 THR H 1 82 THR MG . . 4.330 2.917 1.933 3.758 . 0 0 "[ . 1 . 2]" 1
807 1 82 THR HA 1 82 THR MG . . 3.550 2.398 2.213 3.231 . 0 0 "[ . 1 . 2]" 1
808 1 82 THR HB 1 84 LEU H . . 3.890 3.126 2.467 4.104 0.214 9 0 "[ . 1 . 2]" 1
809 1 82 THR HB 1 84 LEU QD . . 6.670 3.789 2.040 4.307 . 0 0 "[ . 1 . 2]" 1
810 1 82 THR HB 1 84 LEU HG . . 3.890 3.813 1.958 4.062 0.172 12 0 "[ . 1 . 2]" 1
811 1 82 THR MG 1 83 GLY H . . 6.530 3.657 2.075 4.376 . 0 0 "[ . 1 . 2]" 1
812 1 82 THR MG 1 84 LEU H . . 5.850 3.282 2.245 4.799 . 0 0 "[ . 1 . 2]" 1
813 1 82 THR MG 1 84 LEU QB . . 4.900 3.609 2.329 5.018 0.118 5 0 "[ . 1 . 2]" 1
814 1 82 THR MG 1 85 LEU QB . . 5.210 3.578 2.244 5.320 0.110 18 0 "[ . 1 . 2]" 1
815 1 82 THR MG 1 85 LEU QD . . 9.130 2.712 1.921 4.022 . 0 0 "[ . 1 . 2]" 1
816 1 83 GLY H 1 84 LEU H . . 4.200 2.988 2.355 3.539 . 0 0 "[ . 1 . 2]" 1
817 1 84 LEU H 1 84 LEU HB2 . . 3.580 2.969 2.438 3.685 0.105 9 0 "[ . 1 . 2]" 1
818 1 84 LEU H 1 84 LEU QB . . 3.400 2.575 2.362 3.099 . 0 0 "[ . 1 . 2]" 1
819 1 84 LEU H 1 84 LEU HB3 . . 3.580 3.225 2.470 3.656 0.076 19 0 "[ . 1 . 2]" 1
820 1 84 LEU H 1 84 LEU HG . . 4.630 2.495 1.928 4.328 . 0 0 "[ . 1 . 2]" 1
821 1 84 LEU H 1 85 LEU H . . 3.390 2.311 1.703 2.803 . 0 0 "[ . 1 . 2]" 1
822 1 84 LEU HA 1 84 LEU HG . . 4.200 3.427 3.166 3.815 . 0 0 "[ . 1 . 2]" 1
823 1 85 LEU H 1 85 LEU HB2 . . 4.070 2.552 2.437 2.846 . 0 0 "[ . 1 . 2]" 1
824 1 85 LEU H 1 85 LEU QB . . 3.840 2.490 2.401 2.615 . 0 0 "[ . 1 . 2]" 1
825 1 85 LEU H 1 85 LEU HB3 . . 4.070 3.634 2.587 3.775 . 0 0 "[ . 1 . 2]" 1
826 1 85 LEU HA 1 86 ALA H . . 3.550 2.172 2.017 2.351 . 0 0 "[ . 1 . 2]" 1
827 1 85 LEU QB 1 86 ALA H . . 4.060 2.843 2.541 3.557 . 0 0 "[ . 1 . 2]" 1
828 1 85 LEU HB2 1 86 ALA H . . 4.230 3.941 3.771 4.284 0.054 11 0 "[ . 1 . 2]" 1
829 1 85 LEU HB3 1 86 ALA H . . 4.230 2.927 2.583 3.841 . 0 0 "[ . 1 . 2]" 1
830 1 85 LEU QD 1 86 ALA H . . 6.890 3.441 2.662 4.475 . 0 0 "[ . 1 . 2]" 1
831 1 86 ALA H 1 87 VAL H . . 4.730 4.418 4.058 4.527 . 0 0 "[ . 1 . 2]" 1
832 1 86 ALA H 1 89 ASP HB2 . . 5.190 3.532 2.841 5.208 0.018 11 0 "[ . 1 . 2]" 1
833 1 86 ALA H 1 89 ASP QB . . 5.010 3.277 2.778 3.970 . 0 0 "[ . 1 . 2]" 1
834 1 86 ALA H 1 89 ASP HB3 . . 5.190 4.192 3.587 4.969 . 0 0 "[ . 1 . 2]" 1
835 1 86 ALA HA 1 87 VAL H . . 3.020 2.344 2.083 2.409 . 0 0 "[ . 1 . 2]" 1
836 1 86 ALA MB 1 87 VAL H . . 3.770 2.464 2.340 3.249 . 0 0 "[ . 1 . 2]" 1
837 1 86 ALA MB 1 87 VAL HA . . 6.190 4.391 4.297 4.650 . 0 0 "[ . 1 . 2]" 1
838 1 86 ALA MB 1 87 VAL HB . . 5.350 4.109 3.384 4.482 . 0 0 "[ . 1 . 2]" 1
839 1 86 ALA MB 1 89 ASP QB . . 7.410 4.240 3.507 5.235 . 0 0 "[ . 1 . 2]" 1
840 1 87 VAL H 1 87 VAL HB . . 2.900 2.572 2.324 3.170 0.270 11 0 "[ . 1 . 2]" 1
841 1 87 VAL H 1 87 VAL QG . . 4.090 2.073 1.861 2.491 . 0 0 "[ . 1 . 2]" 1
842 1 87 VAL H 1 88 ASN H . . 4.910 2.781 2.279 3.992 . 0 0 "[ . 1 . 2]" 1
843 1 87 VAL HA 1 89 ASP H . . 4.140 3.828 3.600 4.182 0.042 2 0 "[ . 1 . 2]" 1
844 1 87 VAL HB 1 88 ASN H . . 3.890 3.227 2.387 3.994 0.104 5 0 "[ . 1 . 2]" 1
845 1 87 VAL QG 1 88 ASN H . . 6.570 3.130 2.270 3.563 . 0 0 "[ . 1 . 2]" 1
846 1 88 ASN H 1 89 ASP H . . 3.800 2.574 2.461 2.810 . 0 0 "[ . 1 . 2]" 1
847 1 88 ASN HA 1 88 ASN HD22 . . 5.500 4.746 4.396 5.376 . 0 0 "[ . 1 . 2]" 1
848 1 88 ASN QB 1 89 ASP H . . 4.390 3.238 2.837 3.833 . 0 0 "[ . 1 . 2]" 1
849 1 88 ASN QB 1 125 ALA MB . . 4.330 2.939 2.418 3.558 . 0 0 "[ . 1 . 2]" 1
850 1 88 ASN HB2 1 89 ASP H . . 4.790 3.698 3.038 4.342 . 0 0 "[ . 1 . 2]" 1
851 1 88 ASN HB2 1 125 ALA MB . . 4.480 3.534 2.729 4.601 0.121 14 0 "[ . 1 . 2]" 1
852 1 88 ASN HB3 1 89 ASP H . . 4.790 3.842 2.898 4.422 . 0 0 "[ . 1 . 2]" 1
853 1 88 ASN HB3 1 125 ALA MB . . 4.480 3.433 2.545 4.577 0.097 16 0 "[ . 1 . 2]" 1
854 1 88 ASN HD21 1 125 ALA MB . . 5.910 3.913 1.689 5.032 . 0 0 "[ . 1 . 2]" 1
855 1 88 ASN HD22 1 125 ALA MB . . 5.910 4.406 2.453 6.015 0.105 11 0 "[ . 1 . 2]" 1
856 1 89 ASP H 1 89 ASP HB2 . . 3.640 2.656 2.428 3.670 0.030 19 0 "[ . 1 . 2]" 1
857 1 89 ASP H 1 89 ASP HB3 . . 3.640 3.508 2.570 3.627 . 0 0 "[ . 1 . 2]" 1
858 1 89 ASP H 1 122 VAL QG . . 8.090 5.551 4.182 6.233 . 0 0 "[ . 1 . 2]" 1
859 1 89 ASP HA 1 90 GLU H . . 3.240 2.421 2.227 2.650 . 0 0 "[ . 1 . 2]" 1
860 1 89 ASP HA 1 125 ALA H . . 3.730 2.488 2.105 3.343 . 0 0 "[ . 1 . 2]" 1
861 1 89 ASP HA 1 125 ALA MB . . 4.610 2.121 1.878 2.500 . 0 0 "[ . 1 . 2]" 1
862 1 89 ASP QB 1 90 GLU H . . 3.950 2.290 1.862 2.799 . 0 0 "[ . 1 . 2]" 1
863 1 89 ASP QB 1 90 GLU HA . . 4.640 4.298 3.945 4.500 . 0 0 "[ . 1 . 2]" 1
864 1 89 ASP QB 1 122 VAL HB . . 4.860 3.286 2.676 4.415 . 0 0 "[ . 1 . 2]" 1
865 1 89 ASP QB 1 122 VAL QG . . 7.130 3.509 2.108 4.040 . 0 0 "[ . 1 . 2]" 1
866 1 89 ASP QB 1 125 ALA H . . 6.380 2.999 1.637 3.423 . 0 0 "[ . 1 . 2]" 1
867 1 89 ASP HB2 1 90 GLU H . . 4.110 3.366 1.875 3.972 . 0 0 "[ . 1 . 2]" 1
868 1 89 ASP HB2 1 122 VAL HB . . 5.000 3.806 3.203 4.964 . 0 0 "[ . 1 . 2]" 1
869 1 89 ASP HB2 1 122 VAL MG1 . . 9.000 4.445 3.966 5.041 . 0 0 "[ . 1 . 2]" 1
870 1 89 ASP HB2 1 122 VAL MG2 . . 9.000 4.423 2.403 5.278 . 0 0 "[ . 1 . 2]" 1
871 1 89 ASP HB3 1 90 GLU H . . 4.110 2.499 1.965 3.525 . 0 0 "[ . 1 . 2]" 1
872 1 89 ASP HB3 1 122 VAL HB . . 5.000 3.754 2.868 5.045 0.045 19 0 "[ . 1 . 2]" 1
873 1 89 ASP HB3 1 122 VAL MG1 . . 9.000 4.746 4.196 5.988 . 0 0 "[ . 1 . 2]" 1
874 1 89 ASP HB3 1 122 VAL MG2 . . 9.000 4.507 2.346 5.713 . 0 0 "[ . 1 . 2]" 1
875 1 90 GLU H 1 90 GLU HB2 . . 3.800 3.175 2.466 3.865 0.065 3 0 "[ . 1 . 2]" 1
876 1 90 GLU H 1 90 GLU HB3 . . 3.800 3.187 2.350 3.695 . 0 0 "[ . 1 . 2]" 1
877 1 90 GLU H 1 92 ILE MD . . 6.530 5.013 4.284 6.566 0.036 16 0 "[ . 1 . 2]" 1
878 1 90 GLU H 1 92 ILE QG . . 6.380 5.395 4.672 6.405 0.025 16 0 "[ . 1 . 2]" 1
879 1 90 GLU H 1 122 VAL HA . . 5.000 4.790 4.239 5.078 0.078 8 0 "[ . 1 . 2]" 1
880 1 90 GLU H 1 122 VAL QG . . 8.090 4.427 2.797 5.033 . 0 0 "[ . 1 . 2]" 1
881 1 90 GLU H 1 123 LYS H . . 4.350 3.060 2.731 3.265 . 0 0 "[ . 1 . 2]" 1
882 1 90 GLU H 1 123 LYS HA . . 4.970 4.998 4.803 5.084 0.114 3 0 "[ . 1 . 2]" 1
883 1 90 GLU H 1 123 LYS HB2 . . 5.500 4.891 3.690 5.521 0.021 19 0 "[ . 1 . 2]" 1
884 1 90 GLU H 1 123 LYS HB3 . . 5.500 4.041 3.053 5.345 . 0 0 "[ . 1 . 2]" 1
885 1 90 GLU H 1 125 ALA H . . 4.910 3.961 3.503 4.687 . 0 0 "[ . 1 . 2]" 1
886 1 90 GLU HA 1 91 VAL H . . 3.330 2.287 2.172 2.448 . 0 0 "[ . 1 . 2]" 1
887 1 90 GLU HA 1 122 VAL QG . . 6.820 4.477 3.526 5.372 . 0 0 "[ . 1 . 2]" 1
888 1 91 VAL H 1 91 VAL HB . . 3.520 2.964 2.396 3.633 0.113 9 0 "[ . 1 . 2]" 1
889 1 91 VAL H 1 92 ILE MG . . 6.530 6.333 4.410 6.554 0.024 6 0 "[ . 1 . 2]" 1
890 1 91 VAL H 1 99 VAL QG . . 8.090 4.451 3.818 5.233 . 0 0 "[ . 1 . 2]" 1
891 1 91 VAL HA 1 92 ILE H . . 3.390 2.145 2.056 2.251 . 0 0 "[ . 1 . 2]" 1
892 1 91 VAL HA 1 93 GLU H . . 4.170 4.171 3.987 4.230 0.060 13 0 "[ . 1 . 2]" 1
893 1 91 VAL HA 1 99 VAL QG . . 8.090 4.471 3.906 4.993 . 0 0 "[ . 1 . 2]" 1
894 1 91 VAL HA 1 122 VAL HA . . 3.730 2.259 2.045 2.460 . 0 0 "[ . 1 . 2]" 1
895 1 91 VAL HA 1 122 VAL QG . . 5.420 2.512 1.972 3.260 . 0 0 "[ . 1 . 2]" 1
896 1 91 VAL HA 1 123 LYS H . . 4.290 3.637 3.331 4.105 . 0 0 "[ . 1 . 2]" 1
897 1 91 VAL QG 1 92 ILE H . . 5.790 2.743 2.321 3.384 . 0 0 "[ . 1 . 2]" 1
898 1 91 VAL QG 1 93 GLU H . . 6.570 3.401 2.608 4.396 . 0 0 "[ . 1 . 2]" 1
899 1 91 VAL QG 1 121 THR H . . 7.560 3.620 2.643 4.958 . 0 0 "[ . 1 . 2]" 1
900 1 92 ILE H 1 92 ILE HB . . 3.520 2.749 2.579 3.669 0.149 16 0 "[ . 1 . 2]" 1
901 1 92 ILE H 1 92 ILE MD . . 5.750 3.271 1.895 3.995 . 0 0 "[ . 1 . 2]" 1
902 1 92 ILE H 1 92 ILE HG12 . . 5.040 3.248 2.177 4.390 . 0 0 "[ . 1 . 2]" 1
903 1 92 ILE H 1 92 ILE QG . . 4.560 2.782 2.106 3.556 . 0 0 "[ . 1 . 2]" 1
904 1 92 ILE H 1 92 ILE HG13 . . 5.040 3.578 2.352 4.131 . 0 0 "[ . 1 . 2]" 1
905 1 92 ILE H 1 93 GLU H . . 3.490 2.181 2.053 2.317 . 0 0 "[ . 1 . 2]" 1
906 1 92 ILE H 1 93 GLU QB . . 5.450 4.661 4.500 4.787 . 0 0 "[ . 1 . 2]" 1
907 1 92 ILE H 1 99 VAL QG . . 7.590 3.872 3.331 4.638 . 0 0 "[ . 1 . 2]" 1
908 1 92 ILE H 1 122 VAL HA . . 3.890 3.031 2.654 3.372 . 0 0 "[ . 1 . 2]" 1
909 1 92 ILE H 1 122 VAL QG . . 5.550 3.820 3.447 4.422 . 0 0 "[ . 1 . 2]" 1
910 1 92 ILE H 1 123 LYS H . . 4.910 4.575 4.225 4.910 0.000 2 0 "[ . 1 . 2]" 1
911 1 92 ILE HA 1 92 ILE MD . . 4.420 2.827 2.051 4.119 . 0 0 "[ . 1 . 2]" 1
912 1 92 ILE HA 1 99 VAL QG . . 5.920 2.966 2.472 4.059 . 0 0 "[ . 1 . 2]" 1
913 1 92 ILE HA 1 121 THR HB . . 4.660 4.770 4.681 4.894 0.234 16 0 "[ . 1 . 2]" 1
914 1 92 ILE HA 1 121 THR MG . . 5.410 4.958 4.711 5.442 0.032 16 0 "[ . 1 . 2]" 1
915 1 92 ILE HB 1 93 GLU H . . 3.550 2.530 2.144 3.578 0.028 16 0 "[ . 1 . 2]" 1
916 1 92 ILE HB 1 93 GLU QG . . 5.050 2.730 2.329 3.018 . 0 0 "[ . 1 . 2]" 1
917 1 92 ILE HB 1 121 THR HB . . 4.730 2.611 2.219 4.211 . 0 0 "[ . 1 . 2]" 1
918 1 92 ILE HB 1 121 THR MG . . 4.920 2.546 2.222 4.325 . 0 0 "[ . 1 . 2]" 1
919 1 92 ILE MD 1 93 GLU QB . . 7.400 5.365 3.926 6.002 . 0 0 "[ . 1 . 2]" 1
920 1 92 ILE MD 1 121 THR HB . . 6.310 4.360 3.077 5.431 . 0 0 "[ . 1 . 2]" 1
921 1 92 ILE MD 1 121 THR MG . . 7.430 3.269 1.949 4.666 . 0 0 "[ . 1 . 2]" 1
922 1 92 ILE MD 1 122 VAL HA . . 6.530 3.896 2.050 5.148 . 0 0 "[ . 1 . 2]" 1
923 1 92 ILE MD 1 123 LYS H . . 6.310 3.710 2.236 4.589 . 0 0 "[ . 1 . 2]" 1
924 1 92 ILE MD 1 123 LYS HA . . 6.530 4.337 3.004 5.574 . 0 0 "[ . 1 . 2]" 1
925 1 92 ILE MD 1 123 LYS HB2 . . 4.820 2.541 1.828 3.791 . 0 0 "[ . 1 . 2]" 1
926 1 92 ILE MD 1 123 LYS QB . . 4.570 2.271 1.746 3.571 . 0 0 "[ . 1 . 2]" 1
927 1 92 ILE MD 1 123 LYS HB3 . . 4.820 2.972 1.957 4.583 . 0 0 "[ . 1 . 2]" 1
928 1 92 ILE MD 1 123 LYS QE . . 7.400 3.765 2.403 4.879 . 0 0 "[ . 1 . 2]" 1
929 1 92 ILE MD 1 123 LYS QG . . 6.320 3.154 2.002 3.844 . 0 0 "[ . 1 . 2]" 1
930 1 92 ILE QG 1 93 GLU H . . 5.320 3.897 2.208 4.420 . 0 0 "[ . 1 . 2]" 1
931 1 92 ILE QG 1 93 GLU QB . . 7.160 5.228 2.895 5.563 . 0 0 "[ . 1 . 2]" 1
932 1 92 ILE QG 1 93 GLU QG . . 5.760 4.224 2.303 4.507 . 0 0 "[ . 1 . 2]" 1
933 1 92 ILE QG 1 121 THR H . . 6.380 5.883 4.150 6.480 0.100 12 0 "[ . 1 . 2]" 1
934 1 92 ILE QG 1 121 THR HB . . 4.660 4.016 1.916 4.436 . 0 0 "[ . 1 . 2]" 1
935 1 92 ILE QG 1 122 VAL HA . . 5.820 3.467 2.303 4.582 . 0 0 "[ . 1 . 2]" 1
936 1 92 ILE QG 1 123 LYS H . . 6.380 3.612 2.820 4.682 . 0 0 "[ . 1 . 2]" 1
937 1 92 ILE HG12 1 93 GLU H . . 5.500 4.405 3.041 5.076 . 0 0 "[ . 1 . 2]" 1
938 1 92 ILE HG12 1 121 THR HB . . 5.100 4.576 2.827 5.160 0.060 9 0 "[ . 1 . 2]" 1
939 1 92 ILE HG13 1 93 GLU H . . 5.500 4.510 2.267 5.060 . 0 0 "[ . 1 . 2]" 1
940 1 92 ILE HG13 1 121 THR HB . . 5.100 4.607 1.949 5.167 0.067 2 0 "[ . 1 . 2]" 1
941 1 92 ILE MG 1 93 GLU H . . 6.340 3.487 3.232 4.146 . 0 0 "[ . 1 . 2]" 1
942 1 92 ILE MG 1 121 THR HB . . 5.910 3.900 3.555 4.580 . 0 0 "[ . 1 . 2]" 1
943 1 92 ILE MG 1 122 VAL H . . 6.500 6.302 5.714 6.584 0.084 18 0 "[ . 1 . 2]" 1
944 1 92 ILE MG 1 123 LYS QB . . 4.520 4.277 3.116 4.617 0.097 1 0 "[ . 1 . 2]" 1
945 1 93 GLU H 1 93 GLU HG2 . . 5.500 4.120 3.900 4.321 . 0 0 "[ . 1 . 2]" 1
946 1 93 GLU H 1 93 GLU HG3 . . 5.500 3.100 2.816 3.295 . 0 0 "[ . 1 . 2]" 1
947 1 93 GLU H 1 121 THR H . . 3.920 3.066 2.784 3.485 . 0 0 "[ . 1 . 2]" 1
948 1 93 GLU H 1 121 THR HB . . 4.380 1.719 1.546 1.891 . 0 0 "[ . 1 . 2]" 1
949 1 93 GLU H 1 121 THR MG . . 6.340 3.319 3.012 3.557 . 0 0 "[ . 1 . 2]" 1
950 1 93 GLU H 1 122 VAL HA . . 5.250 4.745 4.388 5.035 . 0 0 "[ . 1 . 2]" 1
951 1 93 GLU HA 1 94 VAL H . . 2.960 2.147 2.053 2.256 . 0 0 "[ . 1 . 2]" 1
952 1 93 GLU HA 1 98 GLU HA . . 3.110 2.272 2.006 2.700 . 0 0 "[ . 1 . 2]" 1
953 1 93 GLU HA 1 99 VAL H . . 3.670 2.998 2.288 3.477 . 0 0 "[ . 1 . 2]" 1
954 1 93 GLU HA 1 99 VAL MG1 . . 5.040 2.885 2.338 3.368 . 0 0 "[ . 1 . 2]" 1
955 1 93 GLU HA 1 99 VAL MG2 . . 5.040 3.519 2.453 4.146 . 0 0 "[ . 1 . 2]" 1
956 1 93 GLU QB 1 94 VAL HA . . 5.260 3.920 3.699 4.125 . 0 0 "[ . 1 . 2]" 1
957 1 93 GLU QB 1 121 THR H . . 6.380 3.618 3.096 4.457 . 0 0 "[ . 1 . 2]" 1
958 1 93 GLU QB 1 121 THR HA . . 6.380 4.639 4.311 4.965 . 0 0 "[ . 1 . 2]" 1
959 1 93 GLU QB 1 121 THR HB . . 5.820 2.414 2.170 2.745 . 0 0 "[ . 1 . 2]" 1
960 1 93 GLU QG 1 94 VAL H . . 5.640 3.902 3.738 4.184 . 0 0 "[ . 1 . 2]" 1
961 1 93 GLU QG 1 98 GLU HA . . 4.980 2.529 2.016 3.623 . 0 0 "[ . 1 . 2]" 1
962 1 93 GLU QG 1 99 VAL H . . 6.380 3.978 3.370 4.662 . 0 0 "[ . 1 . 2]" 1
963 1 93 GLU QG 1 99 VAL QG . . 7.820 4.070 3.829 4.436 . 0 0 "[ . 1 . 2]" 1
964 1 93 GLU QG 1 100 ALA H . . 6.380 5.371 4.463 6.128 . 0 0 "[ . 1 . 2]" 1
965 1 93 GLU QG 1 121 THR H . . 6.070 5.172 4.655 5.717 . 0 0 "[ . 1 . 2]" 1
966 1 93 GLU QG 1 121 THR HB . . 4.280 3.208 2.565 3.552 . 0 0 "[ . 1 . 2]" 1
967 1 93 GLU QG 1 121 THR MG . . 5.630 3.247 2.639 3.642 . 0 0 "[ . 1 . 2]" 1
968 1 93 GLU HG2 1 98 GLU HA . . 5.310 2.565 2.027 3.711 . 0 0 "[ . 1 . 2]" 1
969 1 93 GLU HG2 1 121 THR HB . . 4.850 4.618 4.100 4.895 0.045 6 0 "[ . 1 . 2]" 1
970 1 93 GLU HG2 1 121 THR MG . . 6.190 4.722 4.112 5.132 . 0 0 "[ . 1 . 2]" 1
971 1 93 GLU HG3 1 98 GLU HA . . 5.310 3.905 3.389 5.059 . 0 0 "[ . 1 . 2]" 1
972 1 93 GLU HG3 1 121 THR HB . . 4.850 3.275 2.592 3.647 . 0 0 "[ . 1 . 2]" 1
973 1 93 GLU HG3 1 121 THR MG . . 6.190 3.309 2.671 3.726 . 0 0 "[ . 1 . 2]" 1
974 1 94 VAL H 1 94 VAL HB . . 3.390 2.601 2.515 2.763 . 0 0 "[ . 1 . 2]" 1
975 1 94 VAL H 1 97 ILE H . . 3.860 2.981 2.801 3.196 . 0 0 "[ . 1 . 2]" 1
976 1 94 VAL H 1 97 ILE HB . . 4.320 3.314 3.003 3.737 . 0 0 "[ . 1 . 2]" 1
977 1 94 VAL H 1 98 GLU HA . . 3.330 3.424 3.352 3.522 0.192 2 0 "[ . 1 . 2]" 1
978 1 94 VAL H 1 99 VAL MG1 . . 6.530 3.048 2.710 3.861 . 0 0 "[ . 1 . 2]" 1
979 1 94 VAL H 1 99 VAL QG . . 5.690 3.002 2.589 3.794 . 0 0 "[ . 1 . 2]" 1
980 1 94 VAL H 1 99 VAL MG2 . . 6.530 4.644 3.233 5.562 . 0 0 "[ . 1 . 2]" 1
981 1 94 VAL H 1 110 MET ME . . 4.850 3.690 3.029 4.580 . 0 0 "[ . 1 . 2]" 1
982 1 94 VAL HA 1 95 ASN H . . 3.240 2.124 2.061 2.202 . 0 0 "[ . 1 . 2]" 1
983 1 94 VAL HA 1 120 ILE HA . . 2.990 2.679 2.315 3.023 0.033 11 0 "[ . 1 . 2]" 1
984 1 94 VAL HA 1 120 ILE HB . . 5.500 4.195 3.256 5.511 0.011 19 0 "[ . 1 . 2]" 1
985 1 94 VAL HA 1 120 ILE MG . . 5.630 5.028 3.510 5.550 . 0 0 "[ . 1 . 2]" 1
986 1 94 VAL HA 1 121 THR H . . 4.820 3.449 3.089 3.879 . 0 0 "[ . 1 . 2]" 1
987 1 94 VAL HB 1 96 GLY H . . 4.480 4.498 4.348 4.550 0.070 14 0 "[ . 1 . 2]" 1
988 1 94 VAL HB 1 97 ILE H . . 3.950 3.803 3.510 4.003 0.053 7 0 "[ . 1 . 2]" 1
989 1 94 VAL QG 1 95 ASN H . . 7.000 3.055 2.803 3.201 . 0 0 "[ . 1 . 2]" 1
990 1 94 VAL QG 1 95 ASN HA . . 7.130 4.170 3.903 4.349 . 0 0 "[ . 1 . 2]" 1
991 1 94 VAL QG 1 95 ASN QB . . 7.230 2.724 2.542 2.927 . 0 0 "[ . 1 . 2]" 1
992 1 94 VAL QG 1 96 GLY H . . 8.090 3.953 3.794 4.088 . 0 0 "[ . 1 . 2]" 1
993 1 94 VAL QG 1 110 MET H . . 8.090 4.650 4.311 5.423 . 0 0 "[ . 1 . 2]" 1
994 1 94 VAL QG 1 110 MET HA . . 6.630 4.591 3.919 5.556 . 0 0 "[ . 1 . 2]" 1
995 1 94 VAL QG 1 110 MET QB . . 6.370 2.842 2.148 4.049 . 0 0 "[ . 1 . 2]" 1
996 1 94 VAL QG 1 110 MET ME . . 6.670 2.471 1.998 3.814 . 0 0 "[ . 1 . 2]" 1
997 1 94 VAL QG 1 110 MET QG . . 7.510 3.857 2.474 4.473 . 0 0 "[ . 1 . 2]" 1
998 1 94 VAL QG 1 111 MET H . . 8.090 3.058 2.805 3.680 . 0 0 "[ . 1 . 2]" 1
999 1 94 VAL QG 1 111 MET HA . . 6.100 2.305 1.999 2.754 . 0 0 "[ . 1 . 2]" 1
1000 1 94 VAL QG 1 111 MET QB . . 6.770 2.008 1.790 3.474 . 0 0 "[ . 1 . 2]" 1
1001 1 94 VAL QG 1 111 MET ME . . 6.390 2.523 1.852 3.565 . 0 0 "[ . 1 . 2]" 1
1002 1 94 VAL QG 1 111 MET QG . . 4.320 3.311 2.696 3.722 . 0 0 "[ . 1 . 2]" 1
1003 1 94 VAL QG 1 114 ASN QB . . 7.610 3.504 2.686 4.123 . 0 0 "[ . 1 . 2]" 1
1004 1 94 VAL QG 1 114 ASN QD . . 7.560 4.131 2.902 5.451 . 0 0 "[ . 1 . 2]" 1
1005 1 94 VAL MG1 1 95 ASN HB2 . . 8.840 3.056 2.848 3.299 . 0 0 "[ . 1 . 2]" 1
1006 1 94 VAL MG1 1 95 ASN HB3 . . 8.840 3.101 2.839 3.320 . 0 0 "[ . 1 . 2]" 1
1007 1 94 VAL MG1 1 110 MET HB2 . . 8.310 3.493 2.766 6.121 . 0 0 "[ . 1 . 2]" 1
1008 1 94 VAL MG1 1 110 MET HB3 . . 8.310 3.500 2.413 5.447 . 0 0 "[ . 1 . 2]" 1
1009 1 94 VAL MG1 1 110 MET HG2 . . 9.210 4.939 2.730 5.973 . 0 0 "[ . 1 . 2]" 1
1010 1 94 VAL MG1 1 110 MET HG3 . . 9.210 4.731 2.727 5.559 . 0 0 "[ . 1 . 2]" 1
1011 1 94 VAL MG1 1 111 MET HB2 . . 8.720 2.962 2.502 4.268 . 0 0 "[ . 1 . 2]" 1
1012 1 94 VAL MG1 1 111 MET HB3 . . 8.720 2.131 1.820 3.873 . 0 0 "[ . 1 . 2]" 1
1013 1 94 VAL MG1 1 111 MET HG2 . . 5.070 3.815 3.036 4.673 . 0 0 "[ . 1 . 2]" 1
1014 1 94 VAL MG1 1 111 MET HG3 . . 5.070 4.374 3.842 4.821 . 0 0 "[ . 1 . 2]" 1
1015 1 94 VAL MG1 1 114 ASN HB2 . . 9.310 3.969 3.423 4.788 . 0 0 "[ . 1 . 2]" 1
1016 1 94 VAL MG1 1 114 ASN HB3 . . 9.310 4.176 2.791 4.865 . 0 0 "[ . 1 . 2]" 1
1017 1 94 VAL MG1 1 114 ASN HD21 . . 9.490 4.419 2.963 6.032 . 0 0 "[ . 1 . 2]" 1
1018 1 94 VAL MG1 1 114 ASN HD22 . . 9.490 5.313 4.333 6.628 . 0 0 "[ . 1 . 2]" 1
1019 1 94 VAL MG2 1 95 ASN HB2 . . 8.840 5.495 5.161 5.741 . 0 0 "[ . 1 . 2]" 1
1020 1 94 VAL MG2 1 95 ASN HB3 . . 8.840 5.427 5.276 5.573 . 0 0 "[ . 1 . 2]" 1
1021 1 94 VAL MG2 1 110 MET HB2 . . 8.310 3.926 2.830 5.691 . 0 0 "[ . 1 . 2]" 1
1022 1 94 VAL MG2 1 110 MET HB3 . . 8.310 4.326 3.196 5.975 . 0 0 "[ . 1 . 2]" 1
1023 1 94 VAL MG2 1 110 MET HG2 . . 9.210 5.381 2.924 6.568 . 0 0 "[ . 1 . 2]" 1
1024 1 94 VAL MG2 1 110 MET HG3 . . 9.210 4.911 2.794 5.824 . 0 0 "[ . 1 . 2]" 1
1025 1 94 VAL MG2 1 111 MET HB2 . . 8.720 4.121 3.563 5.179 . 0 0 "[ . 1 . 2]" 1
1026 1 94 VAL MG2 1 111 MET HB3 . . 8.720 2.931 2.491 5.115 . 0 0 "[ . 1 . 2]" 1
1027 1 94 VAL MG2 1 111 MET HG2 . . 5.070 4.109 3.202 4.755 . 0 0 "[ . 1 . 2]" 1
1028 1 94 VAL MG2 1 111 MET HG3 . . 5.070 5.049 4.237 5.150 0.080 5 0 "[ . 1 . 2]" 1
1029 1 94 VAL MG2 1 114 ASN HB2 . . 9.310 6.402 5.603 7.288 . 0 0 "[ . 1 . 2]" 1
1030 1 94 VAL MG2 1 114 ASN HB3 . . 9.310 6.705 5.101 7.362 . 0 0 "[ . 1 . 2]" 1
1031 1 94 VAL MG2 1 114 ASN HD21 . . 9.490 6.797 5.546 8.570 . 0 0 "[ . 1 . 2]" 1
1032 1 94 VAL MG2 1 114 ASN HD22 . . 9.490 7.671 6.430 9.118 . 0 0 "[ . 1 . 2]" 1
1033 1 95 ASN H 1 96 GLY H . . 4.350 3.688 2.734 3.951 . 0 0 "[ . 1 . 2]" 1
1034 1 95 ASN H 1 119 ILE H . . 4.730 3.316 2.692 4.214 . 0 0 "[ . 1 . 2]" 1
1035 1 95 ASN H 1 119 ILE HB . . 5.070 2.838 2.057 3.760 . 0 0 "[ . 1 . 2]" 1
1036 1 95 ASN H 1 119 ILE MG . . 6.530 3.307 2.496 3.961 . 0 0 "[ . 1 . 2]" 1
1037 1 95 ASN H 1 120 ILE HA . . 4.790 3.244 2.465 3.965 . 0 0 "[ . 1 . 2]" 1
1038 1 95 ASN H 1 121 THR H . . 4.820 4.178 3.307 4.648 . 0 0 "[ . 1 . 2]" 1
1039 1 95 ASN HA 1 96 GLY H . . 3.550 3.458 3.176 3.525 . 0 0 "[ . 1 . 2]" 1
1040 1 95 ASN HA 1 119 ILE H . . 4.940 3.155 2.135 4.156 . 0 0 "[ . 1 . 2]" 1
1041 1 95 ASN HA 1 119 ILE HB . . 3.950 1.992 1.774 2.514 . 0 0 "[ . 1 . 2]" 1
1042 1 95 ASN HA 1 119 ILE MD . . 5.320 3.024 2.035 4.037 . 0 0 "[ . 1 . 2]" 1
1043 1 95 ASN HA 1 119 ILE MG . . 5.810 3.269 2.407 3.923 . 0 0 "[ . 1 . 2]" 1
1044 1 95 ASN QB 1 97 ILE MD . . 7.250 3.121 2.134 3.837 . 0 0 "[ . 1 . 2]" 1
1045 1 95 ASN QB 1 97 ILE MG . . 5.450 5.204 4.843 5.520 0.070 18 0 "[ . 1 . 2]" 1
1046 1 95 ASN QB 1 110 MET ME . . 4.870 4.953 4.640 5.044 0.174 2 0 "[ . 1 . 2]" 1
1047 1 95 ASN HB2 1 119 ILE HB . . 5.500 3.661 2.418 4.559 . 0 0 "[ . 1 . 2]" 1
1048 1 95 ASN HB3 1 119 ILE HB . . 5.500 4.660 3.870 5.486 . 0 0 "[ . 1 . 2]" 1
1049 1 95 ASN QD 1 114 ASN QB . . 7.240 3.680 2.391 4.854 . 0 0 "[ . 1 . 2]" 1
1050 1 95 ASN QD 1 119 ILE H . . 6.370 4.112 3.129 5.466 . 0 0 "[ . 1 . 2]" 1
1051 1 95 ASN QD 1 119 ILE MD . . 5.230 3.505 2.439 4.474 . 0 0 "[ . 1 . 2]" 1
1052 1 95 ASN HD21 1 119 ILE HB . . 5.500 4.626 2.955 5.621 0.121 8 0 "[ . 1 . 2]" 1
1053 1 95 ASN HD21 1 119 ILE MD . . 5.500 4.004 2.588 5.512 0.012 8 0 "[ . 1 . 2]" 1
1054 1 95 ASN HD22 1 119 ILE HB . . 5.500 5.317 4.508 5.545 0.045 14 0 "[ . 1 . 2]" 1
1055 1 95 ASN HD22 1 119 ILE MD . . 5.500 3.994 2.979 4.732 . 0 0 "[ . 1 . 2]" 1
1056 1 96 GLY H 1 97 ILE H . . 3.980 1.687 1.500 1.973 . 0 0 "[ . 1 . 2]" 1
1057 1 97 ILE H 1 97 ILE HB . . 3.080 2.667 2.481 2.869 . 0 0 "[ . 1 . 2]" 1
1058 1 97 ILE H 1 97 ILE MD . . 5.320 3.479 1.962 3.783 . 0 0 "[ . 1 . 2]" 1
1059 1 97 ILE H 1 97 ILE HG12 . . 4.290 3.608 3.351 4.173 . 0 0 "[ . 1 . 2]" 1
1060 1 97 ILE H 1 97 ILE QG . . 4.010 2.334 2.040 3.276 . 0 0 "[ . 1 . 2]" 1
1061 1 97 ILE H 1 97 ILE HG13 . . 4.290 2.369 2.058 3.424 . 0 0 "[ . 1 . 2]" 1
1062 1 97 ILE H 1 98 GLU H . . 4.790 4.357 4.135 4.470 . 0 0 "[ . 1 . 2]" 1
1063 1 97 ILE H 1 110 MET ME . . 5.010 4.306 3.851 4.738 . 0 0 "[ . 1 . 2]" 1
1064 1 97 ILE HA 1 97 ILE MD . . 4.360 3.954 3.464 4.087 . 0 0 "[ . 1 . 2]" 1
1065 1 97 ILE HA 1 97 ILE HG12 . . 3.950 2.942 2.631 3.840 . 0 0 "[ . 1 . 2]" 1
1066 1 97 ILE HA 1 97 ILE QG . . 3.740 2.665 2.485 2.841 . 0 0 "[ . 1 . 2]" 1
1067 1 97 ILE HA 1 97 ILE HG13 . . 3.950 3.168 2.685 3.389 . 0 0 "[ . 1 . 2]" 1
1068 1 97 ILE HA 1 98 GLU H . . 2.740 2.298 2.126 2.377 . 0 0 "[ . 1 . 2]" 1
1069 1 97 ILE HA 1 98 GLU HG2 . . 5.380 4.777 3.582 5.396 0.016 16 0 "[ . 1 . 2]" 1
1070 1 97 ILE HA 1 98 GLU QG . . 5.210 3.875 3.528 4.353 . 0 0 "[ . 1 . 2]" 1
1071 1 97 ILE HA 1 98 GLU HG3 . . 5.380 4.499 3.890 5.513 0.133 20 0 "[ . 1 . 2]" 1
1072 1 97 ILE HB 1 98 GLU H . . 4.350 4.049 3.792 4.318 . 0 0 "[ . 1 . 2]" 1
1073 1 97 ILE MD 1 98 GLU H . . 5.500 5.365 5.075 5.525 0.025 12 0 "[ . 1 . 2]" 1
1074 1 97 ILE MD 1 110 MET ME . . 6.970 2.630 2.046 3.113 . 0 0 "[ . 1 . 2]" 1
1075 1 97 ILE MD 1 111 MET HA . . 4.300 4.431 4.372 4.536 0.236 11 0 "[ . 1 . 2]" 1
1076 1 97 ILE QG 1 98 GLU H . . 4.990 4.532 4.406 4.647 . 0 0 "[ . 1 . 2]" 1
1077 1 97 ILE QG 1 110 MET QB . . 6.010 4.540 3.306 6.152 0.142 4 0 "[ . 1 . 2]" 1
1078 1 97 ILE QG 1 110 MET ME . . 4.040 3.690 3.378 3.965 . 0 0 "[ . 1 . 2]" 1
1079 1 97 ILE HG12 1 98 GLU H . . 5.350 5.006 4.763 5.385 0.035 6 0 "[ . 1 . 2]" 1
1080 1 97 ILE HG12 1 110 MET ME . . 4.420 4.195 3.511 4.496 0.076 13 0 "[ . 1 . 2]" 1
1081 1 97 ILE HG13 1 98 GLU H . . 5.350 5.209 4.748 5.354 0.004 16 0 "[ . 1 . 2]" 1
1082 1 97 ILE HG13 1 110 MET ME . . 4.420 4.139 3.752 4.544 0.124 9 0 "[ . 1 . 2]" 1
1083 1 97 ILE MG 1 98 GLU H . . 4.300 2.783 2.416 3.075 . 0 0 "[ . 1 . 2]" 1
1084 1 97 ILE MG 1 110 MET ME . . 4.890 2.179 1.871 2.622 . 0 0 "[ . 1 . 2]" 1
1085 1 97 ILE MG 1 110 MET QG . . 6.380 3.592 2.465 4.542 . 0 0 "[ . 1 . 2]" 1
1086 1 98 GLU H 1 98 GLU HB2 . . 3.360 2.552 2.300 3.504 0.144 6 0 "[ . 1 . 2]" 1
1087 1 98 GLU H 1 98 GLU HB3 . . 3.360 3.411 2.754 3.526 0.166 19 0 "[ . 1 . 2]" 1
1088 1 98 GLU H 1 98 GLU HG2 . . 4.110 3.033 1.895 3.679 . 0 0 "[ . 1 . 2]" 1
1089 1 98 GLU H 1 98 GLU QG . . 3.930 2.253 1.878 2.566 . 0 0 "[ . 1 . 2]" 1
1090 1 98 GLU H 1 98 GLU HG3 . . 4.110 2.716 2.068 3.632 . 0 0 "[ . 1 . 2]" 1
1091 1 98 GLU H 1 99 VAL H . . 4.880 4.507 4.402 4.572 . 0 0 "[ . 1 . 2]" 1
1092 1 98 GLU H 1 110 MET ME . . 6.220 4.553 3.821 5.366 . 0 0 "[ . 1 . 2]" 1
1093 1 98 GLU HA 1 98 GLU HG2 . . 4.200 2.857 2.476 3.799 . 0 0 "[ . 1 . 2]" 1
1094 1 98 GLU HA 1 98 GLU HG3 . . 4.200 3.365 2.981 4.229 0.029 20 0 "[ . 1 . 2]" 1
1095 1 98 GLU HA 1 99 VAL H . . 2.960 2.252 2.087 2.411 . 0 0 "[ . 1 . 2]" 1
1096 1 98 GLU HA 1 99 VAL QG . . 6.690 3.233 3.131 3.537 . 0 0 "[ . 1 . 2]" 1
1097 1 98 GLU HA 1 100 ALA H . . 4.040 3.767 3.342 4.062 0.022 19 0 "[ . 1 . 2]" 1
1098 1 98 GLU QB 1 99 VAL QG . . 8.600 3.789 3.463 3.993 . 0 0 "[ . 1 . 2]" 1
1099 1 98 GLU QB 1 100 ALA H . . 3.470 2.366 1.989 2.604 . 0 0 "[ . 1 . 2]" 1
1100 1 98 GLU QB 1 100 ALA MB . . 6.570 2.904 2.465 3.483 . 0 0 "[ . 1 . 2]" 1
1101 1 98 GLU HB2 1 99 VAL H . . 3.860 3.633 2.375 3.902 0.042 5 0 "[ . 1 . 2]" 1
1102 1 98 GLU HB2 1 100 ALA H . . 3.640 3.176 1.997 3.677 0.037 4 0 "[ . 1 . 2]" 1
1103 1 98 GLU HB3 1 99 VAL H . . 3.860 2.882 2.297 3.760 . 0 0 "[ . 1 . 2]" 1
1104 1 98 GLU HB3 1 100 ALA H . . 3.640 2.681 2.100 3.826 0.186 6 0 "[ . 1 . 2]" 1
1105 1 98 GLU QG 1 100 ALA MB . . 7.100 4.218 2.703 4.861 . 0 0 "[ . 1 . 2]" 1
1106 1 98 GLU HG2 1 99 VAL H . . 5.500 4.406 3.937 5.217 . 0 0 "[ . 1 . 2]" 1
1107 1 98 GLU HG2 1 100 ALA H . . 5.440 4.824 3.331 5.501 0.061 3 0 "[ . 1 . 2]" 1
1108 1 98 GLU HG3 1 99 VAL H . . 5.500 4.883 3.912 5.365 . 0 0 "[ . 1 . 2]" 1
1109 1 98 GLU HG3 1 100 ALA H . . 5.440 4.926 3.084 5.491 0.051 19 0 "[ . 1 . 2]" 1
1110 1 99 VAL H 1 99 VAL HB . . 4.110 3.733 3.694 3.815 . 0 0 "[ . 1 . 2]" 1
1111 1 99 VAL H 1 99 VAL MG1 . . 4.480 2.552 2.359 2.975 . 0 0 "[ . 1 . 2]" 1
1112 1 99 VAL H 1 99 VAL QG . . 4.080 2.026 1.894 2.152 . 0 0 "[ . 1 . 2]" 1
1113 1 99 VAL H 1 99 VAL MG2 . . 4.480 2.136 1.962 2.341 . 0 0 "[ . 1 . 2]" 1
1114 1 99 VAL H 1 100 ALA H . . 3.450 2.334 1.989 2.669 . 0 0 "[ . 1 . 2]" 1
1115 1 99 VAL H 1 110 MET ME . . 6.530 4.589 3.709 5.535 . 0 0 "[ . 1 . 2]" 1
1116 1 99 VAL HA 1 102 LYS H . . 4.510 4.061 3.811 4.511 0.001 16 0 "[ . 1 . 2]" 1
1117 1 99 VAL HA 1 102 LYS HB2 . . 4.260 3.147 2.621 4.343 0.083 11 0 "[ . 1 . 2]" 1
1118 1 99 VAL HA 1 102 LYS QB . . 3.760 2.909 2.589 3.285 . 0 0 "[ . 1 . 2]" 1
1119 1 99 VAL HA 1 102 LYS HB3 . . 4.260 3.932 2.860 4.342 0.082 4 0 "[ . 1 . 2]" 1
1120 1 99 VAL HA 1 102 LYS HD2 . . 4.970 3.686 2.067 4.976 0.006 11 0 "[ . 1 . 2]" 1
1121 1 99 VAL HA 1 102 LYS QD . . 4.490 3.320 2.051 4.244 . 0 0 "[ . 1 . 2]" 1
1122 1 99 VAL HA 1 102 LYS HD3 . . 4.970 4.165 3.398 4.603 . 0 0 "[ . 1 . 2]" 1
1123 1 99 VAL HA 1 102 LYS QE . . 6.380 3.581 1.804 4.541 . 0 0 "[ . 1 . 2]" 1
1124 1 99 VAL HA 1 102 LYS QG . . 5.690 2.680 1.773 4.216 . 0 0 "[ . 1 . 2]" 1
1125 1 99 VAL HA 1 107 VAL QG . . 6.440 3.262 2.306 4.010 . 0 0 "[ . 1 . 2]" 1
1126 1 99 VAL HA 1 110 MET ME . . 4.510 3.284 2.568 4.411 . 0 0 "[ . 1 . 2]" 1
1127 1 99 VAL HB 1 100 ALA H . . 4.480 4.355 4.263 4.421 . 0 0 "[ . 1 . 2]" 1
1128 1 99 VAL HB 1 102 LYS H . . 5.100 4.251 3.774 5.108 0.008 3 0 "[ . 1 . 2]" 1
1129 1 99 VAL HB 1 102 LYS HD2 . . 5.500 4.925 3.963 5.562 0.062 17 0 "[ . 1 . 2]" 1
1130 1 99 VAL HB 1 102 LYS QD . . 5.320 4.491 3.505 4.951 . 0 0 "[ . 1 . 2]" 1
1131 1 99 VAL HB 1 102 LYS HD3 . . 5.500 5.328 3.774 5.649 0.149 6 0 "[ . 1 . 2]" 1
1132 1 99 VAL HB 1 102 LYS QG . . 6.380 3.750 2.279 5.140 . 0 0 "[ . 1 . 2]" 1
1133 1 99 VAL HB 1 107 VAL QG . . 5.700 2.324 1.857 3.203 . 0 0 "[ . 1 . 2]" 1
1134 1 99 VAL QG 1 100 ALA H . . 5.140 3.115 2.839 3.365 . 0 0 "[ . 1 . 2]" 1
1135 1 99 VAL QG 1 100 ALA HA . . 7.160 3.389 3.085 3.714 . 0 0 "[ . 1 . 2]" 1
1136 1 99 VAL QG 1 102 LYS H . . 8.090 4.242 3.896 4.657 . 0 0 "[ . 1 . 2]" 1
1137 1 99 VAL QG 1 102 LYS QB . . 4.740 3.500 3.082 4.045 . 0 0 "[ . 1 . 2]" 1
1138 1 99 VAL QG 1 102 LYS QD . . 5.760 3.960 3.438 4.487 . 0 0 "[ . 1 . 2]" 1
1139 1 99 VAL QG 1 103 THR HB . . 8.090 7.425 6.717 7.964 . 0 0 "[ . 1 . 2]" 1
1140 1 99 VAL QG 1 104 LEU H . . 8.090 6.947 6.154 7.419 . 0 0 "[ . 1 . 2]" 1
1141 1 99 VAL QG 1 104 LEU HA . . 6.100 5.608 4.701 6.085 . 0 0 "[ . 1 . 2]" 1
1142 1 99 VAL QG 1 107 VAL QG . . 7.420 1.931 1.797 2.110 . 0 0 "[ . 1 . 2]" 1
1143 1 99 VAL QG 1 111 MET ME . . 6.670 4.486 3.476 6.204 . 0 0 "[ . 1 . 2]" 1
1144 1 99 VAL MG1 1 100 ALA H . . 5.880 4.181 4.065 4.317 . 0 0 "[ . 1 . 2]" 1
1145 1 99 VAL MG1 1 102 LYS HB2 . . 5.830 4.097 3.383 5.306 . 0 0 "[ . 1 . 2]" 1
1146 1 99 VAL MG1 1 102 LYS HB3 . . 5.830 4.571 4.044 5.160 . 0 0 "[ . 1 . 2]" 1
1147 1 99 VAL MG1 1 102 LYS HD2 . . 7.130 4.530 3.604 5.169 . 0 0 "[ . 1 . 2]" 1
1148 1 99 VAL MG1 1 102 LYS HD3 . . 7.130 4.840 4.003 5.545 . 0 0 "[ . 1 . 2]" 1
1149 1 99 VAL MG1 1 102 LYS QG . . 6.690 3.814 2.661 5.194 . 0 0 "[ . 1 . 2]" 1
1150 1 99 VAL MG1 1 107 VAL MG1 . . 9.400 2.499 1.929 4.285 . 0 0 "[ . 1 . 2]" 1
1151 1 99 VAL MG1 1 107 VAL MG2 . . 9.400 2.328 1.865 3.065 . 0 0 "[ . 1 . 2]" 1
1152 1 99 VAL MG2 1 100 ALA H . . 5.880 3.216 2.895 3.511 . 0 0 "[ . 1 . 2]" 1
1153 1 99 VAL MG2 1 102 LYS HB2 . . 5.830 4.471 3.766 5.968 0.138 10 0 "[ . 1 . 2]" 1
1154 1 99 VAL MG2 1 102 LYS HB3 . . 5.830 5.369 4.529 5.846 0.016 16 0 "[ . 1 . 2]" 1
1155 1 99 VAL MG2 1 102 LYS HD2 . . 7.130 5.818 4.844 6.581 . 0 0 "[ . 1 . 2]" 1
1156 1 99 VAL MG2 1 102 LYS HD3 . . 7.130 6.257 5.074 6.640 . 0 0 "[ . 1 . 2]" 1
1157 1 99 VAL MG2 1 102 LYS QG . . 6.690 4.577 3.454 5.748 . 0 0 "[ . 1 . 2]" 1
1158 1 99 VAL MG2 1 107 VAL MG1 . . 9.400 3.790 2.559 5.180 . 0 0 "[ . 1 . 2]" 1
1159 1 99 VAL MG2 1 107 VAL MG2 . . 9.400 3.386 2.371 3.836 . 0 0 "[ . 1 . 2]" 1
1160 1 100 ALA H 1 101 GLY H . . 4.450 4.362 4.267 4.473 0.023 1 0 "[ . 1 . 2]" 1
1161 1 100 ALA HA 1 101 GLY H . . 2.650 2.130 2.083 2.185 . 0 0 "[ . 1 . 2]" 1
1162 1 100 ALA HA 1 101 GLY QA . . 4.580 3.873 3.820 3.913 . 0 0 "[ . 1 . 2]" 1
1163 1 100 ALA HA 1 102 LYS QE . . 6.380 6.107 5.528 6.559 0.179 7 0 "[ . 1 . 2]" 1
1164 1 100 ALA HA 1 102 LYS QG . . 6.380 4.919 3.943 6.421 0.041 1 0 "[ . 1 . 2]" 1
1165 1 100 ALA MB 1 101 GLY H . . 4.420 3.325 2.953 3.463 . 0 0 "[ . 1 . 2]" 1
1166 1 100 ALA MB 1 101 GLY HA2 . . 6.530 4.555 4.342 4.713 . 0 0 "[ . 1 . 2]" 1
1167 1 100 ALA MB 1 101 GLY HA3 . . 6.530 4.058 3.963 4.114 . 0 0 "[ . 1 . 2]" 1
1168 1 100 ALA MB 1 102 LYS H . . 6.250 4.523 4.229 4.764 . 0 0 "[ . 1 . 2]" 1
1169 1 101 GLY H 1 102 LYS H . . 3.390 2.329 2.175 2.571 . 0 0 "[ . 1 . 2]" 1
1170 1 101 GLY QA 1 102 LYS QG . . 7.260 4.236 3.558 5.468 . 0 0 "[ . 1 . 2]" 1
1171 1 101 GLY HA2 1 102 LYS H . . 3.640 3.224 3.121 3.345 . 0 0 "[ . 1 . 2]" 1
1172 1 101 GLY HA3 1 102 LYS H . . 3.640 3.342 3.129 3.422 . 0 0 "[ . 1 . 2]" 1
1173 1 102 LYS H 1 102 LYS HB2 . . 3.610 2.583 2.387 3.701 0.091 11 0 "[ . 1 . 2]" 1
1174 1 102 LYS H 1 102 LYS QB . . 3.350 2.425 2.075 2.875 . 0 0 "[ . 1 . 2]" 1
1175 1 102 LYS H 1 102 LYS HB3 . . 3.610 3.430 2.246 3.662 0.052 18 0 "[ . 1 . 2]" 1
1176 1 102 LYS H 1 102 LYS HD2 . . 5.500 4.627 3.236 5.315 . 0 0 "[ . 1 . 2]" 1
1177 1 102 LYS H 1 102 LYS HD3 . . 5.500 4.925 3.793 5.706 0.206 1 0 "[ . 1 . 2]" 1
1178 1 102 LYS H 1 102 LYS QE . . 6.380 4.289 3.261 4.976 . 0 0 "[ . 1 . 2]" 1
1179 1 102 LYS H 1 103 THR H . . 4.660 4.474 4.389 4.528 . 0 0 "[ . 1 . 2]" 1
1180 1 102 LYS H 1 107 VAL QG . . 8.090 4.433 3.740 5.829 . 0 0 "[ . 1 . 2]" 1
1181 1 102 LYS HA 1 102 LYS HD2 . . 4.760 3.967 2.092 4.590 . 0 0 "[ . 1 . 2]" 1
1182 1 102 LYS HA 1 102 LYS QD . . 4.580 3.375 1.909 4.142 . 0 0 "[ . 1 . 2]" 1
1183 1 102 LYS HA 1 102 LYS HD3 . . 4.760 3.859 1.947 4.798 0.038 3 0 "[ . 1 . 2]" 1
1184 1 102 LYS HA 1 103 THR H . . 3.360 2.335 2.104 2.564 . 0 0 "[ . 1 . 2]" 1
1185 1 102 LYS QB 1 103 THR H . . 4.580 2.415 1.955 3.485 . 0 0 "[ . 1 . 2]" 1
1186 1 102 LYS QB 1 106 GLN H . . 5.450 4.861 4.428 5.605 0.155 3 0 "[ . 1 . 2]" 1
1187 1 102 LYS QB 1 106 GLN QB . . 7.250 2.816 2.240 3.822 . 0 0 "[ . 1 . 2]" 1
1188 1 102 LYS QB 1 107 VAL H . . 5.920 3.721 3.148 4.576 . 0 0 "[ . 1 . 2]" 1
1189 1 102 LYS QD 1 106 GLN HA . . 5.330 5.113 4.088 5.471 0.141 7 0 "[ . 1 . 2]" 1
1190 1 102 LYS QD 1 106 GLN QB . . 5.990 2.990 1.865 3.871 . 0 0 "[ . 1 . 2]" 1
1191 1 102 LYS QD 1 107 VAL QG . . 6.980 3.316 2.194 4.661 . 0 0 "[ . 1 . 2]" 1
1192 1 102 LYS QD 1 110 MET ME . . 4.680 3.506 2.246 4.771 0.091 4 0 "[ . 1 . 2]" 1
1193 1 102 LYS HD2 1 103 THR H . . 5.500 4.522 2.963 5.534 0.034 14 0 "[ . 1 . 2]" 1
1194 1 102 LYS HD2 1 106 GLN HB2 . . 6.940 4.984 2.627 6.783 . 0 0 "[ . 1 . 2]" 1
1195 1 102 LYS HD2 1 106 GLN HB3 . . 6.940 4.181 1.926 5.864 . 0 0 "[ . 1 . 2]" 1
1196 1 102 LYS HD2 1 107 VAL MG1 . . 8.750 5.399 4.036 6.544 . 0 0 "[ . 1 . 2]" 1
1197 1 102 LYS HD2 1 107 VAL MG2 . . 8.750 3.922 2.272 5.551 . 0 0 "[ . 1 . 2]" 1
1198 1 102 LYS HD3 1 103 THR H . . 5.500 4.345 3.314 5.542 0.042 18 0 "[ . 1 . 2]" 1
1199 1 102 LYS HD3 1 106 GLN HB2 . . 6.940 4.557 2.950 6.531 . 0 0 "[ . 1 . 2]" 1
1200 1 102 LYS HD3 1 106 GLN HB3 . . 6.940 3.744 2.175 5.632 . 0 0 "[ . 1 . 2]" 1
1201 1 102 LYS HD3 1 107 VAL MG1 . . 8.750 5.579 3.354 6.869 . 0 0 "[ . 1 . 2]" 1
1202 1 102 LYS HD3 1 107 VAL MG2 . . 8.750 3.993 2.829 5.545 . 0 0 "[ . 1 . 2]" 1
1203 1 102 LYS QE 1 103 THR HB . . 6.250 6.149 5.327 6.427 0.177 20 0 "[ . 1 . 2]" 1
1204 1 102 LYS QE 1 106 GLN QB . . 6.570 3.958 1.830 5.168 . 0 0 "[ . 1 . 2]" 1
1205 1 102 LYS QG 1 103 THR H . . 6.380 3.711 2.171 4.522 . 0 0 "[ . 1 . 2]" 1
1206 1 102 LYS QG 1 106 GLN HB2 . . 6.380 4.751 2.008 6.291 . 0 0 "[ . 1 . 2]" 1
1207 1 102 LYS QG 1 106 GLN HB3 . . 6.380 4.152 1.926 5.273 . 0 0 "[ . 1 . 2]" 1
1208 1 102 LYS QG 1 106 GLN QG . . 7.250 4.213 2.389 6.319 . 0 0 "[ . 1 . 2]" 1
1209 1 102 LYS QG 1 107 VAL QG . . 8.070 3.219 2.188 4.357 . 0 0 "[ . 1 . 2]" 1
1210 1 102 LYS QG 1 110 MET ME . . 5.760 3.874 2.493 5.428 . 0 0 "[ . 1 . 2]" 1
1211 1 103 THR H 1 103 THR MG . . 3.950 3.420 2.080 3.854 . 0 0 "[ . 1 . 2]" 1
1212 1 103 THR H 1 106 GLN H . . 4.230 4.002 3.674 4.251 0.021 12 0 "[ . 1 . 2]" 1
1213 1 103 THR H 1 106 GLN HB2 . . 3.670 2.920 2.005 3.733 0.063 20 0 "[ . 1 . 2]" 1
1214 1 103 THR H 1 106 GLN QB . . 3.470 2.461 1.990 3.051 . 0 0 "[ . 1 . 2]" 1
1215 1 103 THR H 1 106 GLN HB3 . . 3.670 3.097 2.118 3.768 0.098 1 0 "[ . 1 . 2]" 1
1216 1 103 THR H 1 106 GLN QG . . 6.380 3.609 2.863 4.606 . 0 0 "[ . 1 . 2]" 1
1217 1 103 THR HA 1 104 LEU H . . 2.990 2.455 2.374 2.540 . 0 0 "[ . 1 . 2]" 1
1218 1 103 THR HA 1 104 LEU QB . . 5.540 4.496 4.191 4.841 . 0 0 "[ . 1 . 2]" 1
1219 1 103 THR HB 1 104 LEU H . . 4.260 3.719 2.576 4.002 . 0 0 "[ . 1 . 2]" 1
1220 1 103 THR HB 1 104 LEU QB . . 6.380 5.583 4.783 6.108 . 0 0 "[ . 1 . 2]" 1
1221 1 103 THR HB 1 105 ASP QB . . 6.380 4.046 3.300 6.012 . 0 0 "[ . 1 . 2]" 1
1222 1 103 THR HB 1 106 GLN HB2 . . 5.500 3.076 2.027 4.847 . 0 0 "[ . 1 . 2]" 1
1223 1 103 THR HB 1 106 GLN HB3 . . 5.500 3.890 2.532 5.636 0.136 14 0 "[ . 1 . 2]" 1
1224 1 103 THR HB 1 106 GLN QG . . 6.380 3.935 1.998 5.904 . 0 0 "[ . 1 . 2]" 1
1225 1 103 THR MG 1 104 LEU H . . 4.820 2.396 1.984 3.676 . 0 0 "[ . 1 . 2]" 1
1226 1 103 THR MG 1 105 ASP H . . 6.530 2.368 1.779 4.428 . 0 0 "[ . 1 . 2]" 1
1227 1 103 THR MG 1 106 GLN H . . 6.530 3.008 1.802 4.342 . 0 0 "[ . 1 . 2]" 1
1228 1 103 THR MG 1 106 GLN QB . . 6.010 3.566 1.956 4.510 . 0 0 "[ . 1 . 2]" 1
1229 1 103 THR MG 1 106 GLN HE21 . . 6.530 4.886 2.689 6.409 . 0 0 "[ . 1 . 2]" 1
1230 1 103 THR MG 1 106 GLN HE22 . . 6.530 5.170 2.259 6.590 0.060 13 0 "[ . 1 . 2]" 1
1231 1 104 LEU H 1 105 ASP H . . 3.760 2.805 2.464 3.128 . 0 0 "[ . 1 . 2]" 1
1232 1 104 LEU HA 1 107 VAL H . . 3.670 3.406 2.977 3.713 0.043 2 0 "[ . 1 . 2]" 1
1233 1 104 LEU HA 1 107 VAL HB . . 3.550 2.932 2.171 3.677 0.127 4 0 "[ . 1 . 2]" 1
1234 1 104 LEU HA 1 107 VAL QG . . 5.580 2.796 1.787 3.286 . 0 0 "[ . 1 . 2]" 1
1235 1 104 LEU QB 1 105 ASP H . . 4.640 3.194 2.406 3.698 . 0 0 "[ . 1 . 2]" 1
1236 1 105 ASP H 1 105 ASP HB2 . . 3.360 2.512 2.359 2.669 . 0 0 "[ . 1 . 2]" 1
1237 1 105 ASP H 1 105 ASP HB3 . . 3.360 2.724 2.449 3.496 0.136 19 0 "[ . 1 . 2]" 1
1238 1 105 ASP H 1 106 GLN H . . 3.580 2.587 2.377 2.791 . 0 0 "[ . 1 . 2]" 1
1239 1 105 ASP H 1 107 VAL QG . . 8.090 4.720 4.035 5.011 . 0 0 "[ . 1 . 2]" 1
1240 1 105 ASP HA 1 108 THR H . . 4.010 3.711 3.356 4.060 0.050 11 0 "[ . 1 . 2]" 1
1241 1 105 ASP HA 1 108 THR MG . . 5.910 3.008 1.989 4.047 . 0 0 "[ . 1 . 2]" 1
1242 1 105 ASP QB 1 106 GLN H . . 3.350 2.477 2.266 2.646 . 0 0 "[ . 1 . 2]" 1
1243 1 105 ASP HB2 1 106 GLN H . . 3.730 3.525 2.296 3.848 0.118 3 0 "[ . 1 . 2]" 1
1244 1 105 ASP HB3 1 106 GLN H . . 3.730 2.725 2.288 3.714 . 0 0 "[ . 1 . 2]" 1
1245 1 106 GLN H 1 106 GLN HB2 . . 3.730 2.409 2.201 2.528 . 0 0 "[ . 1 . 2]" 1
1246 1 106 GLN H 1 106 GLN QB . . 3.370 2.274 2.129 2.472 . 0 0 "[ . 1 . 2]" 1
1247 1 106 GLN H 1 106 GLN HB3 . . 3.730 3.021 2.375 3.680 . 0 0 "[ . 1 . 2]" 1
1248 1 106 GLN H 1 107 VAL H . . 3.580 2.665 2.435 2.852 . 0 0 "[ . 1 . 2]" 1
1249 1 106 GLN HA 1 109 ASP H . . 3.920 3.576 3.006 3.913 . 0 0 "[ . 1 . 2]" 1
1250 1 106 GLN HA 1 109 ASP HB2 . . 3.580 3.443 2.962 3.686 0.106 4 0 "[ . 1 . 2]" 1
1251 1 106 GLN HA 1 109 ASP QB . . 3.300 2.659 2.144 3.048 . 0 0 "[ . 1 . 2]" 1
1252 1 106 GLN HA 1 109 ASP HB3 . . 3.580 2.777 2.197 3.300 . 0 0 "[ . 1 . 2]" 1
1253 1 107 VAL H 1 107 VAL HB . . 3.360 2.532 2.424 2.609 . 0 0 "[ . 1 . 2]" 1
1254 1 107 VAL H 1 107 VAL MG1 . . 4.790 3.483 2.165 3.812 . 0 0 "[ . 1 . 2]" 1
1255 1 107 VAL H 1 107 VAL QG . . 4.230 2.132 2.001 2.397 . 0 0 "[ . 1 . 2]" 1
1256 1 107 VAL H 1 107 VAL MG2 . . 4.790 2.444 2.008 3.837 . 0 0 "[ . 1 . 2]" 1
1257 1 107 VAL H 1 108 THR H . . 3.830 2.750 2.547 2.920 . 0 0 "[ . 1 . 2]" 1
1258 1 107 VAL H 1 109 ASP H . . 4.850 4.061 3.879 4.211 . 0 0 "[ . 1 . 2]" 1
1259 1 107 VAL HA 1 110 MET H . . 3.730 3.472 3.307 3.646 . 0 0 "[ . 1 . 2]" 1
1260 1 107 VAL HA 1 110 MET HB2 . . 4.260 2.992 2.557 4.485 0.225 13 0 "[ . 1 . 2]" 1
1261 1 107 VAL HA 1 110 MET QB . . 3.810 2.782 2.136 3.565 . 0 0 "[ . 1 . 2]" 1
1262 1 107 VAL HA 1 110 MET HB3 . . 4.260 3.961 2.177 4.414 0.154 6 0 "[ . 1 . 2]" 1
1263 1 107 VAL HA 1 110 MET ME . . 4.510 2.733 1.867 4.644 0.134 7 0 "[ . 1 . 2]" 1
1264 1 107 VAL HA 1 110 MET HG2 . . 4.850 4.102 1.823 5.051 0.201 4 0 "[ . 1 . 2]" 1
1265 1 107 VAL HA 1 110 MET HG3 . . 4.850 3.159 2.333 4.533 . 0 0 "[ . 1 . 2]" 1
1266 1 107 VAL HA 1 111 MET H . . 4.260 4.148 3.952 4.305 0.045 3 0 "[ . 1 . 2]" 1
1267 1 107 VAL HA 1 111 MET QG . . 6.380 4.789 4.346 5.243 . 0 0 "[ . 1 . 2]" 1
1268 1 107 VAL HB 1 108 THR H . . 3.640 2.837 2.477 3.781 0.141 11 0 "[ . 1 . 2]" 1
1269 1 107 VAL QG 1 109 ASP H . . 8.090 4.459 4.004 4.668 . 0 0 "[ . 1 . 2]" 1
1270 1 107 VAL QG 1 110 MET H . . 8.090 4.381 4.227 4.517 . 0 0 "[ . 1 . 2]" 1
1271 1 107 VAL QG 1 111 MET QG . . 7.060 3.514 3.042 3.902 . 0 0 "[ . 1 . 2]" 1
1272 1 107 VAL MG1 1 108 THR H . . 5.780 3.117 2.062 3.532 . 0 0 "[ . 1 . 2]" 1
1273 1 107 VAL MG1 1 111 MET HG2 . . 8.930 3.790 3.195 4.458 . 0 0 "[ . 1 . 2]" 1
1274 1 107 VAL MG1 1 111 MET HG3 . . 8.930 5.046 4.097 5.708 . 0 0 "[ . 1 . 2]" 1
1275 1 107 VAL MG2 1 108 THR H . . 5.780 3.838 3.671 4.046 . 0 0 "[ . 1 . 2]" 1
1276 1 107 VAL MG2 1 111 MET HG2 . . 8.930 5.533 3.286 6.334 . 0 0 "[ . 1 . 2]" 1
1277 1 107 VAL MG2 1 111 MET HG3 . . 8.930 6.817 4.094 7.536 . 0 0 "[ . 1 . 2]" 1
1278 1 108 THR H 1 108 THR HB . . 3.700 3.156 2.636 3.659 . 0 0 "[ . 1 . 2]" 1
1279 1 108 THR H 1 109 ASP H . . 3.580 2.622 2.477 2.756 . 0 0 "[ . 1 . 2]" 1
1280 1 108 THR H 1 110 MET H . . 4.880 4.134 3.904 4.280 . 0 0 "[ . 1 . 2]" 1
1281 1 108 THR HA 1 108 THR HB . . 3.020 2.447 2.343 2.549 . 0 0 "[ . 1 . 2]" 1
1282 1 108 THR HA 1 111 MET H . . 4.170 3.319 3.003 3.555 . 0 0 "[ . 1 . 2]" 1
1283 1 108 THR HA 1 111 MET QB . . 5.110 3.740 2.678 4.053 . 0 0 "[ . 1 . 2]" 1
1284 1 108 THR HA 1 111 MET ME . . 6.250 3.363 2.523 4.054 . 0 0 "[ . 1 . 2]" 1
1285 1 108 THR HA 1 112 VAL QG . . 5.580 3.772 3.485 4.103 . 0 0 "[ . 1 . 2]" 1
1286 1 108 THR HB 1 109 ASP H . . 4.070 3.940 3.641 4.136 0.066 11 0 "[ . 1 . 2]" 1
1287 1 108 THR HB 1 111 MET QB . . 5.760 5.654 4.480 5.854 0.094 14 0 "[ . 1 . 2]" 1
1288 1 108 THR HB 1 111 MET ME . . 4.850 4.701 3.873 4.960 0.110 20 0 "[ . 1 . 2]" 1
1289 1 108 THR HB 1 111 MET HG2 . . 5.500 4.119 3.734 4.554 . 0 0 "[ . 1 . 2]" 1
1290 1 108 THR HB 1 111 MET QG . . 5.120 3.810 3.484 4.169 . 0 0 "[ . 1 . 2]" 1
1291 1 108 THR HB 1 111 MET HG3 . . 5.500 4.593 3.682 5.411 . 0 0 "[ . 1 . 2]" 1
1292 1 108 THR MG 1 109 ASP H . . 5.320 3.218 2.269 4.214 . 0 0 "[ . 1 . 2]" 1
1293 1 108 THR MG 1 111 MET ME . . 6.940 4.430 3.188 5.663 . 0 0 "[ . 1 . 2]" 1
1294 1 108 THR MG 1 112 VAL H . . 6.060 5.595 5.251 6.075 0.015 2 0 "[ . 1 . 2]" 1
1295 1 109 ASP H 1 109 ASP HB2 . . 3.330 2.523 2.377 2.589 . 0 0 "[ . 1 . 2]" 1
1296 1 109 ASP H 1 109 ASP HB3 . . 3.330 2.526 2.424 2.662 . 0 0 "[ . 1 . 2]" 1
1297 1 109 ASP H 1 110 MET H . . 3.700 2.568 2.360 2.712 . 0 0 "[ . 1 . 2]" 1
1298 1 109 ASP H 1 110 MET QB . . 5.820 4.513 3.892 4.887 . 0 0 "[ . 1 . 2]" 1
1299 1 109 ASP HA 1 112 VAL H . . 3.700 3.497 3.184 3.683 . 0 0 "[ . 1 . 2]" 1
1300 1 109 ASP HA 1 112 VAL HB . . 3.210 2.792 2.323 3.213 0.003 13 0 "[ . 1 . 2]" 1
1301 1 109 ASP HA 1 112 VAL MG1 . . 5.290 4.182 3.733 4.585 . 0 0 "[ . 1 . 2]" 1
1302 1 109 ASP HA 1 112 VAL QG . . 4.660 3.178 2.581 3.593 . 0 0 "[ . 1 . 2]" 1
1303 1 109 ASP HA 1 112 VAL MG2 . . 5.290 3.302 2.631 3.798 . 0 0 "[ . 1 . 2]" 1
1304 1 109 ASP HA 1 113 ALA H . . 4.170 4.171 3.967 4.242 0.072 6 0 "[ . 1 . 2]" 1
1305 1 109 ASP QB 1 110 MET H . . 3.360 2.385 2.273 2.492 . 0 0 "[ . 1 . 2]" 1
1306 1 109 ASP QB 1 110 MET QB . . 6.320 4.247 3.547 4.626 . 0 0 "[ . 1 . 2]" 1
1307 1 109 ASP QB 1 112 VAL HB . . 6.380 4.778 4.269 5.158 . 0 0 "[ . 1 . 2]" 1
1308 1 109 ASP HB2 1 110 MET H . . 3.670 3.710 3.626 3.757 0.087 15 0 "[ . 1 . 2]" 1
1309 1 109 ASP HB2 1 110 MET HB2 . . 7.250 6.222 5.298 7.152 . 0 0 "[ . 1 . 2]" 1
1310 1 109 ASP HB2 1 110 MET HB3 . . 7.250 6.882 5.559 7.263 0.013 19 0 "[ . 1 . 2]" 1
1311 1 109 ASP HB3 1 110 MET H . . 3.670 2.414 2.295 2.530 . 0 0 "[ . 1 . 2]" 1
1312 1 109 ASP HB3 1 110 MET HB2 . . 7.250 4.762 3.750 5.561 . 0 0 "[ . 1 . 2]" 1
1313 1 109 ASP HB3 1 110 MET HB3 . . 7.250 5.347 3.843 5.778 . 0 0 "[ . 1 . 2]" 1
1314 1 110 MET H 1 110 MET HB2 . . 3.640 2.620 2.174 3.639 . 0 0 "[ . 1 . 2]" 1
1315 1 110 MET H 1 110 MET QB . . 3.440 2.433 1.986 2.656 . 0 0 "[ . 1 . 2]" 1
1316 1 110 MET H 1 110 MET HB3 . . 3.640 3.346 2.101 3.680 0.040 12 0 "[ . 1 . 2]" 1
1317 1 110 MET H 1 110 MET ME . . 5.320 4.315 3.823 5.458 0.138 17 0 "[ . 1 . 2]" 1
1318 1 110 MET H 1 110 MET HG2 . . 4.420 3.376 2.113 4.371 . 0 0 "[ . 1 . 2]" 1
1319 1 110 MET H 1 110 MET QG . . 4.130 2.494 2.085 3.901 . 0 0 "[ . 1 . 2]" 1
1320 1 110 MET H 1 110 MET HG3 . . 4.420 2.725 2.184 4.445 0.025 4 0 "[ . 1 . 2]" 1
1321 1 110 MET H 1 111 MET H . . 3.580 2.741 2.633 2.857 . 0 0 "[ . 1 . 2]" 1
1322 1 110 MET HA 1 110 MET HG2 . . 3.760 2.810 2.470 3.773 0.013 13 0 "[ . 1 . 2]" 1
1323 1 110 MET HA 1 110 MET QG . . 3.520 2.595 2.429 3.350 . 0 0 "[ . 1 . 2]" 1
1324 1 110 MET HA 1 110 MET HG3 . . 3.760 3.233 2.822 3.748 . 0 0 "[ . 1 . 2]" 1
1325 1 110 MET HA 1 112 VAL H . . 3.890 3.986 3.941 4.048 0.158 7 0 "[ . 1 . 2]" 1
1326 1 110 MET QB 1 110 MET ME . . 3.650 2.186 1.931 3.481 . 0 0 "[ . 1 . 2]" 1
1327 1 110 MET QB 1 111 MET H . . 3.730 2.500 2.141 3.559 . 0 0 "[ . 1 . 2]" 1
1328 1 110 MET QB 1 118 LEU QD . . 7.830 5.195 4.561 6.442 . 0 0 "[ . 1 . 2]" 1
1329 1 110 MET HB2 1 110 MET ME . . 4.050 2.523 1.966 3.877 . 0 0 "[ . 1 . 2]" 1
1330 1 110 MET HB2 1 111 MET H . . 3.980 2.775 2.262 4.014 0.034 13 0 "[ . 1 . 2]" 1
1331 1 110 MET HB2 1 118 LEU MD1 . . 9.670 7.421 6.397 9.069 . 0 0 "[ . 1 . 2]" 1
1332 1 110 MET HB2 1 118 LEU MD2 . . 9.670 6.495 5.147 9.516 . 0 0 "[ . 1 . 2]" 1
1333 1 110 MET HB3 1 110 MET ME . . 4.050 2.539 1.981 4.024 . 0 0 "[ . 1 . 2]" 1
1334 1 110 MET HB3 1 111 MET H . . 3.980 3.376 2.161 4.003 0.023 18 0 "[ . 1 . 2]" 1
1335 1 110 MET HB3 1 118 LEU MD1 . . 9.670 7.521 6.334 9.471 . 0 0 "[ . 1 . 2]" 1
1336 1 110 MET HB3 1 118 LEU MD2 . . 9.670 6.446 5.226 9.276 . 0 0 "[ . 1 . 2]" 1
1337 1 110 MET ME 1 111 MET H . . 6.530 4.168 2.893 5.565 . 0 0 "[ . 1 . 2]" 1
1338 1 110 MET HG2 1 111 MET H . . 5.500 4.536 2.603 5.017 . 0 0 "[ . 1 . 2]" 1
1339 1 110 MET HG3 1 111 MET H . . 5.500 4.053 2.145 4.709 . 0 0 "[ . 1 . 2]" 1
1340 1 111 MET H 1 111 MET HB2 . . 4.040 3.609 2.586 3.712 . 0 0 "[ . 1 . 2]" 1
1341 1 111 MET H 1 111 MET QB . . 3.800 2.625 2.465 2.759 . 0 0 "[ . 1 . 2]" 1
1342 1 111 MET H 1 111 MET HB3 . . 4.040 2.742 2.510 3.635 . 0 0 "[ . 1 . 2]" 1
1343 1 111 MET H 1 111 MET ME . . 5.780 4.101 3.698 4.789 . 0 0 "[ . 1 . 2]" 1
1344 1 111 MET H 1 111 MET HG2 . . 4.290 2.217 1.910 3.268 . 0 0 "[ . 1 . 2]" 1
1345 1 111 MET H 1 111 MET QG . . 4.030 2.132 1.898 2.294 . 0 0 "[ . 1 . 2]" 1
1346 1 111 MET H 1 111 MET HG3 . . 4.290 3.233 2.155 3.676 . 0 0 "[ . 1 . 2]" 1
1347 1 111 MET H 1 112 VAL H . . 3.580 2.552 2.447 2.638 . 0 0 "[ . 1 . 2]" 1
1348 1 111 MET H 1 112 VAL QG . . 8.090 4.017 3.899 4.192 . 0 0 "[ . 1 . 2]" 1
1349 1 111 MET HA 1 114 ASN H . . 4.660 3.502 3.120 4.068 . 0 0 "[ . 1 . 2]" 1
1350 1 111 MET HA 1 114 ASN HB2 . . 4.420 3.367 2.420 4.447 0.027 11 0 "[ . 1 . 2]" 1
1351 1 111 MET HA 1 114 ASN HB3 . . 4.420 3.903 3.024 4.444 0.024 10 0 "[ . 1 . 2]" 1
1352 1 111 MET HA 1 118 LEU QD . . 5.770 2.758 2.118 4.378 . 0 0 "[ . 1 . 2]" 1
1353 1 111 MET QB 1 112 VAL H . . 3.990 3.692 2.801 3.832 . 0 0 "[ . 1 . 2]" 1
1354 1 111 MET QB 1 112 VAL QG . . 7.120 4.004 2.888 4.318 . 0 0 "[ . 1 . 2]" 1
1355 1 111 MET QB 1 118 LEU QD . . 6.680 2.027 1.765 2.984 . 0 0 "[ . 1 . 2]" 1
1356 1 111 MET QB 1 118 LEU HG . . 5.230 3.248 1.818 4.426 . 0 0 "[ . 1 . 2]" 1
1357 1 111 MET HB2 1 112 VAL H . . 4.320 4.084 2.873 4.287 . 0 0 "[ . 1 . 2]" 1
1358 1 111 MET HB2 1 112 VAL MG1 . . 8.840 6.199 5.348 6.462 . 0 0 "[ . 1 . 2]" 1
1359 1 111 MET HB2 1 112 VAL MG2 . . 8.840 4.372 2.983 4.776 . 0 0 "[ . 1 . 2]" 1
1360 1 111 MET HB3 1 112 VAL H . . 4.320 4.235 3.877 4.364 0.044 14 0 "[ . 1 . 2]" 1
1361 1 111 MET HB3 1 112 VAL MG1 . . 8.840 6.895 5.889 7.095 . 0 0 "[ . 1 . 2]" 1
1362 1 111 MET HB3 1 112 VAL MG2 . . 8.840 4.924 4.012 5.304 . 0 0 "[ . 1 . 2]" 1
1363 1 111 MET ME 1 118 LEU QD . . 7.610 2.755 1.932 3.427 . 0 0 "[ . 1 . 2]" 1
1364 1 111 MET ME 1 119 ILE H . . 6.530 5.819 4.268 6.563 0.033 13 0 "[ . 1 . 2]" 1
1365 1 111 MET ME 1 120 ILE HB . . 3.550 3.528 2.789 3.758 0.208 19 0 "[ . 1 . 2]" 1
1366 1 111 MET ME 1 120 ILE MD . . 6.970 2.878 2.286 4.171 . 0 0 "[ . 1 . 2]" 1
1367 1 111 MET ME 1 121 THR H . . 6.400 5.833 4.894 6.436 0.036 6 0 "[ . 1 . 2]" 1
1368 1 111 MET QG 1 112 VAL H . . 6.380 2.820 2.567 4.123 . 0 0 "[ . 1 . 2]" 1
1369 1 111 MET QG 1 118 LEU QD . . 7.110 3.378 2.706 3.799 . 0 0 "[ . 1 . 2]" 1
1370 1 111 MET HG2 1 118 LEU MD1 . . 8.950 5.190 4.151 6.101 . 0 0 "[ . 1 . 2]" 1
1371 1 111 MET HG2 1 118 LEU MD2 . . 8.950 4.586 3.769 6.752 . 0 0 "[ . 1 . 2]" 1
1372 1 111 MET HG3 1 118 LEU MD1 . . 8.950 4.549 3.161 5.614 . 0 0 "[ . 1 . 2]" 1
1373 1 111 MET HG3 1 118 LEU MD2 . . 8.950 3.993 2.873 6.711 . 0 0 "[ . 1 . 2]" 1
1374 1 112 VAL H 1 112 VAL HB . . 2.900 2.553 2.498 2.594 . 0 0 "[ . 1 . 2]" 1
1375 1 112 VAL H 1 112 VAL MG1 . . 4.300 3.833 3.809 3.864 . 0 0 "[ . 1 . 2]" 1
1376 1 112 VAL H 1 112 VAL QG . . 3.760 2.505 2.390 2.714 . 0 0 "[ . 1 . 2]" 1
1377 1 112 VAL H 1 112 VAL MG2 . . 4.300 2.540 2.415 2.775 . 0 0 "[ . 1 . 2]" 1
1378 1 112 VAL H 1 113 ALA MB . . 6.530 3.951 3.804 4.111 . 0 0 "[ . 1 . 2]" 1
1379 1 112 VAL HA 1 115 SER H . . 4.420 3.380 3.078 3.743 . 0 0 "[ . 1 . 2]" 1
1380 1 112 VAL HA 1 115 SER HA . . 3.670 3.700 3.282 3.821 0.151 17 0 "[ . 1 . 2]" 1
1381 1 112 VAL HB 1 113 ALA H . . 3.390 2.906 2.749 3.079 . 0 0 "[ . 1 . 2]" 1
1382 1 112 VAL QG 1 113 ALA H . . 5.830 3.320 3.214 3.411 . 0 0 "[ . 1 . 2]" 1
1383 1 112 VAL MG1 1 113 ALA H . . 6.250 3.562 3.391 3.746 . 0 0 "[ . 1 . 2]" 1
1384 1 112 VAL MG2 1 113 ALA H . . 6.250 3.974 3.873 4.095 . 0 0 "[ . 1 . 2]" 1
1385 1 113 ALA H 1 114 ASN H . . 3.860 2.568 2.422 2.662 . 0 0 "[ . 1 . 2]" 1
1386 1 113 ALA H 1 115 SER H . . 4.790 4.313 3.911 4.817 0.027 4 0 "[ . 1 . 2]" 1
1387 1 113 ALA MB 1 114 ASN HD21 . . 5.230 3.804 2.522 4.486 . 0 0 "[ . 1 . 2]" 1
1388 1 113 ALA MB 1 114 ASN QD . . 5.000 3.569 2.391 4.143 . 0 0 "[ . 1 . 2]" 1
1389 1 113 ALA MB 1 114 ASN HD22 . . 5.230 4.550 2.967 5.548 0.318 7 0 "[ . 1 . 2]" 1
1390 1 113 ALA MB 1 115 SER H . . 6.530 4.559 4.289 5.082 . 0 0 "[ . 1 . 2]" 1
1391 1 114 ASN H 1 114 ASN HB2 . . 3.490 2.482 2.302 2.810 . 0 0 "[ . 1 . 2]" 1
1392 1 114 ASN H 1 114 ASN HB3 . . 3.490 3.209 2.707 3.639 0.149 14 0 "[ . 1 . 2]" 1
1393 1 114 ASN H 1 115 SER H . . 3.390 2.528 2.269 2.919 . 0 0 "[ . 1 . 2]" 1
1394 1 114 ASN H 1 118 LEU QD . . 7.320 4.250 3.554 5.226 . 0 0 "[ . 1 . 2]" 1
1395 1 114 ASN QB 1 118 LEU HA . . 4.920 3.567 2.979 4.220 . 0 0 "[ . 1 . 2]" 1
1396 1 114 ASN QB 1 118 LEU QD . . 6.730 3.236 2.100 4.449 . 0 0 "[ . 1 . 2]" 1
1397 1 114 ASN QB 1 119 ILE H . . 6.380 4.661 4.096 5.423 . 0 0 "[ . 1 . 2]" 1
1398 1 114 ASN HB2 1 115 SER H . . 4.790 3.880 2.110 4.415 . 0 0 "[ . 1 . 2]" 1
1399 1 114 ASN HB2 1 118 LEU MD1 . . 8.610 5.835 3.480 7.629 . 0 0 "[ . 1 . 2]" 1
1400 1 114 ASN HB2 1 118 LEU MD2 . . 8.610 4.418 2.174 6.996 . 0 0 "[ . 1 . 2]" 1
1401 1 114 ASN HB3 1 115 SER H . . 4.790 3.710 1.790 4.421 . 0 0 "[ . 1 . 2]" 1
1402 1 114 ASN HB3 1 118 LEU MD1 . . 8.610 5.360 3.552 6.361 . 0 0 "[ . 1 . 2]" 1
1403 1 114 ASN HB3 1 118 LEU MD2 . . 8.610 4.021 2.251 5.876 . 0 0 "[ . 1 . 2]" 1
1404 1 114 ASN QD 1 115 SER H . . 6.370 5.225 4.087 5.856 . 0 0 "[ . 1 . 2]" 1
1405 1 115 SER H 1 116 SER H . . 3.830 2.969 2.640 3.586 . 0 0 "[ . 1 . 2]" 1
1406 1 115 SER H 1 118 LEU MD1 . . 6.530 5.689 2.462 6.663 0.133 16 0 "[ . 1 . 2]" 1
1407 1 115 SER H 1 118 LEU MD2 . . 6.530 4.245 2.423 5.260 . 0 0 "[ . 1 . 2]" 1
1408 1 115 SER HA 1 118 LEU HB2 . . 3.890 2.430 1.787 3.884 . 0 0 "[ . 1 . 2]" 1
1409 1 115 SER HA 1 118 LEU QB . . 3.570 2.174 1.761 2.873 . 0 0 "[ . 1 . 2]" 1
1410 1 115 SER HA 1 118 LEU HB3 . . 3.890 3.363 1.897 3.955 0.065 7 0 "[ . 1 . 2]" 1
1411 1 115 SER HA 1 118 LEU HG . . 4.040 3.657 3.242 4.236 0.196 4 0 "[ . 1 . 2]" 1
1412 1 116 SER H 1 117 ASN H . . 3.110 2.802 2.307 3.115 0.005 3 0 "[ . 1 . 2]" 1
1413 1 117 ASN H 1 118 LEU H . . 3.670 3.437 2.523 3.713 0.043 2 0 "[ . 1 . 2]" 1
1414 1 117 ASN H 1 118 LEU QB . . 5.330 4.148 3.266 4.528 . 0 0 "[ . 1 . 2]" 1
1415 1 117 ASN HA 1 119 ILE MD . . 5.850 4.576 2.952 5.774 . 0 0 "[ . 1 . 2]" 1
1416 1 117 ASN QD 1 119 ILE MD . . 6.050 3.508 1.969 5.252 . 0 0 "[ . 1 . 2]" 1
1417 1 117 ASN HD21 1 119 ILE MD . . 6.530 4.218 2.579 5.555 . 0 0 "[ . 1 . 2]" 1
1418 1 117 ASN HD22 1 119 ILE MD . . 6.530 4.083 2.043 6.561 0.031 11 0 "[ . 1 . 2]" 1
1419 1 118 LEU H 1 118 LEU HB2 . . 3.610 2.875 2.459 3.700 0.090 19 0 "[ . 1 . 2]" 1
1420 1 118 LEU H 1 118 LEU HB3 . . 3.610 2.510 2.302 2.947 . 0 0 "[ . 1 . 2]" 1
1421 1 118 LEU H 1 118 LEU HG . . 4.790 4.331 2.215 4.792 0.002 7 0 "[ . 1 . 2]" 1
1422 1 118 LEU HA 1 119 ILE H . . 3.490 2.034 1.949 2.101 . 0 0 "[ . 1 . 2]" 1
1423 1 118 LEU HA 1 119 ILE HB . . 4.420 4.441 4.333 4.486 0.066 15 0 "[ . 1 . 2]" 1
1424 1 118 LEU QB 1 118 LEU HG . . 2.620 2.232 2.141 2.440 . 0 0 "[ . 1 . 2]" 1
1425 1 118 LEU QD 1 119 ILE H . . 6.020 2.444 1.960 4.333 . 0 0 "[ . 1 . 2]" 1
1426 1 118 LEU QD 1 119 ILE HA . . 7.510 3.218 2.691 4.771 . 0 0 "[ . 1 . 2]" 1
1427 1 118 LEU HG 1 119 ILE H . . 4.540 4.448 3.599 4.670 0.130 11 0 "[ . 1 . 2]" 1
1428 1 119 ILE H 1 119 ILE HB . . 3.450 2.626 2.538 2.729 . 0 0 "[ . 1 . 2]" 1
1429 1 119 ILE H 1 119 ILE MD . . 5.010 3.489 2.461 4.175 . 0 0 "[ . 1 . 2]" 1
1430 1 119 ILE HA 1 119 ILE MD . . 4.640 3.545 2.945 3.895 . 0 0 "[ . 1 . 2]" 1
1431 1 119 ILE HA 1 120 ILE H . . 3.300 2.199 2.093 2.277 . 0 0 "[ . 1 . 2]" 1
1432 1 119 ILE HB 1 119 ILE MD . . 3.430 2.437 2.362 2.500 . 0 0 "[ . 1 . 2]" 1
1433 1 119 ILE MD 1 120 ILE H . . 6.530 5.074 4.725 5.389 . 0 0 "[ . 1 . 2]" 1
1434 1 119 ILE MG 1 120 ILE H . . 5.130 2.779 2.505 3.030 . 0 0 "[ . 1 . 2]" 1
1435 1 120 ILE H 1 120 ILE HB . . 3.550 3.168 2.351 3.689 0.139 11 0 "[ . 1 . 2]" 1
1436 1 120 ILE H 1 120 ILE HG12 . . 5.160 4.388 2.114 5.002 . 0 0 "[ . 1 . 2]" 1
1437 1 120 ILE H 1 120 ILE QG . . 4.990 3.860 2.071 4.190 . 0 0 "[ . 1 . 2]" 1
1438 1 120 ILE H 1 120 ILE HG13 . . 5.160 4.397 2.924 4.817 . 0 0 "[ . 1 . 2]" 1
1439 1 120 ILE HA 1 121 THR H . . 2.960 2.029 1.905 2.213 . 0 0 "[ . 1 . 2]" 1
1440 1 120 ILE HB 1 121 THR H . . 3.700 3.838 3.370 3.955 0.255 19 0 "[ . 1 . 2]" 1
1441 1 120 ILE MG 1 121 THR HA . . 6.530 4.496 3.673 5.632 . 0 0 "[ . 1 . 2]" 1
1442 1 121 THR H 1 121 THR HB . . 3.670 2.690 2.571 2.806 . 0 0 "[ . 1 . 2]" 1
1443 1 121 THR HA 1 122 VAL H . . 3.180 2.132 2.065 2.198 . 0 0 "[ . 1 . 2]" 1
1444 1 121 THR HA 1 122 VAL QG . . 7.250 3.311 3.165 3.459 . 0 0 "[ . 1 . 2]" 1
1445 1 121 THR MG 1 122 VAL H . . 4.950 2.803 2.651 2.912 . 0 0 "[ . 1 . 2]" 1
1446 1 122 VAL HA 1 123 LYS H . . 3.330 2.229 2.068 2.376 . 0 0 "[ . 1 . 2]" 1
1447 1 122 VAL HB 1 123 LYS H . . 3.330 2.702 2.287 3.452 0.122 18 0 "[ . 1 . 2]" 1
1448 1 122 VAL QG 1 123 LYS H . . 5.580 3.184 2.188 3.364 . 0 0 "[ . 1 . 2]" 1
1449 1 122 VAL QG 1 124 PRO HA . . 7.220 5.161 4.077 5.938 . 0 0 "[ . 1 . 2]" 1
1450 1 122 VAL QG 1 124 PRO QD . . 7.200 4.085 3.486 4.625 . 0 0 "[ . 1 . 2]" 1
1451 1 122 VAL MG1 1 123 LYS H . . 6.530 3.584 3.396 4.075 . 0 0 "[ . 1 . 2]" 1
1452 1 122 VAL MG1 1 124 PRO HD2 . . 8.900 7.080 6.414 7.461 . 0 0 "[ . 1 . 2]" 1
1453 1 122 VAL MG1 1 124 PRO HD3 . . 8.900 6.255 5.715 6.656 . 0 0 "[ . 1 . 2]" 1
1454 1 122 VAL MG2 1 123 LYS H . . 6.530 3.669 2.197 4.037 . 0 0 "[ . 1 . 2]" 1
1455 1 122 VAL MG2 1 124 PRO HD2 . . 8.900 5.499 4.834 6.151 . 0 0 "[ . 1 . 2]" 1
1456 1 122 VAL MG2 1 124 PRO HD3 . . 8.900 4.341 3.587 4.997 . 0 0 "[ . 1 . 2]" 1
1457 1 123 LYS H 1 123 LYS HB2 . . 3.860 3.009 2.512 3.362 . 0 0 "[ . 1 . 2]" 1
1458 1 123 LYS H 1 123 LYS QB . . 3.620 2.525 2.434 2.686 . 0 0 "[ . 1 . 2]" 1
1459 1 123 LYS H 1 123 LYS HB3 . . 3.860 2.921 2.511 3.826 . 0 0 "[ . 1 . 2]" 1
1460 1 123 LYS H 1 123 LYS QE . . 6.380 5.122 4.013 6.157 . 0 0 "[ . 1 . 2]" 1
1461 1 123 LYS H 1 123 LYS HG2 . . 5.500 4.426 4.048 4.741 . 0 0 "[ . 1 . 2]" 1
1462 1 123 LYS H 1 123 LYS HG3 . . 5.500 4.453 3.033 5.038 . 0 0 "[ . 1 . 2]" 1
1463 1 123 LYS HA 1 124 PRO HD2 . . 3.640 2.251 1.969 2.690 . 0 0 "[ . 1 . 2]" 1
1464 1 123 LYS HA 1 124 PRO HD3 . . 3.640 2.286 1.939 2.619 . 0 0 "[ . 1 . 2]" 1
1465 1 123 LYS HA 1 124 PRO QG . . 5.710 3.858 3.766 3.943 . 0 0 "[ . 1 . 2]" 1
1466 1 123 LYS QB 1 124 PRO QD . . 6.000 3.290 2.452 3.666 . 0 0 "[ . 1 . 2]" 1
1467 1 123 LYS HB2 1 124 PRO HD2 . . 6.970 4.074 3.625 4.646 . 0 0 "[ . 1 . 2]" 1
1468 1 123 LYS HB2 1 124 PRO HD3 . . 6.970 4.745 4.142 5.127 . 0 0 "[ . 1 . 2]" 1
1469 1 123 LYS HB3 1 124 PRO HD2 . . 6.970 3.964 2.525 4.770 . 0 0 "[ . 1 . 2]" 1
1470 1 123 LYS HB3 1 124 PRO HD3 . . 6.970 4.748 3.674 5.273 . 0 0 "[ . 1 . 2]" 1
1471 1 124 PRO HA 1 125 ALA H . . 3.180 2.090 2.024 2.157 . 0 0 "[ . 1 . 2]" 1
1472 1 124 PRO QB 1 125 ALA H . . 3.810 3.267 3.183 3.368 . 0 0 "[ . 1 . 2]" 1
1473 1 124 PRO QB 1 126 ASN H . . 4.060 2.876 2.288 3.630 . 0 0 "[ . 1 . 2]" 1
1474 1 124 PRO QB 1 126 ASN QD . . 5.470 2.421 1.767 3.687 . 0 0 "[ . 1 . 2]" 1
1475 1 124 PRO HB2 1 125 ALA H . . 4.170 3.674 3.446 4.041 . 0 0 "[ . 1 . 2]" 1
1476 1 124 PRO HB2 1 126 ASN H . . 4.260 3.113 2.316 3.897 . 0 0 "[ . 1 . 2]" 1
1477 1 124 PRO HB3 1 125 ALA H . . 4.170 3.722 3.422 4.013 . 0 0 "[ . 1 . 2]" 1
1478 1 124 PRO HB3 1 126 ASN H . . 4.260 3.620 2.811 4.331 0.071 14 0 "[ . 1 . 2]" 1
1479 1 124 PRO QD 1 126 ASN QD . . 6.310 4.841 4.340 5.187 . 0 0 "[ . 1 . 2]" 1
1480 1 124 PRO HD2 1 126 ASN HD21 . . 7.230 6.154 5.435 7.223 . 0 0 "[ . 1 . 2]" 1
1481 1 124 PRO HD2 1 126 ASN HD22 . . 7.230 6.283 4.771 7.288 0.058 3 0 "[ . 1 . 2]" 1
1482 1 124 PRO HD3 1 126 ASN HD21 . . 7.230 6.295 5.013 7.292 0.062 6 0 "[ . 1 . 2]" 1
1483 1 124 PRO HD3 1 126 ASN HD22 . . 7.230 6.318 5.341 7.263 0.033 12 0 "[ . 1 . 2]" 1
1484 1 125 ALA H 1 126 ASN H . . 4.070 2.137 1.677 2.521 . 0 0 "[ . 1 . 2]" 1
1485 1 125 ALA HA 1 126 ASN H . . 2.990 3.106 2.936 3.250 0.260 14 0 "[ . 1 . 2]" 1
1486 1 125 ALA MB 1 126 ASN H . . 4.360 3.072 2.458 3.477 . 0 0 "[ . 1 . 2]" 1
1487 1 125 ALA MB 1 126 ASN QB . . 7.250 4.564 4.053 5.077 . 0 0 "[ . 1 . 2]" 1
1488 1 125 ALA MB 1 127 GLN H . . 4.920 4.025 2.462 4.952 0.032 12 0 "[ . 1 . 2]" 1
1489 1 126 ASN H 1 127 GLN H . . 3.580 3.141 2.257 3.782 0.202 17 0 "[ . 1 . 2]" 1
1490 1 126 ASN HA 1 127 GLN H . . 3.180 2.560 2.066 3.296 0.116 4 0 "[ . 1 . 2]" 1
1491 1 127 GLN H 1 127 GLN HB2 . . 3.420 2.896 2.317 3.548 0.128 1 0 "[ . 1 . 2]" 1
1492 1 127 GLN H 1 127 GLN QB . . 3.100 2.408 2.222 2.691 . 0 0 "[ . 1 . 2]" 1
1493 1 127 GLN H 1 127 GLN HB3 . . 3.420 2.775 2.355 3.580 0.160 5 0 "[ . 1 . 2]" 1
1494 1 127 GLN HA 1 128 ARG H . . 2.710 2.132 1.856 2.745 0.035 7 0 "[ . 1 . 2]" 1
1495 1 127 GLN QB 1 128 ARG H . . 3.840 3.395 2.555 3.721 . 0 0 "[ . 1 . 2]" 1
1496 1 127 GLN HB2 1 128 ARG H . . 4.070 3.864 2.597 4.195 0.125 15 0 "[ . 1 . 2]" 1
1497 1 127 GLN HB3 1 128 ARG H . . 4.070 3.926 2.774 4.185 0.115 7 0 "[ . 1 . 2]" 1
1498 1 127 GLN QG 1 128 ARG H . . 6.380 3.450 2.477 4.674 . 0 0 "[ . 1 . 2]" 1
1499 1 128 ARG H 1 128 ARG HB2 . . 3.700 3.130 2.519 3.813 0.113 11 0 "[ . 1 . 2]" 1
1500 1 128 ARG H 1 128 ARG HB3 . . 3.700 3.067 2.425 3.796 0.096 8 0 "[ . 1 . 2]" 1
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