NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440917 |
2k9s   |
16001 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k9s
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 1468
_Distance_constraint_stats_list.Viol_count 890
_Distance_constraint_stats_list.Viol_total 579.589
_Distance_constraint_stats_list.Viol_max 0.236
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0326
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 0.173 0.072 7 0 "[ . 1 . 2]"
1 3 ASN 0.010 0.008 13 0 "[ . 1 . 2]"
1 4 ARG 0.428 0.236 20 0 "[ . 1 . 2]"
1 5 VAL 0.442 0.072 7 0 "[ . 1 . 2]"
1 6 ARG 0.060 0.029 19 0 "[ . 1 . 2]"
1 7 GLU 0.062 0.012 14 0 "[ . 1 . 2]"
1 8 ALA 0.077 0.019 16 0 "[ . 1 . 2]"
1 9 CYS 0.174 0.063 14 0 "[ . 1 . 2]"
1 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TYR 0.213 0.019 16 0 "[ . 1 . 2]"
1 12 ILE 0.166 0.032 2 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.017 0.013 6 0 "[ . 1 . 2]"
1 15 HIS 0.008 0.006 10 0 "[ . 1 . 2]"
1 16 LEU 0.107 0.015 9 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASP 0.001 0.001 7 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.006 0.004 8 0 "[ . 1 . 2]"
1 21 PHE 1.253 0.138 20 0 "[ . 1 . 2]"
1 22 ASP 1.172 0.138 20 0 "[ . 1 . 2]"
1 23 ILE 0.179 0.016 20 0 "[ . 1 . 2]"
1 24 ALA 0.010 0.005 16 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.630 0.054 16 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 0.005 0.005 19 0 "[ . 1 . 2]"
1 29 HIS 0.435 0.025 16 0 "[ . 1 . 2]"
1 30 VAL 0.499 0.036 20 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.333 0.091 13 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PRO 0.012 0.005 16 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.162 0.118 14 0 "[ . 1 . 2]"
1 37 LEU 1.974 0.136 9 0 "[ . 1 . 2]"
1 38 SER 0.072 0.046 18 0 "[ . 1 . 2]"
1 39 HIS 0.060 0.060 13 0 "[ . 1 . 2]"
1 40 LEU 2.376 0.157 9 0 "[ . 1 . 2]"
1 41 PHE 7.950 0.229 11 0 "[ . 1 . 2]"
1 42 ARG 0.649 0.088 19 0 "[ . 1 . 2]"
1 43 GLN 0.100 0.052 17 0 "[ . 1 . 2]"
1 44 GLN 0.345 0.060 13 0 "[ . 1 . 2]"
1 45 LEU 2.206 0.229 11 0 "[ . 1 . 2]"
1 46 GLY 0.106 0.105 17 0 "[ . 1 . 2]"
1 47 ILE 2.880 0.161 10 0 "[ . 1 . 2]"
1 48 SER 0.717 0.080 20 0 "[ . 1 . 2]"
1 49 VAL 1.397 0.080 20 0 "[ . 1 . 2]"
1 50 LEU 0.012 0.005 20 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 TRP 3.012 0.119 18 0 "[ . 1 . 2]"
1 53 ARG 0.061 0.018 20 0 "[ . 1 . 2]"
1 54 GLU 0.040 0.024 20 0 "[ . 1 . 2]"
1 55 ASP 0.262 0.040 18 0 "[ . 1 . 2]"
1 56 GLN 0.344 0.152 4 0 "[ . 1 . 2]"
1 57 ARG 0.522 0.152 4 0 "[ . 1 . 2]"
1 58 ILE 0.075 0.030 18 0 "[ . 1 . 2]"
1 59 SER 0.013 0.011 20 0 "[ . 1 . 2]"
1 60 GLN 0.093 0.013 16 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.240 0.056 20 0 "[ . 1 . 2]"
1 63 LEU 0.064 0.056 20 0 "[ . 1 . 2]"
1 64 LEU 3.401 0.193 8 0 "[ . 1 . 2]"
1 65 LEU 0.383 0.059 6 0 "[ . 1 . 2]"
1 66 SER 1.263 0.193 8 0 "[ . 1 . 2]"
1 67 THR 1.231 0.191 12 0 "[ . 1 . 2]"
1 68 THR 0.843 0.068 8 0 "[ . 1 . 2]"
1 69 ARG 0.005 0.005 10 0 "[ . 1 . 2]"
1 70 MET 2.266 0.124 6 0 "[ . 1 . 2]"
1 71 PRO 2.111 0.124 6 0 "[ . 1 . 2]"
1 72 ILE 0.139 0.011 11 0 "[ . 1 . 2]"
1 73 ALA 0.007 0.007 20 0 "[ . 1 . 2]"
1 74 THR 0.111 0.019 20 0 "[ . 1 . 2]"
1 75 VAL 0.438 0.036 1 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.457 0.134 9 0 "[ . 1 . 2]"
1 78 ASN 0.271 0.074 16 0 "[ . 1 . 2]"
1 79 VAL 0.345 0.074 16 0 "[ . 1 . 2]"
1 80 GLY 0.014 0.009 12 0 "[ . 1 . 2]"
1 81 PHE 0.434 0.055 2 0 "[ . 1 . 2]"
1 82 ASP 0.349 0.134 9 0 "[ . 1 . 2]"
1 83 ASP 0.044 0.025 17 0 "[ . 1 . 2]"
1 84 GLN 0.040 0.016 16 0 "[ . 1 . 2]"
1 85 LEU 0.063 0.027 16 0 "[ . 1 . 2]"
1 86 TYR 0.696 0.086 2 0 "[ . 1 . 2]"
1 87 PHE 0.082 0.017 12 0 "[ . 1 . 2]"
1 88 SER 0.984 0.077 5 0 "[ . 1 . 2]"
1 89 ARG 0.089 0.041 1 0 "[ . 1 . 2]"
1 90 VAL 0.529 0.086 2 0 "[ . 1 . 2]"
1 91 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 1.633 0.111 20 0 "[ . 1 . 2]"
1 93 LYS 0.319 0.072 1 0 "[ . 1 . 2]"
1 94 CYS 0.066 0.026 17 0 "[ . 1 . 2]"
1 95 THR 0.124 0.047 18 0 "[ . 1 . 2]"
1 96 GLY 1.501 0.111 20 0 "[ . 1 . 2]"
1 97 ALA 0.192 0.047 18 0 "[ . 1 . 2]"
1 98 SER 1.123 0.148 18 0 "[ . 1 . 2]"
1 99 PRO 1.351 0.083 5 0 "[ . 1 . 2]"
1 100 SER 1.212 0.083 5 0 "[ . 1 . 2]"
1 101 GLU 0.526 0.234 18 0 "[ . 1 . 2]"
1 102 PHE 0.248 0.234 18 0 "[ . 1 . 2]"
1 103 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 CYS 0.001 0.001 2 0 "[ . 1 . 2]"
1 107 GLU 0.001 0.001 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET ME . . 4.490 3.870 2.864 4.203 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET QG . . 3.570 2.429 2.036 3.430 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET ME 1 1 MET HG2 . . 3.650 2.809 2.306 3.373 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET ME 1 1 MET HG3 . . 3.650 2.398 2.028 3.373 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET ME 1 5 VAL QG . . 3.700 2.662 1.894 3.264 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET ME 1 6 ARG HA . . 4.780 3.663 2.813 4.495 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 6 ARG QD . . 5.160 3.856 2.918 4.572 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 45 LEU HA . . 5.460 3.669 2.483 4.778 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 45 LEU MD1 . . 3.900 2.599 1.825 3.385 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET ME 1 45 LEU MD2 . . 3.900 2.857 1.911 3.607 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET ME 1 45 LEU HG . . 4.550 2.845 1.917 4.203 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET QG 1 5 VAL HB . . 5.340 3.287 2.289 4.337 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET QG 1 5 VAL QG . . 4.090 2.787 2.068 3.557 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET QG 1 6 ARG H . . 4.660 3.549 2.707 4.029 . 0 0 "[ . 1 . 2]" 1
15 1 1 MET QG 1 6 ARG QB . . 4.030 3.040 2.403 3.873 . 0 0 "[ . 1 . 2]" 1
16 1 1 MET QG 1 6 ARG QD . . 4.790 2.413 1.917 3.410 . 0 0 "[ . 1 . 2]" 1
17 1 1 MET HG2 1 6 ARG H . . 5.330 4.072 3.293 5.187 . 0 0 "[ . 1 . 2]" 1
18 1 1 MET HG3 1 6 ARG H . . 5.330 4.223 2.778 5.094 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP QB 1 5 VAL H . . 4.160 2.394 2.028 3.499 . 0 0 "[ . 1 . 2]" 1
20 1 2 ASP QB 1 5 VAL HB . . 4.380 3.233 2.541 4.402 0.022 19 0 "[ . 1 . 2]" 1
21 1 2 ASP QB 1 5 VAL QG . . 3.680 2.163 1.811 3.752 0.072 7 0 "[ . 1 . 2]" 1
22 1 2 ASP QB 1 40 LEU QD . . 4.330 3.698 2.365 4.333 0.003 7 0 "[ . 1 . 2]" 1
23 1 2 ASP QB 1 44 GLN QB . . 5.110 3.908 2.973 5.118 0.008 15 0 "[ . 1 . 2]" 1
24 1 2 ASP QB 1 44 GLN QE . . 3.990 2.980 1.914 4.009 0.019 13 0 "[ . 1 . 2]" 1
25 1 2 ASP QB 1 44 GLN QG . . 4.380 2.630 1.951 4.038 . 0 0 "[ . 1 . 2]" 1
26 1 3 ASN HA 1 6 ARG H . . 4.060 3.541 3.276 3.714 . 0 0 "[ . 1 . 2]" 1
27 1 3 ASN HA 1 6 ARG HB2 . . 3.860 2.948 2.434 3.418 . 0 0 "[ . 1 . 2]" 1
28 1 3 ASN HA 1 6 ARG QB . . 3.270 2.661 2.351 3.203 . 0 0 "[ . 1 . 2]" 1
29 1 3 ASN HA 1 6 ARG HB3 . . 3.860 3.180 2.613 3.868 0.008 13 0 "[ . 1 . 2]" 1
30 1 3 ASN HA 1 6 ARG QD . . 4.360 3.748 2.690 4.362 0.002 9 0 "[ . 1 . 2]" 1
31 1 3 ASN HA 1 7 GLU H . . 4.970 4.400 4.024 4.803 . 0 0 "[ . 1 . 2]" 1
32 1 3 ASN QB 1 4 ARG H . . 4.580 2.788 2.458 3.578 . 0 0 "[ . 1 . 2]" 1
33 1 4 ARG H 1 4 ARG QG . . 3.620 2.782 2.013 3.856 0.236 20 0 "[ . 1 . 2]" 1
34 1 4 ARG H 1 5 VAL H . . 3.450 2.684 2.568 2.842 . 0 0 "[ . 1 . 2]" 1
35 1 4 ARG H 1 6 ARG H . . 4.490 4.037 3.879 4.269 . 0 0 "[ . 1 . 2]" 1
36 1 4 ARG HA 1 4 ARG QD . . 4.800 3.417 2.038 4.184 . 0 0 "[ . 1 . 2]" 1
37 1 4 ARG HA 1 4 ARG QG . . 3.550 2.471 2.103 3.417 . 0 0 "[ . 1 . 2]" 1
38 1 4 ARG HA 1 7 GLU QB . . 4.000 3.068 2.666 3.473 . 0 0 "[ . 1 . 2]" 1
39 1 4 ARG HA 1 30 VAL HB . . 5.050 3.841 2.960 4.833 . 0 0 "[ . 1 . 2]" 1
40 1 4 ARG HA 1 30 VAL MG1 . . 4.280 3.412 2.630 4.100 . 0 0 "[ . 1 . 2]" 1
41 1 4 ARG QB 1 5 VAL H . . 3.910 2.568 2.383 3.483 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG QB 1 30 VAL HB . . 4.930 3.256 2.273 4.966 0.036 20 0 "[ . 1 . 2]" 1
43 1 4 ARG QB 1 32 LEU QD . . 4.280 3.406 2.458 4.280 0.000 20 0 "[ . 1 . 2]" 1
44 1 4 ARG QB 1 40 LEU QD . . 3.990 3.815 3.160 4.016 0.026 13 0 "[ . 1 . 2]" 1
45 1 4 ARG HB2 1 5 VAL H . . 4.670 2.779 2.427 4.011 . 0 0 "[ . 1 . 2]" 1
46 1 4 ARG HB3 1 5 VAL H . . 4.670 3.312 2.685 3.952 . 0 0 "[ . 1 . 2]" 1
47 1 4 ARG QD 1 30 VAL HB . . 5.040 3.963 1.933 4.937 . 0 0 "[ . 1 . 2]" 1
48 1 4 ARG QD 1 30 VAL MG2 . . 5.040 4.344 2.654 5.041 0.001 4 0 "[ . 1 . 2]" 1
49 1 4 ARG QD 1 32 LEU QD . . 4.000 3.002 1.931 4.091 0.091 13 0 "[ . 1 . 2]" 1
50 1 4 ARG QG 1 30 VAL HB . . 4.890 3.707 2.264 4.904 0.014 13 0 "[ . 1 . 2]" 1
51 1 4 ARG QG 1 32 LEU QD . . 5.010 3.473 2.047 4.713 . 0 0 "[ . 1 . 2]" 1
52 1 5 VAL H 1 5 VAL MG1 . . 4.770 3.551 2.262 3.769 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL H 1 5 VAL QG . . 3.460 2.058 1.812 2.305 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL H 1 5 VAL MG2 . . 4.770 2.080 1.906 2.326 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL H 1 6 ARG H . . 3.390 2.614 2.562 2.733 . 0 0 "[ . 1 . 2]" 1
56 1 5 VAL HA 1 5 VAL MG1 . . 3.670 2.353 2.220 2.400 . 0 0 "[ . 1 . 2]" 1
57 1 5 VAL HA 1 5 VAL MG2 . . 3.670 2.516 2.280 3.202 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL HA 1 8 ALA H . . 4.300 3.366 3.152 3.582 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL HA 1 8 ALA MB . . 3.690 2.741 2.345 3.067 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL HA 1 9 CYS H . . 5.310 4.573 3.818 5.199 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL HA 1 37 LEU QD . . 4.390 2.889 2.617 3.242 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL HA 1 41 PHE QE . . 4.040 3.103 2.467 3.723 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL QG 1 6 ARG H . . 4.320 3.096 2.071 3.300 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL QG 1 6 ARG HA . . 4.800 3.523 3.136 3.707 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL QG 1 8 ALA MB . . 5.440 3.147 2.747 3.948 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL QG 1 40 LEU QB . . 3.300 2.644 2.441 2.788 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL QG 1 40 LEU QD . . 3.240 3.120 2.726 3.278 0.038 3 0 "[ . 1 . 2]" 1
68 1 5 VAL QG 1 40 LEU HG . . 4.860 4.828 4.559 4.893 0.033 16 0 "[ . 1 . 2]" 1
69 1 5 VAL QG 1 41 PHE H . . 4.810 3.577 3.132 3.980 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL QG 1 41 PHE HA . . 3.510 2.286 1.987 2.675 . 0 0 "[ . 1 . 2]" 1
71 1 5 VAL QG 1 41 PHE QD . . 3.710 2.450 2.112 3.190 . 0 0 "[ . 1 . 2]" 1
72 1 5 VAL QG 1 44 GLN QB . . 3.630 2.596 2.080 3.085 . 0 0 "[ . 1 . 2]" 1
73 1 5 VAL QG 1 44 GLN QG . . 3.780 2.317 1.876 2.940 . 0 0 "[ . 1 . 2]" 1
74 1 5 VAL QG 1 45 LEU HB2 . . 5.440 4.230 3.558 5.441 0.001 10 0 "[ . 1 . 2]" 1
75 1 5 VAL QG 1 45 LEU QD . . 3.770 2.917 2.080 3.782 0.012 3 0 "[ . 1 . 2]" 1
76 1 5 VAL QG 1 45 LEU HG . . 4.630 4.188 3.203 4.663 0.033 3 0 "[ . 1 . 2]" 1
77 1 5 VAL MG1 1 6 ARG H . . 5.010 3.617 3.436 3.955 . 0 0 "[ . 1 . 2]" 1
78 1 5 VAL MG1 1 41 PHE HA . . 4.040 2.413 1.996 3.186 . 0 0 "[ . 1 . 2]" 1
79 1 5 VAL MG1 1 44 GLN HB2 . . 4.730 3.153 2.713 3.813 . 0 0 "[ . 1 . 2]" 1
80 1 5 VAL MG1 1 44 GLN HB3 . . 4.730 3.778 2.878 4.604 . 0 0 "[ . 1 . 2]" 1
81 1 5 VAL MG2 1 6 ARG H . . 5.010 3.575 2.078 3.941 . 0 0 "[ . 1 . 2]" 1
82 1 5 VAL MG2 1 41 PHE HA . . 4.040 3.042 2.637 4.055 0.015 19 0 "[ . 1 . 2]" 1
83 1 5 VAL MG2 1 44 GLN HB2 . . 4.730 3.015 2.313 3.511 . 0 0 "[ . 1 . 2]" 1
84 1 5 VAL MG2 1 44 GLN HB3 . . 4.730 3.681 2.642 4.300 . 0 0 "[ . 1 . 2]" 1
85 1 6 ARG H 1 6 ARG HB2 . . 3.580 2.221 2.064 2.379 . 0 0 "[ . 1 . 2]" 1
86 1 6 ARG H 1 6 ARG QB . . 3.130 2.146 2.044 2.225 . 0 0 "[ . 1 . 2]" 1
87 1 6 ARG H 1 6 ARG HB3 . . 3.580 2.923 2.674 3.397 . 0 0 "[ . 1 . 2]" 1
88 1 6 ARG H 1 6 ARG QG . . 4.490 3.895 3.389 4.045 . 0 0 "[ . 1 . 2]" 1
89 1 6 ARG H 1 7 GLU H . . 3.820 2.709 2.574 2.812 . 0 0 "[ . 1 . 2]" 1
90 1 6 ARG HA 1 6 ARG QD . . 4.360 3.193 2.273 3.653 . 0 0 "[ . 1 . 2]" 1
91 1 6 ARG HA 1 6 ARG HG2 . . 4.180 3.418 3.116 3.711 . 0 0 "[ . 1 . 2]" 1
92 1 6 ARG HA 1 6 ARG QG . . 3.650 2.216 2.003 2.570 . 0 0 "[ . 1 . 2]" 1
93 1 6 ARG HA 1 6 ARG HG3 . . 4.180 2.245 2.022 2.621 . 0 0 "[ . 1 . 2]" 1
94 1 6 ARG HA 1 9 CYS QB . . 4.140 3.205 2.689 3.758 . 0 0 "[ . 1 . 2]" 1
95 1 6 ARG QB 1 6 ARG QD . . 3.210 2.049 1.947 2.208 . 0 0 "[ . 1 . 2]" 1
96 1 6 ARG QB 1 7 GLU H . . 3.330 2.673 2.449 2.825 . 0 0 "[ . 1 . 2]" 1
97 1 6 ARG HB2 1 6 ARG QD . . 3.710 2.092 1.969 2.247 . 0 0 "[ . 1 . 2]" 1
98 1 6 ARG HB2 1 7 GLU H . . 4.130 3.610 3.099 3.862 . 0 0 "[ . 1 . 2]" 1
99 1 6 ARG HB3 1 6 ARG QD . . 3.710 2.990 2.687 3.248 . 0 0 "[ . 1 . 2]" 1
100 1 6 ARG HB3 1 7 GLU H . . 4.130 2.782 2.486 3.255 . 0 0 "[ . 1 . 2]" 1
101 1 6 ARG QG 1 9 CYS QB . . 4.800 3.852 3.299 4.829 0.029 19 0 "[ . 1 . 2]" 1
102 1 7 GLU H 1 7 GLU QB . . 3.350 2.133 2.058 2.236 . 0 0 "[ . 1 . 2]" 1
103 1 7 GLU H 1 7 GLU QG . . 4.200 3.411 2.693 4.041 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLU H 1 8 ALA H . . 3.630 2.622 2.503 2.731 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLU H 1 9 CYS H . . 4.620 4.174 4.050 4.253 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLU HA 1 7 GLU HG2 . . 4.130 3.054 2.397 3.645 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLU HA 1 7 GLU QG . . 3.570 2.491 2.126 2.710 . 0 0 "[ . 1 . 2]" 1
108 1 7 GLU HA 1 7 GLU HG3 . . 4.130 2.985 2.146 3.620 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLU HA 1 10 GLN H . . 4.150 3.524 3.428 3.691 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLU HA 1 10 GLN QB . . 3.780 3.096 2.651 3.601 . 0 0 "[ . 1 . 2]" 1
111 1 7 GLU QB 1 29 HIS HD2 . . 4.250 3.806 3.030 4.258 0.008 16 0 "[ . 1 . 2]" 1
112 1 7 GLU QB 1 30 VAL MG1 . . 3.500 2.179 1.883 2.450 . 0 0 "[ . 1 . 2]" 1
113 1 7 GLU HB2 1 8 ALA H . . 4.220 3.179 2.812 3.697 . 0 0 "[ . 1 . 2]" 1
114 1 7 GLU HB2 1 30 VAL MG1 . . 4.080 2.812 2.026 3.533 . 0 0 "[ . 1 . 2]" 1
115 1 7 GLU HB3 1 8 ALA H . . 4.220 3.086 2.592 3.568 . 0 0 "[ . 1 . 2]" 1
116 1 7 GLU HB3 1 30 VAL MG1 . . 4.080 2.395 1.948 2.936 . 0 0 "[ . 1 . 2]" 1
117 1 7 GLU QG 1 29 HIS HE1 . . 4.630 4.024 2.701 4.636 0.006 7 0 "[ . 1 . 2]" 1
118 1 7 GLU QG 1 30 VAL MG1 . . 3.970 3.596 2.998 3.982 0.012 14 0 "[ . 1 . 2]" 1
119 1 7 GLU HG2 1 30 VAL MG1 . . 4.730 4.126 3.220 4.738 0.008 16 0 "[ . 1 . 2]" 1
120 1 7 GLU HG3 1 30 VAL MG1 . . 4.730 4.098 3.407 4.721 . 0 0 "[ . 1 . 2]" 1
121 1 8 ALA H 1 8 ALA MB . . 3.240 2.144 2.026 2.245 . 0 0 "[ . 1 . 2]" 1
122 1 8 ALA H 1 30 VAL MG1 . . 3.790 2.791 2.532 3.140 . 0 0 "[ . 1 . 2]" 1
123 1 8 ALA HA 1 11 TYR H . . 4.220 3.464 3.354 3.645 . 0 0 "[ . 1 . 2]" 1
124 1 8 ALA HA 1 11 TYR HB2 . . 4.510 4.072 3.741 4.354 . 0 0 "[ . 1 . 2]" 1
125 1 8 ALA HA 1 11 TYR QB . . 3.750 3.038 2.831 3.191 . 0 0 "[ . 1 . 2]" 1
126 1 8 ALA HA 1 11 TYR HB3 . . 4.510 3.137 2.931 3.323 . 0 0 "[ . 1 . 2]" 1
127 1 8 ALA HA 1 11 TYR QD . . 4.430 4.351 4.071 4.449 0.019 16 0 "[ . 1 . 2]" 1
128 1 8 ALA HA 1 12 ILE H . . 5.290 4.360 3.994 5.097 . 0 0 "[ . 1 . 2]" 1
129 1 8 ALA HA 1 26 VAL MG1 . . 3.720 3.004 2.578 3.310 . 0 0 "[ . 1 . 2]" 1
130 1 8 ALA HA 1 26 VAL MG2 . . 4.990 4.788 4.468 4.996 0.006 1 0 "[ . 1 . 2]" 1
131 1 8 ALA HA 1 29 HIS HD2 . . 3.970 2.186 1.992 2.657 . 0 0 "[ . 1 . 2]" 1
132 1 8 ALA HA 1 30 VAL MG1 . . 4.000 2.972 2.378 3.475 . 0 0 "[ . 1 . 2]" 1
133 1 8 ALA HA 1 41 PHE QE . . 5.280 4.666 4.474 4.915 . 0 0 "[ . 1 . 2]" 1
134 1 8 ALA MB 1 9 CYS H . . 4.340 2.664 2.439 2.794 . 0 0 "[ . 1 . 2]" 1
135 1 8 ALA MB 1 12 ILE MD . . 4.260 2.769 1.992 3.975 . 0 0 "[ . 1 . 2]" 1
136 1 8 ALA MB 1 26 VAL MG1 . . 3.380 1.957 1.842 2.097 . 0 0 "[ . 1 . 2]" 1
137 1 8 ALA MB 1 29 HIS HD2 . . 5.090 3.729 3.487 4.143 . 0 0 "[ . 1 . 2]" 1
138 1 8 ALA MB 1 30 VAL MG1 . . 3.650 2.248 1.846 2.867 . 0 0 "[ . 1 . 2]" 1
139 1 8 ALA MB 1 37 LEU MD1 . . 3.700 2.641 2.102 3.176 . 0 0 "[ . 1 . 2]" 1
140 1 8 ALA MB 1 37 LEU QD . . 3.190 2.399 1.979 2.819 . 0 0 "[ . 1 . 2]" 1
141 1 8 ALA MB 1 37 LEU MD2 . . 3.700 2.826 2.417 3.299 . 0 0 "[ . 1 . 2]" 1
142 1 8 ALA MB 1 41 PHE QE . . 3.940 1.917 1.870 2.013 . 0 0 "[ . 1 . 2]" 1
143 1 8 ALA MB 1 41 PHE HZ . . 4.950 3.122 2.607 3.699 . 0 0 "[ . 1 . 2]" 1
144 1 9 CYS H 1 9 CYS HB2 . . 4.040 2.814 2.296 3.582 . 0 0 "[ . 1 . 2]" 1
145 1 9 CYS H 1 9 CYS QB . . 3.380 2.318 2.237 2.503 . 0 0 "[ . 1 . 2]" 1
146 1 9 CYS H 1 9 CYS HB3 . . 4.040 2.759 2.336 3.590 . 0 0 "[ . 1 . 2]" 1
147 1 9 CYS H 1 10 GLN H . . 3.900 2.661 2.588 2.690 . 0 0 "[ . 1 . 2]" 1
148 1 9 CYS HA 1 12 ILE HB . . 4.150 2.790 2.586 3.293 . 0 0 "[ . 1 . 2]" 1
149 1 9 CYS HA 1 12 ILE MD . . 4.100 2.481 1.916 3.112 . 0 0 "[ . 1 . 2]" 1
150 1 9 CYS HA 1 52 TRP HH2 . . 4.220 2.663 2.003 3.814 . 0 0 "[ . 1 . 2]" 1
151 1 9 CYS HA 1 52 TRP HZ3 . . 4.160 3.165 2.587 3.710 . 0 0 "[ . 1 . 2]" 1
152 1 9 CYS QB 1 10 GLN H . . 3.680 2.932 2.659 3.520 . 0 0 "[ . 1 . 2]" 1
153 1 9 CYS QB 1 52 TRP HH2 . . 3.680 2.585 1.980 3.244 . 0 0 "[ . 1 . 2]" 1
154 1 9 CYS QB 1 52 TRP HZ2 . . 3.750 3.059 2.325 3.736 . 0 0 "[ . 1 . 2]" 1
155 1 9 CYS HB2 1 10 GLN H . . 4.500 3.663 2.717 4.061 . 0 0 "[ . 1 . 2]" 1
156 1 9 CYS HB2 1 52 TRP HH2 . . 4.350 3.119 2.281 3.757 . 0 0 "[ . 1 . 2]" 1
157 1 9 CYS HB3 1 10 GLN H . . 4.500 3.349 2.790 3.898 . 0 0 "[ . 1 . 2]" 1
158 1 9 CYS HB3 1 52 TRP HH2 . . 4.350 3.557 1.989 4.413 0.063 14 0 "[ . 1 . 2]" 1
159 1 10 GLN H 1 10 GLN QB . . 3.130 2.279 2.144 2.532 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLN H 1 10 GLN QG . . 4.540 3.427 1.977 4.063 . 0 0 "[ . 1 . 2]" 1
161 1 10 GLN H 1 11 TYR H . . 3.870 2.673 2.567 2.725 . 0 0 "[ . 1 . 2]" 1
162 1 10 GLN HA 1 10 GLN HE21 . . 4.930 3.834 3.120 4.676 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLN HA 1 10 GLN QE . . 4.270 3.501 2.980 4.133 . 0 0 "[ . 1 . 2]" 1
164 1 10 GLN HA 1 10 GLN HE22 . . 4.930 4.071 3.535 4.667 . 0 0 "[ . 1 . 2]" 1
165 1 10 GLN HA 1 12 ILE H . . 5.500 4.646 4.209 4.808 . 0 0 "[ . 1 . 2]" 1
166 1 10 GLN QB 1 11 TYR H . . 3.520 2.570 2.421 2.718 . 0 0 "[ . 1 . 2]" 1
167 1 10 GLN QE 1 10 GLN QG . . 2.970 2.227 2.067 2.520 . 0 0 "[ . 1 . 2]" 1
168 1 10 GLN QG 1 11 TYR H . . 5.000 3.924 3.545 4.404 . 0 0 "[ . 1 . 2]" 1
169 1 11 TYR H 1 11 TYR HB2 . . 3.470 2.742 2.660 2.827 . 0 0 "[ . 1 . 2]" 1
170 1 11 TYR H 1 11 TYR HB3 . . 3.470 2.353 2.271 2.426 . 0 0 "[ . 1 . 2]" 1
171 1 11 TYR H 1 12 ILE H . . 3.950 2.625 2.562 2.650 . 0 0 "[ . 1 . 2]" 1
172 1 11 TYR H 1 12 ILE HB . . 5.500 4.839 4.793 4.921 . 0 0 "[ . 1 . 2]" 1
173 1 11 TYR HA 1 11 TYR QD . . 3.640 2.525 2.342 2.826 . 0 0 "[ . 1 . 2]" 1
174 1 11 TYR HA 1 11 TYR QE . . 4.800 4.642 4.562 4.756 . 0 0 "[ . 1 . 2]" 1
175 1 11 TYR HA 1 14 ASP H . . 4.660 3.583 3.494 3.663 . 0 0 "[ . 1 . 2]" 1
176 1 11 TYR HA 1 14 ASP HB2 . . 4.590 3.241 2.781 3.872 . 0 0 "[ . 1 . 2]" 1
177 1 11 TYR HA 1 14 ASP QB . . 3.890 3.016 2.743 3.336 . 0 0 "[ . 1 . 2]" 1
178 1 11 TYR HA 1 14 ASP HB3 . . 4.590 3.993 3.046 4.591 0.001 15 0 "[ . 1 . 2]" 1
179 1 11 TYR HA 1 15 HIS HD2 . . 4.460 4.273 4.022 4.454 . 0 0 "[ . 1 . 2]" 1
180 1 11 TYR QB 1 12 ILE H . . 3.810 2.550 2.466 2.802 . 0 0 "[ . 1 . 2]" 1
181 1 11 TYR HB2 1 12 ILE H . . 4.590 3.937 3.877 4.114 . 0 0 "[ . 1 . 2]" 1
182 1 11 TYR HB2 1 29 HIS HD2 . . 3.810 2.657 2.253 3.214 . 0 0 "[ . 1 . 2]" 1
183 1 11 TYR HB3 1 12 ILE H . . 4.590 2.584 2.495 2.851 . 0 0 "[ . 1 . 2]" 1
184 1 11 TYR HB3 1 29 HIS HD2 . . 3.810 2.714 2.287 3.177 . 0 0 "[ . 1 . 2]" 1
185 1 11 TYR QD 1 12 ILE HA . . 4.110 3.824 3.301 4.083 . 0 0 "[ . 1 . 2]" 1
186 1 11 TYR QD 1 12 ILE QG . . 4.210 2.900 2.555 3.258 . 0 0 "[ . 1 . 2]" 1
187 1 11 TYR QD 1 26 VAL HA . . 3.780 2.539 2.283 3.101 . 0 0 "[ . 1 . 2]" 1
188 1 11 TYR QD 1 26 VAL HB . . 4.700 4.623 4.247 4.713 0.013 1 0 "[ . 1 . 2]" 1
189 1 11 TYR QD 1 26 VAL MG2 . . 3.200 2.218 1.942 2.529 . 0 0 "[ . 1 . 2]" 1
190 1 11 TYR QE 1 12 ILE HA . . 4.960 4.611 4.251 4.805 . 0 0 "[ . 1 . 2]" 1
191 1 11 TYR QE 1 15 HIS HB2 . . 5.030 4.583 3.794 5.036 0.006 10 0 "[ . 1 . 2]" 1
192 1 11 TYR QE 1 15 HIS HE1 . . 4.210 3.733 3.122 4.158 . 0 0 "[ . 1 . 2]" 1
193 1 11 TYR QE 1 21 PHE QD . . 4.290 4.250 3.779 4.299 0.009 20 0 "[ . 1 . 2]" 1
194 1 11 TYR QE 1 21 PHE QE . . 5.080 3.199 2.660 4.071 . 0 0 "[ . 1 . 2]" 1
195 1 11 TYR QE 1 25 SER QB . . 3.930 2.335 1.906 3.093 . 0 0 "[ . 1 . 2]" 1
196 1 11 TYR QE 1 26 VAL HA . . 3.670 3.416 3.006 3.679 0.009 8 0 "[ . 1 . 2]" 1
197 1 11 TYR QE 1 26 VAL HB . . 5.000 4.857 4.458 5.013 0.013 19 0 "[ . 1 . 2]" 1
198 1 11 TYR QE 1 26 VAL MG2 . . 3.320 2.256 1.957 2.536 . 0 0 "[ . 1 . 2]" 1
199 1 11 TYR QE 1 29 HIS QB . . 4.690 4.482 4.237 4.691 0.001 9 0 "[ . 1 . 2]" 1
200 1 12 ILE H 1 12 ILE HB . . 3.340 2.557 2.521 2.601 . 0 0 "[ . 1 . 2]" 1
201 1 12 ILE H 1 13 SER H . . 4.010 2.676 2.619 2.723 . 0 0 "[ . 1 . 2]" 1
202 1 12 ILE H 1 26 VAL MG1 . . 4.520 4.254 3.741 4.525 0.005 4 0 "[ . 1 . 2]" 1
203 1 12 ILE H 1 26 VAL MG2 . . 4.490 4.275 3.971 4.492 0.002 11 0 "[ . 1 . 2]" 1
204 1 12 ILE HA 1 14 ASP H . . 5.240 4.320 4.051 4.553 . 0 0 "[ . 1 . 2]" 1
205 1 12 ILE HA 1 15 HIS H . . 3.990 3.372 3.256 3.536 . 0 0 "[ . 1 . 2]" 1
206 1 12 ILE HB 1 12 ILE MD . . 3.450 2.271 2.029 2.409 . 0 0 "[ . 1 . 2]" 1
207 1 12 ILE HB 1 13 SER H . . 4.390 2.671 2.527 2.737 . 0 0 "[ . 1 . 2]" 1
208 1 12 ILE HB 1 52 TRP HE3 . . 5.500 4.670 4.159 5.340 . 0 0 "[ . 1 . 2]" 1
209 1 12 ILE HB 1 52 TRP HZ3 . . 3.780 2.373 2.004 2.973 . 0 0 "[ . 1 . 2]" 1
210 1 12 ILE MD 1 49 VAL MG1 . . 4.450 2.837 2.012 4.468 0.018 17 0 "[ . 1 . 2]" 1
211 1 12 ILE MD 1 49 VAL QG . . 3.910 2.505 1.999 3.395 . 0 0 "[ . 1 . 2]" 1
212 1 12 ILE MD 1 49 VAL MG2 . . 4.450 3.706 2.122 4.482 0.032 2 0 "[ . 1 . 2]" 1
213 1 12 ILE MD 1 52 TRP HE3 . . 3.500 3.144 2.616 3.483 . 0 0 "[ . 1 . 2]" 1
214 1 12 ILE MD 1 53 ARG QB . . 4.740 4.318 3.718 4.739 . 0 0 "[ . 1 . 2]" 1
215 1 12 ILE QG 1 21 PHE QE . . 4.170 2.483 1.985 2.975 . 0 0 "[ . 1 . 2]" 1
216 1 12 ILE QG 1 21 PHE HZ . . 4.480 2.387 1.984 3.284 . 0 0 "[ . 1 . 2]" 1
217 1 12 ILE QG 1 26 VAL MG1 . . 4.080 2.784 2.166 3.094 . 0 0 "[ . 1 . 2]" 1
218 1 12 ILE QG 1 26 VAL MG2 . . 4.070 2.233 1.953 2.500 . 0 0 "[ . 1 . 2]" 1
219 1 12 ILE QG 1 52 TRP HE3 . . 5.340 5.089 4.746 5.362 0.022 2 0 "[ . 1 . 2]" 1
220 1 12 ILE MG 1 13 SER H . . 5.320 3.535 3.393 3.654 . 0 0 "[ . 1 . 2]" 1
221 1 12 ILE MG 1 13 SER HA . . 4.110 3.568 3.447 3.744 . 0 0 "[ . 1 . 2]" 1
222 1 12 ILE MG 1 13 SER QB . . 5.340 4.445 4.279 4.762 . 0 0 "[ . 1 . 2]" 1
223 1 12 ILE MG 1 21 PHE HZ . . 4.390 3.280 2.654 3.896 . 0 0 "[ . 1 . 2]" 1
224 1 12 ILE MG 1 52 TRP HH2 . . 4.200 3.806 3.360 4.202 0.002 14 0 "[ . 1 . 2]" 1
225 1 12 ILE MG 1 52 TRP HZ3 . . 3.560 2.298 1.990 2.706 . 0 0 "[ . 1 . 2]" 1
226 1 12 ILE MG 1 53 ARG HA . . 4.120 3.701 3.338 4.040 . 0 0 "[ . 1 . 2]" 1
227 1 12 ILE MG 1 53 ARG QB . . 3.930 3.202 2.818 3.872 . 0 0 "[ . 1 . 2]" 1
228 1 12 ILE MG 1 53 ARG QD . . 3.860 2.854 1.823 3.863 0.003 4 0 "[ . 1 . 2]" 1
229 1 12 ILE MG 1 53 ARG QG . . 3.780 2.665 1.910 3.755 . 0 0 "[ . 1 . 2]" 1
230 1 13 SER H 1 13 SER QB . . 3.650 2.268 2.189 2.396 . 0 0 "[ . 1 . 2]" 1
231 1 13 SER H 1 14 ASP H . . 4.030 2.705 2.641 2.768 . 0 0 "[ . 1 . 2]" 1
232 1 13 SER QB 1 14 ASP H . . 3.910 2.929 2.483 3.442 . 0 0 "[ . 1 . 2]" 1
233 1 13 SER QB 1 14 ASP HA . . 4.850 4.298 3.869 4.600 . 0 0 "[ . 1 . 2]" 1
234 1 13 SER QB 1 15 HIS H . . 5.190 4.738 4.448 5.047 . 0 0 "[ . 1 . 2]" 1
235 1 13 SER QB 1 16 LEU H . . 5.340 4.941 4.722 5.151 . 0 0 "[ . 1 . 2]" 1
236 1 13 SER QB 1 16 LEU HB2 . . 5.160 4.235 3.802 4.821 . 0 0 "[ . 1 . 2]" 1
237 1 13 SER QB 1 16 LEU QD . . 5.280 3.923 3.360 4.676 . 0 0 "[ . 1 . 2]" 1
238 1 14 ASP H 1 14 ASP HB2 . . 3.980 2.300 2.135 2.636 . 0 0 "[ . 1 . 2]" 1
239 1 14 ASP H 1 14 ASP QB . . 3.270 2.205 2.115 2.314 . 0 0 "[ . 1 . 2]" 1
240 1 14 ASP H 1 14 ASP HB3 . . 3.980 3.090 2.443 3.569 . 0 0 "[ . 1 . 2]" 1
241 1 14 ASP H 1 15 HIS H . . 3.710 2.578 2.555 2.688 . 0 0 "[ . 1 . 2]" 1
242 1 14 ASP H 1 15 HIS HB2 . . 4.940 4.685 4.518 4.845 . 0 0 "[ . 1 . 2]" 1
243 1 14 ASP H 1 16 LEU H . . 5.260 4.052 3.946 4.195 . 0 0 "[ . 1 . 2]" 1
244 1 14 ASP HA 1 16 LEU HB3 . . 5.500 5.103 4.643 5.513 0.013 6 0 "[ . 1 . 2]" 1
245 1 14 ASP QB 1 15 HIS HD2 . . 3.350 2.342 2.066 2.841 . 0 0 "[ . 1 . 2]" 1
246 1 14 ASP HB2 1 15 HIS HD2 . . 3.890 3.449 2.565 3.892 0.002 10 0 "[ . 1 . 2]" 1
247 1 14 ASP HB3 1 15 HIS HD2 . . 3.890 2.478 2.075 3.053 . 0 0 "[ . 1 . 2]" 1
248 1 15 HIS H 1 15 HIS HB2 . . 3.500 2.358 2.252 2.473 . 0 0 "[ . 1 . 2]" 1
249 1 15 HIS H 1 16 LEU H . . 3.420 2.561 2.418 2.644 . 0 0 "[ . 1 . 2]" 1
250 1 15 HIS H 1 16 LEU HB2 . . 4.710 4.348 4.160 4.580 . 0 0 "[ . 1 . 2]" 1
251 1 15 HIS HA 1 15 HIS HD2 . . 4.320 3.402 2.962 3.706 . 0 0 "[ . 1 . 2]" 1
252 1 15 HIS HA 1 17 ALA H . . 4.370 3.357 3.237 3.651 . 0 0 "[ . 1 . 2]" 1
253 1 15 HIS HA 1 18 ASP H . . 4.400 2.918 2.804 3.267 . 0 0 "[ . 1 . 2]" 1
254 1 15 HIS HA 1 18 ASP HB2 . . 5.010 2.633 2.239 3.236 . 0 0 "[ . 1 . 2]" 1
255 1 15 HIS HB2 1 16 LEU H . . 5.070 3.942 3.914 3.998 . 0 0 "[ . 1 . 2]" 1
256 1 16 LEU H 1 16 LEU HB2 . . 3.170 2.367 2.202 2.569 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU H 1 16 LEU HB3 . . 3.780 2.654 2.440 2.859 . 0 0 "[ . 1 . 2]" 1
258 1 16 LEU H 1 16 LEU QD . . 4.320 3.598 3.387 3.695 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU H 1 17 ALA H . . 3.810 2.673 2.581 2.792 . 0 0 "[ . 1 . 2]" 1
260 1 16 LEU HA 1 16 LEU MD1 . . 4.050 2.632 2.003 3.578 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU HA 1 16 LEU QD . . 3.400 2.480 1.994 3.143 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU HA 1 16 LEU MD2 . . 4.050 3.678 2.044 3.925 . 0 0 "[ . 1 . 2]" 1
263 1 16 LEU HA 1 16 LEU HG . . 4.270 2.799 2.339 3.693 . 0 0 "[ . 1 . 2]" 1
264 1 16 LEU HA 1 18 ASP H . . 4.740 4.168 3.923 4.266 . 0 0 "[ . 1 . 2]" 1
265 1 16 LEU HB2 1 17 ALA H . . 4.200 3.925 3.637 4.067 . 0 0 "[ . 1 . 2]" 1
266 1 16 LEU HB3 1 79 VAL HA . . 5.250 5.163 4.819 5.265 0.015 9 0 "[ . 1 . 2]" 1
267 1 16 LEU QD 1 53 ARG HA . . 4.890 3.792 2.860 4.818 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU QD 1 53 ARG QG . . 5.010 2.811 1.930 4.308 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU QD 1 56 GLN HB3 . . 4.850 3.125 2.263 3.811 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU QD 1 56 GLN QG . . 4.670 4.148 3.249 4.680 0.010 8 0 "[ . 1 . 2]" 1
271 1 16 LEU QD 1 57 ARG H . . 4.890 3.588 2.532 4.269 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU QD 1 57 ARG HA . . 3.550 2.688 2.044 3.317 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU QD 1 57 ARG QD . . 5.050 3.262 2.333 4.085 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU QD 1 57 ARG QG . . 3.950 2.325 1.792 3.958 0.008 4 0 "[ . 1 . 2]" 1
275 1 16 LEU QD 1 60 GLN HB2 . . 5.440 3.681 3.101 4.300 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU QD 1 79 VAL HA . . 4.480 2.917 2.098 3.974 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU MD1 1 57 ARG HA . . 4.090 3.321 2.203 3.933 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU MD1 1 79 VAL HA . . 5.500 4.622 2.539 5.476 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU MD2 1 57 ARG HA . . 4.090 3.017 2.062 3.798 . 0 0 "[ . 1 . 2]" 1
280 1 16 LEU MD2 1 79 VAL HA . . 5.500 3.077 2.108 4.934 . 0 0 "[ . 1 . 2]" 1
281 1 16 LEU HG 1 57 ARG QG . . 4.700 3.090 2.139 4.703 0.003 4 0 "[ . 1 . 2]" 1
282 1 16 LEU HG 1 79 VAL HA . . 4.610 4.192 3.321 4.618 0.008 9 0 "[ . 1 . 2]" 1
283 1 17 ALA H 1 17 ALA MB . . 3.450 2.168 2.094 2.275 . 0 0 "[ . 1 . 2]" 1
284 1 17 ALA H 1 18 ASP H . . 3.380 2.255 2.200 2.408 . 0 0 "[ . 1 . 2]" 1
285 1 17 ALA HA 1 18 ASP HA . . 5.380 4.804 4.699 4.827 . 0 0 "[ . 1 . 2]" 1
286 1 17 ALA HA 1 79 VAL HA . . 5.500 4.978 3.939 5.495 . 0 0 "[ . 1 . 2]" 1
287 1 17 ALA HA 1 80 GLY HA2 . . 4.090 3.266 2.452 3.911 . 0 0 "[ . 1 . 2]" 1
288 1 17 ALA MB 1 18 ASP H . . 3.870 3.014 2.965 3.033 . 0 0 "[ . 1 . 2]" 1
289 1 17 ALA MB 1 80 GLY HA2 . . 5.010 3.282 2.182 4.022 . 0 0 "[ . 1 . 2]" 1
290 1 18 ASP H 1 18 ASP HB2 . . 3.150 2.229 2.173 2.367 . 0 0 "[ . 1 . 2]" 1
291 1 18 ASP H 1 18 ASP HB3 . . 3.530 3.097 2.797 3.524 . 0 0 "[ . 1 . 2]" 1
292 1 18 ASP H 1 19 SER H . . 5.170 4.616 4.544 4.639 . 0 0 "[ . 1 . 2]" 1
293 1 18 ASP HA 1 19 SER H . . 3.020 2.244 2.162 2.314 . 0 0 "[ . 1 . 2]" 1
294 1 18 ASP HB2 1 19 SER H . . 4.640 4.196 4.073 4.353 . 0 0 "[ . 1 . 2]" 1
295 1 18 ASP HB3 1 19 SER H . . 4.310 3.401 2.807 3.815 . 0 0 "[ . 1 . 2]" 1
296 1 18 ASP HB3 1 20 ASN H . . 4.330 3.968 2.848 4.331 0.001 7 0 "[ . 1 . 2]" 1
297 1 19 SER H 1 19 SER QB . . 3.690 2.496 2.258 2.877 . 0 0 "[ . 1 . 2]" 1
298 1 19 SER H 1 20 ASN H . . 3.650 2.433 2.195 2.627 . 0 0 "[ . 1 . 2]" 1
299 1 19 SER HA 1 20 ASN HA . . 5.070 4.673 4.631 4.809 . 0 0 "[ . 1 . 2]" 1
300 1 19 SER QB 1 20 ASN H . . 3.830 2.517 2.324 3.179 . 0 0 "[ . 1 . 2]" 1
301 1 19 SER QB 1 20 ASN QB . . 4.760 4.204 3.886 4.757 . 0 0 "[ . 1 . 2]" 1
302 1 19 SER QB 1 20 ASN QD . . 4.760 3.992 2.734 4.751 . 0 0 "[ . 1 . 2]" 1
303 1 20 ASN H 1 20 ASN QB . . 3.230 2.411 2.163 2.670 . 0 0 "[ . 1 . 2]" 1
304 1 20 ASN H 1 20 ASN QD . . 4.970 3.574 2.406 4.205 . 0 0 "[ . 1 . 2]" 1
305 1 20 ASN H 1 21 PHE H . . 4.340 4.280 4.132 4.344 0.004 8 0 "[ . 1 . 2]" 1
306 1 20 ASN HA 1 21 PHE H . . 3.060 2.175 2.153 2.222 . 0 0 "[ . 1 . 2]" 1
307 1 20 ASN HA 1 21 PHE HA . . 5.380 4.410 4.394 4.461 . 0 0 "[ . 1 . 2]" 1
308 1 21 PHE H 1 21 PHE HB2 . . 3.890 2.933 2.655 3.103 . 0 0 "[ . 1 . 2]" 1
309 1 21 PHE H 1 21 PHE QB . . 3.080 2.384 2.256 2.482 . 0 0 "[ . 1 . 2]" 1
310 1 21 PHE H 1 21 PHE HB3 . . 3.890 2.529 2.354 2.668 . 0 0 "[ . 1 . 2]" 1
311 1 21 PHE H 1 21 PHE QD . . 4.610 4.257 4.149 4.318 . 0 0 "[ . 1 . 2]" 1
312 1 21 PHE H 1 22 ASP H . . 4.780 4.402 4.154 4.571 . 0 0 "[ . 1 . 2]" 1
313 1 21 PHE HA 1 21 PHE QD . . 3.810 2.162 2.032 2.510 . 0 0 "[ . 1 . 2]" 1
314 1 21 PHE HA 1 22 ASP H . . 2.860 2.159 2.138 2.187 . 0 0 "[ . 1 . 2]" 1
315 1 21 PHE QB 1 22 ASP QB . . 5.120 5.179 5.151 5.258 0.138 20 0 "[ . 1 . 2]" 1
316 1 21 PHE QD 1 22 ASP H . . 4.160 2.640 2.235 3.338 . 0 0 "[ . 1 . 2]" 1
317 1 21 PHE QD 1 22 ASP HA . . 4.910 4.640 4.472 4.778 . 0 0 "[ . 1 . 2]" 1
318 1 21 PHE QD 1 50 LEU QD . . 4.340 3.162 2.266 4.225 . 0 0 "[ . 1 . 2]" 1
319 1 21 PHE QE 1 23 ILE HA . . 4.050 3.741 2.989 4.056 0.006 2 0 "[ . 1 . 2]" 1
320 1 21 PHE QE 1 26 VAL MG2 . . 3.280 2.315 2.037 2.767 . 0 0 "[ . 1 . 2]" 1
321 1 21 PHE QE 1 49 VAL QG . . 3.730 2.665 1.983 3.124 . 0 0 "[ . 1 . 2]" 1
322 1 21 PHE QE 1 50 LEU QD . . 3.410 3.195 2.693 3.415 0.005 20 0 "[ . 1 . 2]" 1
323 1 21 PHE HZ 1 23 ILE HA . . 5.300 3.637 2.520 4.383 . 0 0 "[ . 1 . 2]" 1
324 1 21 PHE HZ 1 26 VAL MG2 . . 4.890 2.154 1.880 3.426 . 0 0 "[ . 1 . 2]" 1
325 1 21 PHE HZ 1 49 VAL QG . . 3.730 3.107 2.513 3.735 0.005 13 0 "[ . 1 . 2]" 1
326 1 22 ASP H 1 22 ASP QB . . 3.590 2.490 2.432 2.705 . 0 0 "[ . 1 . 2]" 1
327 1 22 ASP HA 1 23 ILE H . . 3.040 2.160 2.139 2.215 . 0 0 "[ . 1 . 2]" 1
328 1 22 ASP HA 1 23 ILE HB . . 5.180 4.540 4.461 4.652 . 0 0 "[ . 1 . 2]" 1
329 1 22 ASP HA 1 23 ILE MG . . 4.650 3.813 3.742 3.948 . 0 0 "[ . 1 . 2]" 1
330 1 22 ASP HA 1 24 ALA H . . 4.450 3.564 3.347 3.739 . 0 0 "[ . 1 . 2]" 1
331 1 22 ASP QB 1 23 ILE H . . 4.400 3.786 3.157 3.945 . 0 0 "[ . 1 . 2]" 1
332 1 22 ASP QB 1 24 ALA H . . 4.680 3.561 2.971 3.880 . 0 0 "[ . 1 . 2]" 1
333 1 22 ASP QB 1 24 ALA MB . . 5.320 3.513 2.975 3.917 . 0 0 "[ . 1 . 2]" 1
334 1 22 ASP QB 1 25 SER H . . 4.430 2.802 2.442 3.667 . 0 0 "[ . 1 . 2]" 1
335 1 23 ILE H 1 23 ILE HB . . 3.360 2.456 2.418 2.539 . 0 0 "[ . 1 . 2]" 1
336 1 23 ILE H 1 23 ILE QG . . 4.800 4.005 3.947 4.086 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE H 1 23 ILE MG . . 3.530 2.194 2.115 2.252 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE H 1 24 ALA H . . 3.680 2.649 2.537 2.724 . 0 0 "[ . 1 . 2]" 1
339 1 23 ILE HA 1 23 ILE MD . . 4.110 3.121 1.960 3.779 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE HA 1 23 ILE QG . . 3.700 2.446 2.203 2.819 . 0 0 "[ . 1 . 2]" 1
341 1 23 ILE HA 1 26 VAL H . . 4.480 3.308 3.166 3.388 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE HA 1 26 VAL HB . . 4.340 3.003 2.758 3.189 . 0 0 "[ . 1 . 2]" 1
343 1 23 ILE HA 1 26 VAL MG1 . . 4.700 4.165 3.990 4.326 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE HA 1 26 VAL MG2 . . 3.980 2.137 1.978 2.411 . 0 0 "[ . 1 . 2]" 1
345 1 23 ILE HB 1 23 ILE MD . . 3.570 2.330 2.181 2.404 . 0 0 "[ . 1 . 2]" 1
346 1 23 ILE HB 1 24 ALA H . . 4.350 4.011 3.966 4.081 . 0 0 "[ . 1 . 2]" 1
347 1 23 ILE MD 1 26 VAL HB . . 4.740 3.834 2.219 4.679 . 0 0 "[ . 1 . 2]" 1
348 1 23 ILE MD 1 34 PRO HA . . 5.500 4.196 3.459 4.751 . 0 0 "[ . 1 . 2]" 1
349 1 23 ILE MD 1 34 PRO QB . . 5.260 3.561 2.819 4.604 . 0 0 "[ . 1 . 2]" 1
350 1 23 ILE MD 1 49 VAL HB . . 4.200 3.616 2.796 4.036 . 0 0 "[ . 1 . 2]" 1
351 1 23 ILE MD 1 49 VAL QG . . 3.700 2.423 1.839 3.079 . 0 0 "[ . 1 . 2]" 1
352 1 23 ILE QG 1 26 VAL MG1 . . 4.330 3.834 3.414 4.332 0.002 17 0 "[ . 1 . 2]" 1
353 1 23 ILE QG 1 26 VAL MG2 . . 5.340 3.432 2.976 4.091 . 0 0 "[ . 1 . 2]" 1
354 1 23 ILE QG 1 27 ALA MB . . 4.150 3.588 3.173 3.756 . 0 0 "[ . 1 . 2]" 1
355 1 23 ILE QG 1 37 LEU QD . . 4.760 3.506 2.374 3.967 . 0 0 "[ . 1 . 2]" 1
356 1 23 ILE QG 1 49 VAL QG . . 3.590 3.337 2.852 3.605 0.015 7 0 "[ . 1 . 2]" 1
357 1 23 ILE HG12 1 49 VAL MG1 . . 5.010 4.806 3.919 5.023 0.013 3 0 "[ . 1 . 2]" 1
358 1 23 ILE HG12 1 49 VAL MG2 . . 5.010 4.623 3.744 5.026 0.016 20 0 "[ . 1 . 2]" 1
359 1 23 ILE HG13 1 49 VAL MG1 . . 5.010 4.099 3.413 5.017 0.007 12 0 "[ . 1 . 2]" 1
360 1 23 ILE HG13 1 49 VAL MG2 . . 5.010 4.152 3.125 5.013 0.003 17 0 "[ . 1 . 2]" 1
361 1 23 ILE MG 1 24 ALA H . . 3.680 2.271 2.050 2.402 . 0 0 "[ . 1 . 2]" 1
362 1 23 ILE MG 1 24 ALA HA . . 3.910 3.134 3.063 3.286 . 0 0 "[ . 1 . 2]" 1
363 1 23 ILE MG 1 24 ALA MB . . 4.100 3.222 3.110 3.320 . 0 0 "[ . 1 . 2]" 1
364 1 23 ILE MG 1 27 ALA MB . . 4.580 4.259 3.962 4.307 . 0 0 "[ . 1 . 2]" 1
365 1 23 ILE MG 1 34 PRO HA . . 5.120 4.515 3.607 4.715 . 0 0 "[ . 1 . 2]" 1
366 1 23 ILE MG 1 34 PRO HB2 . . 4.420 3.301 2.419 3.619 . 0 0 "[ . 1 . 2]" 1
367 1 23 ILE MG 1 34 PRO QB . . 3.830 2.779 2.146 2.993 . 0 0 "[ . 1 . 2]" 1
368 1 23 ILE MG 1 34 PRO HB3 . . 4.420 2.994 2.399 3.239 . 0 0 "[ . 1 . 2]" 1
369 1 23 ILE MG 1 34 PRO HG2 . . 5.160 4.874 4.317 5.164 0.004 19 0 "[ . 1 . 2]" 1
370 1 23 ILE MG 1 49 VAL QG . . 5.440 4.695 4.057 5.019 . 0 0 "[ . 1 . 2]" 1
371 1 24 ALA H 1 24 ALA MB . . 3.060 2.134 2.068 2.238 . 0 0 "[ . 1 . 2]" 1
372 1 24 ALA H 1 25 SER H . . 3.650 2.719 2.644 2.762 . 0 0 "[ . 1 . 2]" 1
373 1 24 ALA H 1 26 VAL H . . 5.100 4.021 3.939 4.116 . 0 0 "[ . 1 . 2]" 1
374 1 24 ALA HA 1 26 VAL H . . 4.640 4.131 4.037 4.271 . 0 0 "[ . 1 . 2]" 1
375 1 24 ALA HA 1 27 ALA MB . . 3.510 3.112 2.861 3.323 . 0 0 "[ . 1 . 2]" 1
376 1 24 ALA HA 1 28 GLN H . . 4.480 4.189 3.890 4.485 0.005 19 0 "[ . 1 . 2]" 1
377 1 24 ALA HA 1 34 PRO HG2 . . 5.500 5.371 4.781 5.505 0.005 16 0 "[ . 1 . 2]" 1
378 1 24 ALA MB 1 25 SER H . . 4.350 2.606 2.503 2.694 . 0 0 "[ . 1 . 2]" 1
379 1 24 ALA MB 1 34 PRO QB . . 4.790 4.025 3.536 4.264 . 0 0 "[ . 1 . 2]" 1
380 1 24 ALA MB 1 34 PRO HD3 . . 5.500 4.727 4.286 4.913 . 0 0 "[ . 1 . 2]" 1
381 1 24 ALA MB 1 34 PRO HG3 . . 4.410 4.079 3.380 4.191 . 0 0 "[ . 1 . 2]" 1
382 1 25 SER H 1 25 SER QB . . 3.700 2.415 2.251 2.603 . 0 0 "[ . 1 . 2]" 1
383 1 25 SER H 1 26 VAL H . . 3.440 2.608 2.525 2.643 . 0 0 "[ . 1 . 2]" 1
384 1 25 SER H 1 26 VAL HB . . 5.160 4.919 4.792 5.046 . 0 0 "[ . 1 . 2]" 1
385 1 25 SER HA 1 28 GLN QB . . 3.970 2.841 2.367 3.828 . 0 0 "[ . 1 . 2]" 1
386 1 25 SER HA 1 28 GLN QG . . 4.790 3.656 1.918 4.654 . 0 0 "[ . 1 . 2]" 1
387 1 26 VAL H 1 26 VAL MG2 . . 3.270 2.228 1.985 2.361 . 0 0 "[ . 1 . 2]" 1
388 1 26 VAL H 1 27 ALA H . . 3.450 2.653 2.560 2.728 . 0 0 "[ . 1 . 2]" 1
389 1 26 VAL H 1 27 ALA MB . . 4.580 4.259 4.154 4.322 . 0 0 "[ . 1 . 2]" 1
390 1 26 VAL H 1 28 GLN H . . 5.100 4.091 3.905 4.271 . 0 0 "[ . 1 . 2]" 1
391 1 26 VAL HA 1 26 VAL MG1 . . 3.660 2.386 2.325 2.404 . 0 0 "[ . 1 . 2]" 1
392 1 26 VAL HA 1 26 VAL MG2 . . 3.690 2.351 2.271 2.432 . 0 0 "[ . 1 . 2]" 1
393 1 26 VAL HA 1 29 HIS H . . 4.260 3.661 3.553 3.758 . 0 0 "[ . 1 . 2]" 1
394 1 26 VAL HA 1 29 HIS QB . . 4.580 2.817 2.602 3.076 . 0 0 "[ . 1 . 2]" 1
395 1 26 VAL HB 1 27 ALA H . . 3.570 2.502 2.359 2.692 . 0 0 "[ . 1 . 2]" 1
396 1 26 VAL HB 1 37 LEU QD . . 4.130 3.050 2.501 3.375 . 0 0 "[ . 1 . 2]" 1
397 1 26 VAL MG1 1 27 ALA H . . 4.130 3.399 3.247 3.579 . 0 0 "[ . 1 . 2]" 1
398 1 26 VAL MG1 1 29 HIS QB . . 4.710 3.759 3.490 3.930 . 0 0 "[ . 1 . 2]" 1
399 1 26 VAL MG1 1 37 LEU QD . . 3.530 1.980 1.836 2.378 . 0 0 "[ . 1 . 2]" 1
400 1 26 VAL MG1 1 49 VAL HB . . 5.500 5.506 5.197 5.554 0.054 16 0 "[ . 1 . 2]" 1
401 1 26 VAL MG1 1 49 VAL QG . . 4.600 3.391 3.082 4.217 . 0 0 "[ . 1 . 2]" 1
402 1 26 VAL MG2 1 49 VAL QG . . 4.500 3.585 3.136 4.478 . 0 0 "[ . 1 . 2]" 1
403 1 27 ALA H 1 27 ALA MB . . 3.250 2.061 2.040 2.145 . 0 0 "[ . 1 . 2]" 1
404 1 27 ALA H 1 37 LEU QD . . 4.260 3.160 2.887 3.437 . 0 0 "[ . 1 . 2]" 1
405 1 27 ALA HA 1 30 VAL H . . 4.730 3.580 3.493 3.636 . 0 0 "[ . 1 . 2]" 1
406 1 27 ALA HA 1 30 VAL MG2 . . 3.450 2.208 2.043 2.339 . 0 0 "[ . 1 . 2]" 1
407 1 27 ALA HA 1 32 LEU H . . 4.660 4.005 3.883 4.122 . 0 0 "[ . 1 . 2]" 1
408 1 27 ALA HA 1 37 LEU MD1 . . 4.710 3.274 1.943 4.181 . 0 0 "[ . 1 . 2]" 1
409 1 27 ALA HA 1 37 LEU QD . . 3.440 1.935 1.874 2.062 . 0 0 "[ . 1 . 2]" 1
410 1 27 ALA HA 1 37 LEU MD2 . . 4.710 2.063 1.885 2.827 . 0 0 "[ . 1 . 2]" 1
411 1 27 ALA MB 1 28 GLN H . . 3.540 2.607 2.410 2.784 . 0 0 "[ . 1 . 2]" 1
412 1 27 ALA MB 1 34 PRO HA . . 3.510 2.140 1.925 2.469 . 0 0 "[ . 1 . 2]" 1
413 1 27 ALA MB 1 34 PRO HB2 . . 4.510 3.886 3.715 4.046 . 0 0 "[ . 1 . 2]" 1
414 1 27 ALA MB 1 34 PRO QB . . 3.840 2.601 2.429 2.710 . 0 0 "[ . 1 . 2]" 1
415 1 27 ALA MB 1 34 PRO HB3 . . 4.510 2.642 2.462 2.757 . 0 0 "[ . 1 . 2]" 1
416 1 27 ALA MB 1 34 PRO HD2 . . 4.890 3.801 3.733 3.847 . 0 0 "[ . 1 . 2]" 1
417 1 27 ALA MB 1 34 PRO HD3 . . 4.450 2.698 2.586 2.792 . 0 0 "[ . 1 . 2]" 1
418 1 27 ALA MB 1 34 PRO HG3 . . 4.540 3.914 3.731 3.996 . 0 0 "[ . 1 . 2]" 1
419 1 27 ALA MB 1 37 LEU HB3 . . 4.670 2.811 2.255 3.280 . 0 0 "[ . 1 . 2]" 1
420 1 27 ALA MB 1 37 LEU QD . . 4.170 2.356 2.163 2.779 . 0 0 "[ . 1 . 2]" 1
421 1 28 GLN H 1 28 GLN QB . . 3.140 2.301 2.231 2.539 . 0 0 "[ . 1 . 2]" 1
422 1 28 GLN H 1 28 GLN QG . . 4.410 3.505 1.994 4.018 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLN H 1 29 HIS H . . 3.720 2.656 2.625 2.670 . 0 0 "[ . 1 . 2]" 1
424 1 28 GLN HA 1 28 GLN QG . . 3.620 2.806 2.438 3.450 . 0 0 "[ . 1 . 2]" 1
425 1 28 GLN HA 1 30 VAL MG2 . . 5.160 4.366 4.330 4.388 . 0 0 "[ . 1 . 2]" 1
426 1 28 GLN HA 1 32 LEU H . . 4.700 3.225 3.001 3.406 . 0 0 "[ . 1 . 2]" 1
427 1 28 GLN QB 1 29 HIS H . . 4.100 2.875 2.669 3.468 . 0 0 "[ . 1 . 2]" 1
428 1 28 GLN QG 1 29 HIS HA . . 5.110 3.504 3.221 3.656 . 0 0 "[ . 1 . 2]" 1
429 1 28 GLN QG 1 29 HIS QB . . 4.610 4.182 3.186 4.583 . 0 0 "[ . 1 . 2]" 1
430 1 29 HIS H 1 30 VAL H . . 3.550 2.701 2.663 2.717 . 0 0 "[ . 1 . 2]" 1
431 1 29 HIS H 1 30 VAL MG1 . . 4.800 4.418 4.300 4.613 . 0 0 "[ . 1 . 2]" 1
432 1 29 HIS HA 1 29 HIS HE1 . . 4.990 4.882 4.867 4.953 . 0 0 "[ . 1 . 2]" 1
433 1 29 HIS HA 1 30 VAL MG1 . . 4.940 4.661 4.584 4.774 . 0 0 "[ . 1 . 2]" 1
434 1 29 HIS QB 1 29 HIS HD2 . . 3.390 2.642 2.631 2.646 . 0 0 "[ . 1 . 2]" 1
435 1 29 HIS QB 1 30 VAL HA . . 5.320 4.454 4.433 4.509 . 0 0 "[ . 1 . 2]" 1
436 1 29 HIS QB 1 30 VAL MG1 . . 4.460 3.067 2.959 3.277 . 0 0 "[ . 1 . 2]" 1
437 1 29 HIS QB 1 30 VAL MG2 . . 5.340 3.789 3.589 3.893 . 0 0 "[ . 1 . 2]" 1
438 1 29 HIS HB2 1 29 HIS HD2 . . 3.910 3.479 3.463 3.552 . 0 0 "[ . 1 . 2]" 1
439 1 29 HIS HB3 1 29 HIS HD2 . . 3.910 2.738 2.712 2.746 . 0 0 "[ . 1 . 2]" 1
440 1 29 HIS HD2 1 30 VAL HA . . 5.390 5.277 5.105 5.323 . 0 0 "[ . 1 . 2]" 1
441 1 29 HIS HD2 1 30 VAL MG1 . . 3.220 3.188 2.961 3.233 0.013 5 0 "[ . 1 . 2]" 1
442 1 29 HIS HE1 1 30 VAL HA . . 5.500 5.518 5.511 5.525 0.025 16 0 "[ . 1 . 2]" 1
443 1 29 HIS HE1 1 30 VAL MG1 . . 5.330 5.056 4.880 5.181 . 0 0 "[ . 1 . 2]" 1
444 1 30 VAL H 1 30 VAL MG2 . . 3.320 2.035 1.903 2.092 . 0 0 "[ . 1 . 2]" 1
445 1 30 VAL H 1 31 CYS H . . 3.390 2.588 2.536 2.658 . 0 0 "[ . 1 . 2]" 1
446 1 30 VAL H 1 31 CYS HA . . 4.670 4.626 4.589 4.662 . 0 0 "[ . 1 . 2]" 1
447 1 30 VAL H 1 32 LEU H . . 4.730 3.450 3.372 3.562 . 0 0 "[ . 1 . 2]" 1
448 1 30 VAL HA 1 30 VAL MG1 . . 3.140 2.373 2.282 2.426 . 0 0 "[ . 1 . 2]" 1
449 1 30 VAL HA 1 31 CYS QB . . 5.500 4.057 3.882 4.245 . 0 0 "[ . 1 . 2]" 1
450 1 30 VAL MG2 1 31 CYS H . . 4.180 3.323 3.203 3.419 . 0 0 "[ . 1 . 2]" 1
451 1 30 VAL MG2 1 32 LEU H . . 3.630 2.271 2.138 2.457 . 0 0 "[ . 1 . 2]" 1
452 1 30 VAL MG2 1 32 LEU HB2 . . 3.980 2.140 1.917 2.608 . 0 0 "[ . 1 . 2]" 1
453 1 30 VAL MG2 1 32 LEU QB . . 3.420 1.945 1.871 2.085 . 0 0 "[ . 1 . 2]" 1
454 1 30 VAL MG2 1 32 LEU HB3 . . 3.980 2.493 1.931 3.077 . 0 0 "[ . 1 . 2]" 1
455 1 30 VAL MG2 1 32 LEU QD . . 3.500 3.025 2.855 3.434 . 0 0 "[ . 1 . 2]" 1
456 1 30 VAL MG2 1 37 LEU HA . . 5.180 4.482 4.304 4.631 . 0 0 "[ . 1 . 2]" 1
457 1 30 VAL MG2 1 37 LEU HB2 . . 4.280 3.063 2.808 3.287 . 0 0 "[ . 1 . 2]" 1
458 1 31 CYS H 1 32 LEU H . . 3.570 2.799 2.792 2.822 . 0 0 "[ . 1 . 2]" 1
459 1 31 CYS HA 1 32 LEU H . . 3.420 2.830 2.784 2.845 . 0 0 "[ . 1 . 2]" 1
460 1 31 CYS QB 1 32 LEU H . . 4.700 3.847 3.830 3.873 . 0 0 "[ . 1 . 2]" 1
461 1 32 LEU H 1 32 LEU QB . . 3.400 2.606 2.535 2.668 . 0 0 "[ . 1 . 2]" 1
462 1 32 LEU H 1 32 LEU HG . . 4.770 4.543 3.974 4.828 0.058 17 0 "[ . 1 . 2]" 1
463 1 32 LEU HA 1 32 LEU MD1 . . 4.600 2.891 1.969 3.792 . 0 0 "[ . 1 . 2]" 1
464 1 32 LEU HA 1 32 LEU QD . . 3.110 2.313 1.909 2.938 . 0 0 "[ . 1 . 2]" 1
465 1 32 LEU HA 1 32 LEU MD2 . . 4.600 3.064 1.961 3.828 . 0 0 "[ . 1 . 2]" 1
466 1 32 LEU HA 1 32 LEU HG . . 4.190 2.687 2.171 3.625 . 0 0 "[ . 1 . 2]" 1
467 1 32 LEU HA 1 33 SER H . . 3.130 2.403 2.353 2.412 . 0 0 "[ . 1 . 2]" 1
468 1 32 LEU QB 1 33 SER H . . 3.660 2.912 2.506 3.240 . 0 0 "[ . 1 . 2]" 1
469 1 32 LEU QB 1 36 ARG QB . . 4.720 3.937 3.409 4.317 . 0 0 "[ . 1 . 2]" 1
470 1 32 LEU QB 1 37 LEU H . . 4.870 4.061 3.709 4.473 . 0 0 "[ . 1 . 2]" 1
471 1 32 LEU QB 1 37 LEU HB2 . . 4.350 2.663 2.403 3.202 . 0 0 "[ . 1 . 2]" 1
472 1 32 LEU QB 1 37 LEU HB3 . . 5.270 4.075 3.849 4.376 . 0 0 "[ . 1 . 2]" 1
473 1 32 LEU QD 1 33 SER H . . 4.170 2.221 1.889 3.065 . 0 0 "[ . 1 . 2]" 1
474 1 32 LEU QD 1 36 ARG QB . . 3.780 2.225 1.777 3.022 . 0 0 "[ . 1 . 2]" 1
475 1 32 LEU QD 1 36 ARG QD . . 4.340 3.418 1.966 4.182 . 0 0 "[ . 1 . 2]" 1
476 1 32 LEU QD 1 36 ARG QG . . 3.310 2.757 1.889 3.297 . 0 0 "[ . 1 . 2]" 1
477 1 32 LEU QD 1 37 LEU H . . 4.660 3.261 2.445 4.052 . 0 0 "[ . 1 . 2]" 1
478 1 32 LEU QD 1 37 LEU HA . . 3.700 3.048 2.457 3.756 0.056 13 0 "[ . 1 . 2]" 1
479 1 32 LEU MD1 1 36 ARG QB . . 4.490 3.386 1.932 4.245 . 0 0 "[ . 1 . 2]" 1
480 1 32 LEU MD2 1 36 ARG QB . . 4.490 2.538 1.782 4.516 0.026 12 0 "[ . 1 . 2]" 1
481 1 33 SER H 1 36 ARG H . . 5.190 4.464 4.364 4.574 . 0 0 "[ . 1 . 2]" 1
482 1 33 SER H 1 36 ARG QB . . 3.820 3.149 3.068 3.255 . 0 0 "[ . 1 . 2]" 1
483 1 34 PRO HA 1 37 LEU HB2 . . 4.830 4.040 3.768 4.187 . 0 0 "[ . 1 . 2]" 1
484 1 34 PRO HA 1 37 LEU HB3 . . 4.160 2.647 2.439 2.864 . 0 0 "[ . 1 . 2]" 1
485 1 34 PRO HA 1 37 LEU MD1 . . 5.500 5.055 4.471 5.332 . 0 0 "[ . 1 . 2]" 1
486 1 34 PRO HA 1 37 LEU QD . . 4.520 2.930 2.593 3.387 . 0 0 "[ . 1 . 2]" 1
487 1 34 PRO HA 1 37 LEU MD2 . . 5.500 2.949 2.609 3.426 . 0 0 "[ . 1 . 2]" 1
488 1 34 PRO QB 1 35 SER H . . 3.880 3.070 3.043 3.124 . 0 0 "[ . 1 . 2]" 1
489 1 34 PRO HD3 1 35 SER H . . 3.890 3.838 3.835 3.840 . 0 0 "[ . 1 . 2]" 1
490 1 34 PRO HG2 1 35 SER HA . . 5.500 4.228 4.208 4.240 . 0 0 "[ . 1 . 2]" 1
491 1 35 SER H 1 36 ARG H . . 3.910 2.662 2.628 2.699 . 0 0 "[ . 1 . 2]" 1
492 1 36 ARG H 1 36 ARG QB . . 3.110 2.237 2.118 2.521 . 0 0 "[ . 1 . 2]" 1
493 1 36 ARG H 1 36 ARG QG . . 4.460 3.360 2.066 4.057 . 0 0 "[ . 1 . 2]" 1
494 1 36 ARG H 1 37 LEU H . . 3.490 2.595 2.523 2.694 . 0 0 "[ . 1 . 2]" 1
495 1 36 ARG HA 1 36 ARG HD2 . . 3.970 3.363 2.159 3.893 . 0 0 "[ . 1 . 2]" 1
496 1 36 ARG HA 1 36 ARG QD . . 3.480 2.444 1.987 3.248 . 0 0 "[ . 1 . 2]" 1
497 1 36 ARG HA 1 36 ARG HD3 . . 3.970 2.726 1.999 4.088 0.118 14 0 "[ . 1 . 2]" 1
498 1 36 ARG HA 1 36 ARG QG . . 3.380 2.577 2.118 2.980 . 0 0 "[ . 1 . 2]" 1
499 1 36 ARG HA 1 39 HIS H . . 3.810 3.639 3.506 3.700 . 0 0 "[ . 1 . 2]" 1
500 1 36 ARG HA 1 39 HIS QB . . 3.750 2.901 2.823 3.105 . 0 0 "[ . 1 . 2]" 1
501 1 36 ARG HA 1 40 LEU H . . 4.790 4.475 4.330 4.706 . 0 0 "[ . 1 . 2]" 1
502 1 36 ARG QD 1 40 LEU QD . . 5.170 3.767 1.985 5.175 0.005 14 0 "[ . 1 . 2]" 1
503 1 37 LEU H 1 37 LEU HB2 . . 3.390 2.667 2.601 2.752 . 0 0 "[ . 1 . 2]" 1
504 1 37 LEU H 1 37 LEU HB3 . . 3.160 2.365 2.294 2.411 . 0 0 "[ . 1 . 2]" 1
505 1 37 LEU H 1 37 LEU QD . . 4.350 3.697 3.650 3.751 . 0 0 "[ . 1 . 2]" 1
506 1 37 LEU H 1 37 LEU HG . . 5.330 4.394 4.318 4.419 . 0 0 "[ . 1 . 2]" 1
507 1 37 LEU HA 1 37 LEU QD . . 3.390 2.527 2.205 3.052 . 0 0 "[ . 1 . 2]" 1
508 1 37 LEU HA 1 37 LEU HG . . 3.910 3.035 2.756 3.356 . 0 0 "[ . 1 . 2]" 1
509 1 37 LEU HA 1 39 HIS QB . . 5.500 4.833 4.757 4.929 . 0 0 "[ . 1 . 2]" 1
510 1 37 LEU HA 1 40 LEU QB . . 3.940 3.167 2.996 3.434 . 0 0 "[ . 1 . 2]" 1
511 1 37 LEU HA 1 40 LEU QD . . 4.020 3.400 2.771 4.062 0.042 13 0 "[ . 1 . 2]" 1
512 1 37 LEU HA 1 41 PHE QD . . 4.490 4.569 4.533 4.626 0.136 9 0 "[ . 1 . 2]" 1
513 1 37 LEU HB2 1 37 LEU MD1 . . 3.590 2.124 2.010 2.384 . 0 0 "[ . 1 . 2]" 1
514 1 37 LEU HB2 1 37 LEU QD . . 3.120 2.022 1.960 2.119 . 0 0 "[ . 1 . 2]" 1
515 1 37 LEU HB2 1 37 LEU MD2 . . 3.590 2.605 2.297 2.932 . 0 0 "[ . 1 . 2]" 1
516 1 37 LEU HB2 1 38 SER H . . 4.060 3.919 3.883 3.963 . 0 0 "[ . 1 . 2]" 1
517 1 37 LEU HB3 1 38 SER H . . 3.570 2.567 2.529 2.661 . 0 0 "[ . 1 . 2]" 1
518 1 37 LEU HB3 1 38 SER HA . . 4.760 4.365 4.308 4.460 . 0 0 "[ . 1 . 2]" 1
519 1 37 LEU QD 1 38 SER H . . 4.190 3.614 3.049 3.852 . 0 0 "[ . 1 . 2]" 1
520 1 37 LEU QD 1 38 SER HA . . 5.440 3.855 2.927 4.129 . 0 0 "[ . 1 . 2]" 1
521 1 37 LEU QD 1 41 PHE H . . 4.840 4.134 3.508 4.468 . 0 0 "[ . 1 . 2]" 1
522 1 37 LEU QD 1 41 PHE HA . . 5.140 4.526 4.087 4.926 . 0 0 "[ . 1 . 2]" 1
523 1 37 LEU QD 1 41 PHE HB2 . . 4.370 3.549 3.159 3.724 . 0 0 "[ . 1 . 2]" 1
524 1 37 LEU QD 1 41 PHE QD . . 3.550 2.431 1.926 2.799 . 0 0 "[ . 1 . 2]" 1
525 1 37 LEU QD 1 41 PHE QE . . 3.440 3.003 2.622 3.185 . 0 0 "[ . 1 . 2]" 1
526 1 37 LEU QD 1 49 VAL QG . . 3.840 3.699 3.239 3.890 0.050 18 0 "[ . 1 . 2]" 1
527 1 37 LEU MD1 1 38 SER H . . 5.150 4.564 4.212 4.725 . 0 0 "[ . 1 . 2]" 1
528 1 37 LEU MD1 1 41 PHE QE . . 3.940 3.226 2.684 3.495 . 0 0 "[ . 1 . 2]" 1
529 1 37 LEU MD2 1 38 SER H . . 5.150 3.821 3.088 4.246 . 0 0 "[ . 1 . 2]" 1
530 1 37 LEU MD2 1 41 PHE QE . . 3.940 3.632 3.479 3.901 . 0 0 "[ . 1 . 2]" 1
531 1 37 LEU HG 1 38 SER H . . 5.000 3.613 3.344 3.822 . 0 0 "[ . 1 . 2]" 1
532 1 37 LEU HG 1 41 PHE QD . . 4.010 2.477 2.294 2.712 . 0 0 "[ . 1 . 2]" 1
533 1 37 LEU HG 1 41 PHE QE . . 4.230 4.121 4.015 4.259 0.029 17 0 "[ . 1 . 2]" 1
534 1 37 LEU HG 1 49 VAL QG . . 4.760 4.540 4.134 4.799 0.039 20 0 "[ . 1 . 2]" 1
535 1 38 SER H 1 39 HIS H . . 3.590 2.701 2.686 2.714 . 0 0 "[ . 1 . 2]" 1
536 1 38 SER HA 1 41 PHE H . . 4.320 3.359 3.338 3.370 . 0 0 "[ . 1 . 2]" 1
537 1 38 SER HA 1 41 PHE HB2 . . 4.480 2.382 2.310 2.486 . 0 0 "[ . 1 . 2]" 1
538 1 38 SER HA 1 41 PHE HB3 . . 4.660 2.964 2.872 3.021 . 0 0 "[ . 1 . 2]" 1
539 1 38 SER HA 1 49 VAL QG . . 3.850 3.435 3.169 3.896 0.046 18 0 "[ . 1 . 2]" 1
540 1 39 HIS H 1 40 LEU H . . 3.340 2.782 2.775 2.791 . 0 0 "[ . 1 . 2]" 1
541 1 39 HIS H 1 40 LEU QD . . 5.440 4.905 4.544 5.500 0.060 13 0 "[ . 1 . 2]" 1
542 1 39 HIS HA 1 39 HIS HD2 . . 4.160 3.983 3.881 4.105 . 0 0 "[ . 1 . 2]" 1
543 1 39 HIS HA 1 42 ARG H . . 4.460 3.912 3.720 3.964 . 0 0 "[ . 1 . 2]" 1
544 1 39 HIS HA 1 42 ARG QB . . 4.070 3.498 3.044 3.680 . 0 0 "[ . 1 . 2]" 1
545 1 39 HIS HA 1 43 GLN H . . 5.050 4.592 4.145 4.917 . 0 0 "[ . 1 . 2]" 1
546 1 39 HIS QB 1 39 HIS HD2 . . 3.390 2.859 2.839 2.894 . 0 0 "[ . 1 . 2]" 1
547 1 39 HIS QB 1 39 HIS HE1 . . 4.410 4.402 4.394 4.407 . 0 0 "[ . 1 . 2]" 1
548 1 39 HIS QB 1 40 LEU HA . . 5.500 4.144 4.106 4.219 . 0 0 "[ . 1 . 2]" 1
549 1 39 HIS QB 1 40 LEU HG . . 4.930 3.290 2.926 4.275 . 0 0 "[ . 1 . 2]" 1
550 1 39 HIS HD2 1 40 LEU HA . . 3.910 2.983 2.849 3.114 . 0 0 "[ . 1 . 2]" 1
551 1 39 HIS HD2 1 40 LEU MD1 . . 4.950 4.764 4.411 4.915 . 0 0 "[ . 1 . 2]" 1
552 1 39 HIS HD2 1 40 LEU QD . . 4.320 2.450 2.006 3.672 . 0 0 "[ . 1 . 2]" 1
553 1 39 HIS HD2 1 40 LEU MD2 . . 4.950 2.475 2.008 3.927 . 0 0 "[ . 1 . 2]" 1
554 1 39 HIS HD2 1 40 LEU HG . . 3.960 3.555 3.011 3.845 . 0 0 "[ . 1 . 2]" 1
555 1 40 LEU H 1 40 LEU HB2 . . 3.800 2.441 2.075 2.704 . 0 0 "[ . 1 . 2]" 1
556 1 40 LEU H 1 40 LEU QB . . 3.140 2.398 2.056 2.629 . 0 0 "[ . 1 . 2]" 1
557 1 40 LEU H 1 40 LEU HB3 . . 3.800 3.552 3.349 3.597 . 0 0 "[ . 1 . 2]" 1
558 1 40 LEU H 1 40 LEU MD1 . . 4.770 3.682 3.329 4.004 . 0 0 "[ . 1 . 2]" 1
559 1 40 LEU H 1 40 LEU QD . . 3.910 3.114 2.841 3.569 . 0 0 "[ . 1 . 2]" 1
560 1 40 LEU H 1 40 LEU MD2 . . 4.770 3.397 2.999 4.259 . 0 0 "[ . 1 . 2]" 1
561 1 40 LEU H 1 41 PHE H . . 3.600 2.507 2.492 2.520 . 0 0 "[ . 1 . 2]" 1
562 1 40 LEU H 1 41 PHE QD . . 5.500 5.592 5.518 5.657 0.157 9 0 "[ . 1 . 2]" 1
563 1 40 LEU HA 1 40 LEU MD1 . . 4.410 3.863 3.766 3.979 . 0 0 "[ . 1 . 2]" 1
564 1 40 LEU HA 1 40 LEU QD . . 3.140 2.177 1.948 2.512 . 0 0 "[ . 1 . 2]" 1
565 1 40 LEU HA 1 40 LEU MD2 . . 4.410 2.190 1.954 2.540 . 0 0 "[ . 1 . 2]" 1
566 1 40 LEU HA 1 40 LEU HG . . 4.120 3.084 2.464 3.301 . 0 0 "[ . 1 . 2]" 1
567 1 40 LEU HA 1 43 GLN HB2 . . 4.250 2.976 2.156 4.302 0.052 17 0 "[ . 1 . 2]" 1
568 1 40 LEU HA 1 43 GLN QB . . 3.690 2.375 2.142 3.230 . 0 0 "[ . 1 . 2]" 1
569 1 40 LEU HA 1 43 GLN HB3 . . 4.250 2.788 2.331 3.818 . 0 0 "[ . 1 . 2]" 1
570 1 40 LEU HA 1 43 GLN QG . . 4.940 3.824 2.872 4.988 0.048 17 0 "[ . 1 . 2]" 1
571 1 40 LEU HA 1 44 GLN QG . . 5.130 3.703 3.195 4.623 . 0 0 "[ . 1 . 2]" 1
572 1 40 LEU QB 1 40 LEU QD . . 2.820 1.901 1.804 1.939 . 0 0 "[ . 1 . 2]" 1
573 1 40 LEU QB 1 41 PHE HA . . 4.760 3.868 3.807 3.899 . 0 0 "[ . 1 . 2]" 1
574 1 40 LEU HB2 1 40 LEU MD1 . . 3.630 2.276 2.070 2.428 . 0 0 "[ . 1 . 2]" 1
575 1 40 LEU HB2 1 40 LEU MD2 . . 3.630 3.185 3.152 3.194 . 0 0 "[ . 1 . 2]" 1
576 1 40 LEU HB2 1 41 PHE H . . 4.010 2.873 2.794 3.159 . 0 0 "[ . 1 . 2]" 1
577 1 40 LEU HB3 1 40 LEU MD1 . . 3.630 2.363 2.252 2.553 . 0 0 "[ . 1 . 2]" 1
578 1 40 LEU HB3 1 40 LEU MD2 . . 3.630 2.292 2.099 2.412 . 0 0 "[ . 1 . 2]" 1
579 1 40 LEU HB3 1 41 PHE H . . 4.010 3.769 3.277 3.999 . 0 0 "[ . 1 . 2]" 1
580 1 40 LEU QD 1 43 GLN QB . . 4.730 3.261 2.675 3.914 . 0 0 "[ . 1 . 2]" 1
581 1 40 LEU QD 1 44 GLN QE . . 3.800 3.490 2.358 3.804 0.004 15 0 "[ . 1 . 2]" 1
582 1 40 LEU QD 1 44 GLN QG . . 3.960 3.374 2.230 3.887 . 0 0 "[ . 1 . 2]" 1
583 1 40 LEU MD1 1 44 GLN HG2 . . 5.500 4.957 4.221 5.271 . 0 0 "[ . 1 . 2]" 1
584 1 40 LEU MD1 1 44 GLN HG3 . . 5.500 4.799 4.346 5.546 0.046 13 0 "[ . 1 . 2]" 1
585 1 40 LEU MD2 1 44 GLN HG2 . . 5.500 3.814 2.750 4.527 . 0 0 "[ . 1 . 2]" 1
586 1 40 LEU MD2 1 44 GLN HG3 . . 5.500 4.408 2.340 5.259 . 0 0 "[ . 1 . 2]" 1
587 1 41 PHE H 1 41 PHE HB2 . . 3.260 2.112 2.102 2.125 . 0 0 "[ . 1 . 2]" 1
588 1 41 PHE H 1 41 PHE HB3 . . 3.620 3.085 3.050 3.105 . 0 0 "[ . 1 . 2]" 1
589 1 41 PHE H 1 41 PHE QD . . 3.970 3.689 3.641 3.746 . 0 0 "[ . 1 . 2]" 1
590 1 41 PHE H 1 42 ARG H . . 3.810 2.770 2.622 2.817 . 0 0 "[ . 1 . 2]" 1
591 1 41 PHE HA 1 41 PHE QD . . 3.740 2.981 2.929 3.004 . 0 0 "[ . 1 . 2]" 1
592 1 41 PHE HA 1 44 GLN H . . 4.750 3.566 3.370 3.659 . 0 0 "[ . 1 . 2]" 1
593 1 41 PHE HA 1 45 LEU H . . 5.000 3.606 3.396 3.656 . 0 0 "[ . 1 . 2]" 1
594 1 41 PHE HA 1 45 LEU HB3 . . 5.500 5.385 4.947 5.729 0.229 11 0 "[ . 1 . 2]" 1
595 1 41 PHE HA 1 45 LEU QD . . 5.370 3.696 2.293 4.187 . 0 0 "[ . 1 . 2]" 1
596 1 41 PHE HB2 1 42 ARG H . . 4.100 3.287 3.210 3.462 . 0 0 "[ . 1 . 2]" 1
597 1 41 PHE HB2 1 49 VAL QG . . 4.430 3.643 3.347 4.459 0.029 20 0 "[ . 1 . 2]" 1
598 1 41 PHE HB3 1 42 ARG H . . 3.830 2.527 2.474 2.931 . 0 0 "[ . 1 . 2]" 1
599 1 41 PHE HB3 1 49 VAL HA . . 5.190 4.884 4.432 5.178 . 0 0 "[ . 1 . 2]" 1
600 1 41 PHE HB3 1 49 VAL QG . . 4.380 2.951 2.606 4.045 . 0 0 "[ . 1 . 2]" 1
601 1 41 PHE QD 1 42 ARG H . . 5.180 4.222 4.140 4.541 . 0 0 "[ . 1 . 2]" 1
602 1 41 PHE QD 1 45 LEU HB2 . . 3.840 3.177 2.955 3.522 . 0 0 "[ . 1 . 2]" 1
603 1 41 PHE QD 1 45 LEU MD1 . . 4.420 2.782 2.326 4.382 . 0 0 "[ . 1 . 2]" 1
604 1 41 PHE QD 1 45 LEU MD2 . . 4.420 4.088 2.598 4.493 0.073 14 0 "[ . 1 . 2]" 1
605 1 41 PHE QD 1 47 ILE H . . 5.090 5.147 5.007 5.251 0.161 10 0 "[ . 1 . 2]" 1
606 1 41 PHE QD 1 49 VAL H . . 5.170 4.124 3.507 4.620 . 0 0 "[ . 1 . 2]" 1
607 1 41 PHE QD 1 49 VAL QG . . 3.780 2.640 2.296 3.647 . 0 0 "[ . 1 . 2]" 1
608 1 41 PHE QE 1 45 LEU MD1 . . 4.510 2.281 1.986 3.787 . 0 0 "[ . 1 . 2]" 1
609 1 41 PHE QE 1 45 LEU QD . . 3.960 2.153 1.983 2.986 . 0 0 "[ . 1 . 2]" 1
610 1 41 PHE QE 1 45 LEU MD2 . . 4.510 3.935 2.654 4.256 . 0 0 "[ . 1 . 2]" 1
611 1 41 PHE QE 1 49 VAL HA . . 3.700 3.218 2.919 3.611 . 0 0 "[ . 1 . 2]" 1
612 1 41 PHE QE 1 49 VAL QG . . 3.990 2.909 2.559 3.273 . 0 0 "[ . 1 . 2]" 1
613 1 41 PHE QE 1 52 TRP H . . 5.500 5.534 5.493 5.564 0.064 2 0 "[ . 1 . 2]" 1
614 1 41 PHE QE 1 52 TRP HB3 . . 3.710 3.496 3.309 3.650 . 0 0 "[ . 1 . 2]" 1
615 1 41 PHE HZ 1 49 VAL QG . . 4.270 3.627 3.269 4.268 . 0 0 "[ . 1 . 2]" 1
616 1 41 PHE HZ 1 52 TRP HB3 . . 5.500 5.539 5.499 5.576 0.076 9 0 "[ . 1 . 2]" 1
617 1 42 ARG H 1 42 ARG HB2 . . 3.740 2.367 2.067 2.707 . 0 0 "[ . 1 . 2]" 1
618 1 42 ARG H 1 42 ARG QB . . 3.160 2.190 2.043 2.255 . 0 0 "[ . 1 . 2]" 1
619 1 42 ARG H 1 42 ARG HB3 . . 3.740 2.841 2.376 3.524 . 0 0 "[ . 1 . 2]" 1
620 1 42 ARG H 1 42 ARG HG2 . . 4.650 4.333 3.495 4.594 . 0 0 "[ . 1 . 2]" 1
621 1 42 ARG H 1 42 ARG HG3 . . 4.650 4.109 2.980 4.623 . 0 0 "[ . 1 . 2]" 1
622 1 42 ARG H 1 43 GLN H . . 3.650 2.549 2.512 2.721 . 0 0 "[ . 1 . 2]" 1
623 1 42 ARG H 1 48 SER HA . . 5.160 5.125 4.498 5.219 0.059 11 0 "[ . 1 . 2]" 1
624 1 42 ARG HA 1 42 ARG QD . . 3.790 3.728 3.467 3.878 0.088 19 0 "[ . 1 . 2]" 1
625 1 42 ARG HA 1 45 LEU H . . 4.740 3.658 3.621 3.899 . 0 0 "[ . 1 . 2]" 1
626 1 42 ARG HA 1 47 ILE H . . 3.360 2.672 2.438 3.197 . 0 0 "[ . 1 . 2]" 1
627 1 42 ARG QB 1 43 GLN H . . 3.540 2.902 2.566 2.963 . 0 0 "[ . 1 . 2]" 1
628 1 42 ARG QG 1 47 ILE HA . . 4.400 3.091 2.773 3.657 . 0 0 "[ . 1 . 2]" 1
629 1 42 ARG QG 1 48 SER H . . 4.880 3.836 3.291 4.604 . 0 0 "[ . 1 . 2]" 1
630 1 42 ARG HG2 1 47 ILE HA . . 5.200 3.763 2.889 5.067 . 0 0 "[ . 1 . 2]" 1
631 1 42 ARG HG3 1 47 ILE HA . . 5.200 3.831 2.799 5.210 0.010 19 0 "[ . 1 . 2]" 1
632 1 43 GLN H 1 43 GLN QB . . 3.030 2.261 2.204 2.308 . 0 0 "[ . 1 . 2]" 1
633 1 43 GLN H 1 46 GLY H . . 5.220 4.127 4.065 4.254 . 0 0 "[ . 1 . 2]" 1
634 1 43 GLN HA 1 43 GLN HG2 . . 4.090 3.021 2.243 3.781 . 0 0 "[ . 1 . 2]" 1
635 1 43 GLN HA 1 43 GLN QG . . 3.440 2.504 2.219 3.004 . 0 0 "[ . 1 . 2]" 1
636 1 43 GLN HA 1 43 GLN HG3 . . 4.090 3.129 2.291 3.724 . 0 0 "[ . 1 . 2]" 1
637 1 44 GLN H 1 44 GLN HB2 . . 3.640 2.390 2.192 2.526 . 0 0 "[ . 1 . 2]" 1
638 1 44 GLN H 1 44 GLN QB . . 3.130 2.356 2.170 2.481 . 0 0 "[ . 1 . 2]" 1
639 1 44 GLN H 1 44 GLN HB3 . . 3.640 3.587 3.490 3.622 . 0 0 "[ . 1 . 2]" 1
640 1 44 GLN H 1 44 GLN QG . . 3.510 2.555 2.232 3.570 0.060 13 0 "[ . 1 . 2]" 1
641 1 44 GLN H 1 45 LEU H . . 3.510 2.426 2.407 2.574 . 0 0 "[ . 1 . 2]" 1
642 1 44 GLN H 1 46 GLY H . . 4.640 3.529 3.498 3.557 . 0 0 "[ . 1 . 2]" 1
643 1 44 GLN HA 1 44 GLN HG2 . . 3.860 2.866 2.404 3.627 . 0 0 "[ . 1 . 2]" 1
644 1 44 GLN HA 1 44 GLN QG . . 3.330 2.741 2.367 2.920 . 0 0 "[ . 1 . 2]" 1
645 1 44 GLN HA 1 44 GLN HG3 . . 3.860 3.685 2.770 3.826 . 0 0 "[ . 1 . 2]" 1
646 1 44 GLN QB 1 45 LEU H . . 3.840 2.617 2.577 2.710 . 0 0 "[ . 1 . 2]" 1
647 1 44 GLN QB 1 45 LEU HA . . 5.340 3.960 3.921 4.009 . 0 0 "[ . 1 . 2]" 1
648 1 44 GLN QB 1 45 LEU QD . . 4.570 3.532 2.147 4.319 . 0 0 "[ . 1 . 2]" 1
649 1 44 GLN HB2 1 45 LEU H . . 4.380 2.692 2.628 2.856 . 0 0 "[ . 1 . 2]" 1
650 1 44 GLN HB2 1 45 LEU HG . . 5.480 4.882 3.458 5.526 0.046 11 0 "[ . 1 . 2]" 1
651 1 44 GLN HB3 1 45 LEU H . . 4.380 3.606 3.343 3.759 . 0 0 "[ . 1 . 2]" 1
652 1 44 GLN HB3 1 45 LEU HG . . 5.480 5.215 4.243 5.530 0.050 11 0 "[ . 1 . 2]" 1
653 1 44 GLN QG 1 45 LEU H . . 5.140 4.129 3.938 4.561 . 0 0 "[ . 1 . 2]" 1
654 1 45 LEU H 1 45 LEU HB2 . . 3.780 2.272 2.143 2.544 . 0 0 "[ . 1 . 2]" 1
655 1 45 LEU H 1 45 LEU QD . . 5.220 3.257 2.267 3.725 . 0 0 "[ . 1 . 2]" 1
656 1 45 LEU H 1 45 LEU HG . . 4.190 3.814 2.621 4.218 0.028 17 0 "[ . 1 . 2]" 1
657 1 45 LEU H 1 46 GLY H . . 3.400 2.283 2.162 2.308 . 0 0 "[ . 1 . 2]" 1
658 1 45 LEU H 1 46 GLY QA . . 5.300 4.218 4.120 4.244 . 0 0 "[ . 1 . 2]" 1
659 1 45 LEU H 1 47 ILE H . . 4.680 3.813 3.588 3.840 . 0 0 "[ . 1 . 2]" 1
660 1 45 LEU HA 1 45 LEU MD1 . . 4.550 3.376 2.072 3.683 . 0 0 "[ . 1 . 2]" 1
661 1 45 LEU HA 1 45 LEU QD . . 3.530 2.396 1.922 2.798 . 0 0 "[ . 1 . 2]" 1
662 1 45 LEU HA 1 45 LEU MD2 . . 4.550 2.575 1.930 3.536 . 0 0 "[ . 1 . 2]" 1
663 1 45 LEU HA 1 45 LEU HG . . 4.130 2.743 2.168 3.709 . 0 0 "[ . 1 . 2]" 1
664 1 45 LEU HB2 1 46 GLY H . . 4.450 3.501 3.122 3.728 . 0 0 "[ . 1 . 2]" 1
665 1 45 LEU HB2 1 47 ILE H . . 3.940 3.302 2.459 3.697 . 0 0 "[ . 1 . 2]" 1
666 1 45 LEU HB3 1 46 GLY H . . 4.910 3.616 3.341 4.113 . 0 0 "[ . 1 . 2]" 1
667 1 45 LEU HB3 1 47 ILE H . . 3.870 2.600 2.268 3.302 . 0 0 "[ . 1 . 2]" 1
668 1 45 LEU HB3 1 47 ILE MD . . 3.800 3.562 1.968 3.849 0.049 20 0 "[ . 1 . 2]" 1
669 1 45 LEU QD 1 47 ILE MD . . 4.490 2.498 1.880 4.143 . 0 0 "[ . 1 . 2]" 1
670 1 45 LEU QD 1 52 TRP HB3 . . 5.440 3.074 2.734 4.352 . 0 0 "[ . 1 . 2]" 1
671 1 45 LEU QD 1 52 TRP HD1 . . 3.930 2.163 1.889 2.905 . 0 0 "[ . 1 . 2]" 1
672 1 45 LEU MD1 1 52 TRP HD1 . . 4.510 2.958 2.068 4.432 . 0 0 "[ . 1 . 2]" 1
673 1 45 LEU MD2 1 52 TRP HD1 . . 4.510 2.828 1.914 4.527 0.017 15 0 "[ . 1 . 2]" 1
674 1 45 LEU HG 1 46 GLY H . . 5.500 5.116 4.490 5.605 0.105 17 0 "[ . 1 . 2]" 1
675 1 46 GLY H 1 47 ILE H . . 3.670 2.656 2.631 2.667 . 0 0 "[ . 1 . 2]" 1
676 1 46 GLY QA 1 47 ILE HA . . 4.550 4.034 4.028 4.046 . 0 0 "[ . 1 . 2]" 1
677 1 47 ILE H 1 47 ILE MD . . 4.150 3.992 1.882 4.124 . 0 0 "[ . 1 . 2]" 1
678 1 47 ILE H 1 47 ILE QG . . 4.210 2.497 2.414 3.438 . 0 0 "[ . 1 . 2]" 1
679 1 47 ILE H 1 48 SER H . . 4.640 4.399 4.388 4.404 . 0 0 "[ . 1 . 2]" 1
680 1 47 ILE HA 1 47 ILE MD . . 4.500 4.144 3.472 4.181 . 0 0 "[ . 1 . 2]" 1
681 1 47 ILE HA 1 48 SER H . . 3.190 2.492 2.398 2.561 . 0 0 "[ . 1 . 2]" 1
682 1 47 ILE HB 1 47 ILE MD . . 3.550 2.468 2.390 3.230 . 0 0 "[ . 1 . 2]" 1
683 1 47 ILE HB 1 48 SER H . . 3.710 2.235 2.097 2.400 . 0 0 "[ . 1 . 2]" 1
684 1 47 ILE HB 1 51 SER QB . . 4.290 2.626 2.132 2.940 . 0 0 "[ . 1 . 2]" 1
685 1 47 ILE MD 1 48 SER H . . 4.470 3.970 3.793 4.247 . 0 0 "[ . 1 . 2]" 1
686 1 47 ILE MD 1 52 TRP HA . . 4.000 2.135 1.909 3.215 . 0 0 "[ . 1 . 2]" 1
687 1 47 ILE MD 1 52 TRP HB2 . . 4.110 2.062 1.963 2.401 . 0 0 "[ . 1 . 2]" 1
688 1 47 ILE QG 1 48 SER H . . 4.070 3.151 2.869 3.466 . 0 0 "[ . 1 . 2]" 1
689 1 47 ILE QG 1 51 SER QB . . 4.590 3.062 2.193 3.609 . 0 0 "[ . 1 . 2]" 1
690 1 47 ILE QG 1 52 TRP HA . . 5.030 3.652 3.131 3.867 . 0 0 "[ . 1 . 2]" 1
691 1 47 ILE QG 1 52 TRP HD1 . . 4.760 3.988 3.421 4.293 . 0 0 "[ . 1 . 2]" 1
692 1 47 ILE HG12 1 47 ILE MG . . 3.380 2.443 2.353 3.201 . 0 0 "[ . 1 . 2]" 1
693 1 47 ILE HG12 1 52 TRP H . . 5.130 4.558 2.700 5.071 . 0 0 "[ . 1 . 2]" 1
694 1 47 ILE HG13 1 47 ILE MG . . 3.380 3.160 2.339 3.203 . 0 0 "[ . 1 . 2]" 1
695 1 47 ILE HG13 1 52 TRP H . . 5.130 3.117 2.880 3.428 . 0 0 "[ . 1 . 2]" 1
696 1 47 ILE MG 1 52 TRP H . . 5.180 5.169 4.964 5.299 0.119 18 0 "[ . 1 . 2]" 1
697 1 47 ILE MG 1 52 TRP HA . . 4.940 4.926 4.754 4.960 0.020 2 0 "[ . 1 . 2]" 1
698 1 47 ILE MG 1 52 TRP HB2 . . 4.750 4.783 4.759 4.807 0.057 3 0 "[ . 1 . 2]" 1
699 1 47 ILE MG 1 55 ASP HB2 . . 5.500 5.511 5.461 5.540 0.040 18 0 "[ . 1 . 2]" 1
700 1 48 SER H 1 48 SER HB2 . . 3.980 2.829 2.177 3.610 . 0 0 "[ . 1 . 2]" 1
701 1 48 SER H 1 48 SER QB . . 3.110 2.474 2.128 2.870 . 0 0 "[ . 1 . 2]" 1
702 1 48 SER H 1 48 SER HB3 . . 3.980 3.074 2.172 3.616 . 0 0 "[ . 1 . 2]" 1
703 1 48 SER H 1 51 SER H . . 4.420 4.069 3.866 4.183 . 0 0 "[ . 1 . 2]" 1
704 1 48 SER HA 1 49 VAL H . . 3.220 2.269 2.208 2.356 . 0 0 "[ . 1 . 2]" 1
705 1 48 SER HA 1 50 LEU H . . 4.540 4.253 4.045 4.354 . 0 0 "[ . 1 . 2]" 1
706 1 48 SER QB 1 49 VAL H . . 3.370 2.959 2.622 3.440 0.070 20 0 "[ . 1 . 2]" 1
707 1 48 SER QB 1 50 LEU H . . 4.200 2.859 2.493 3.563 . 0 0 "[ . 1 . 2]" 1
708 1 48 SER QB 1 51 SER H . . 3.760 2.753 2.398 3.401 . 0 0 "[ . 1 . 2]" 1
709 1 48 SER HB2 1 49 VAL H . . 4.100 3.599 2.803 4.131 0.031 6 0 "[ . 1 . 2]" 1
710 1 48 SER HB3 1 49 VAL H . . 4.100 3.408 2.677 4.180 0.080 20 0 "[ . 1 . 2]" 1
711 1 49 VAL H 1 49 VAL HB . . 3.670 2.851 2.524 3.615 . 0 0 "[ . 1 . 2]" 1
712 1 49 VAL H 1 49 VAL MG1 . . 4.570 3.198 1.915 3.764 . 0 0 "[ . 1 . 2]" 1
713 1 49 VAL H 1 49 VAL QG . . 3.270 2.003 1.814 2.145 . 0 0 "[ . 1 . 2]" 1
714 1 49 VAL H 1 49 VAL MG2 . . 4.570 2.291 1.911 3.765 . 0 0 "[ . 1 . 2]" 1
715 1 49 VAL H 1 50 LEU H . . 3.660 2.799 2.748 2.827 . 0 0 "[ . 1 . 2]" 1
716 1 49 VAL HA 1 49 VAL MG1 . . 3.670 2.467 2.220 3.196 . 0 0 "[ . 1 . 2]" 1
717 1 49 VAL HA 1 49 VAL QG . . 3.140 2.165 2.083 2.326 . 0 0 "[ . 1 . 2]" 1
718 1 49 VAL HA 1 49 VAL MG2 . . 3.670 2.542 2.262 3.196 . 0 0 "[ . 1 . 2]" 1
719 1 49 VAL HA 1 52 TRP H . . 4.960 3.442 3.327 3.490 . 0 0 "[ . 1 . 2]" 1
720 1 49 VAL HA 1 52 TRP HB2 . . 5.430 3.681 3.308 4.031 . 0 0 "[ . 1 . 2]" 1
721 1 49 VAL HA 1 52 TRP HB3 . . 4.330 2.700 2.354 2.932 . 0 0 "[ . 1 . 2]" 1
722 1 49 VAL HA 1 53 ARG H . . 5.360 4.071 3.703 4.354 . 0 0 "[ . 1 . 2]" 1
723 1 49 VAL HB 1 50 LEU H . . 4.150 2.983 2.493 4.084 . 0 0 "[ . 1 . 2]" 1
724 1 49 VAL QG 1 50 LEU H . . 3.990 2.787 1.903 3.288 . 0 0 "[ . 1 . 2]" 1
725 1 49 VAL QG 1 50 LEU HA . . 4.360 3.420 3.043 3.596 . 0 0 "[ . 1 . 2]" 1
726 1 49 VAL QG 1 50 LEU QD . . 4.820 2.974 1.893 3.776 . 0 0 "[ . 1 . 2]" 1
727 1 49 VAL MG1 1 50 LEU H . . 4.660 3.383 1.911 3.973 . 0 0 "[ . 1 . 2]" 1
728 1 49 VAL MG2 1 50 LEU H . . 4.660 3.351 1.954 3.780 . 0 0 "[ . 1 . 2]" 1
729 1 50 LEU H 1 50 LEU QB . . 3.630 2.261 2.050 2.580 . 0 0 "[ . 1 . 2]" 1
730 1 50 LEU H 1 50 LEU QD . . 4.310 2.679 1.959 3.374 . 0 0 "[ . 1 . 2]" 1
731 1 50 LEU HA 1 50 LEU MD1 . . 4.080 2.847 1.968 3.948 . 0 0 "[ . 1 . 2]" 1
732 1 50 LEU HA 1 50 LEU QD . . 3.220 2.220 1.944 2.691 . 0 0 "[ . 1 . 2]" 1
733 1 50 LEU HA 1 50 LEU MD2 . . 4.080 3.089 2.028 3.825 . 0 0 "[ . 1 . 2]" 1
734 1 50 LEU HA 1 50 LEU HG . . 4.260 2.922 2.389 3.676 . 0 0 "[ . 1 . 2]" 1
735 1 50 LEU HA 1 53 ARG H . . 4.480 3.740 3.659 3.836 . 0 0 "[ . 1 . 2]" 1
736 1 50 LEU QB 1 50 LEU QD . . 2.710 1.926 1.822 2.009 . 0 0 "[ . 1 . 2]" 1
737 1 50 LEU QB 1 51 SER H . . 3.700 2.697 2.463 2.853 . 0 0 "[ . 1 . 2]" 1
738 1 50 LEU QB 1 51 SER HA . . 4.740 3.865 3.783 3.918 . 0 0 "[ . 1 . 2]" 1
739 1 51 SER H 1 52 TRP H . . 3.720 2.564 2.520 2.598 . 0 0 "[ . 1 . 2]" 1
740 1 51 SER HA 1 54 GLU H . . 4.140 3.559 3.439 3.788 . 0 0 "[ . 1 . 2]" 1
741 1 51 SER HA 1 54 GLU HB2 . . 4.780 3.657 2.856 4.362 . 0 0 "[ . 1 . 2]" 1
742 1 51 SER HA 1 54 GLU QB . . 4.140 2.988 2.818 3.160 . 0 0 "[ . 1 . 2]" 1
743 1 51 SER HA 1 54 GLU HB3 . . 4.780 3.330 2.931 4.530 . 0 0 "[ . 1 . 2]" 1
744 1 51 SER QB 1 52 TRP H . . 3.910 2.551 2.404 2.703 . 0 0 "[ . 1 . 2]" 1
745 1 52 TRP H 1 52 TRP HB2 . . 3.730 2.619 2.536 2.672 . 0 0 "[ . 1 . 2]" 1
746 1 52 TRP H 1 52 TRP HB3 . . 3.850 2.443 2.395 2.523 . 0 0 "[ . 1 . 2]" 1
747 1 52 TRP H 1 53 ARG H . . 4.080 2.728 2.664 2.766 . 0 0 "[ . 1 . 2]" 1
748 1 52 TRP H 1 54 GLU H . . 5.450 4.344 4.269 4.390 . 0 0 "[ . 1 . 2]" 1
749 1 52 TRP HA 1 52 TRP HD1 . . 3.930 2.942 2.676 3.269 . 0 0 "[ . 1 . 2]" 1
750 1 52 TRP HA 1 55 ASP H . . 4.490 3.512 3.391 3.640 . 0 0 "[ . 1 . 2]" 1
751 1 52 TRP HA 1 55 ASP HB2 . . 4.100 3.016 2.555 3.205 . 0 0 "[ . 1 . 2]" 1
752 1 52 TRP HA 1 55 ASP HB3 . . 4.420 3.091 2.730 3.867 . 0 0 "[ . 1 . 2]" 1
753 1 52 TRP HB2 1 52 TRP HD1 . . 3.880 2.793 2.662 2.912 . 0 0 "[ . 1 . 2]" 1
754 1 52 TRP HB3 1 52 TRP HE3 . . 3.930 2.460 2.403 2.578 . 0 0 "[ . 1 . 2]" 1
755 1 52 TRP HB3 1 53 ARG H . . 4.080 2.635 2.492 2.683 . 0 0 "[ . 1 . 2]" 1
756 1 52 TRP HD1 1 55 ASP HB2 . . 5.500 5.101 4.334 5.476 . 0 0 "[ . 1 . 2]" 1
757 1 52 TRP HD1 1 55 ASP HB3 . . 4.880 4.274 3.829 4.748 . 0 0 "[ . 1 . 2]" 1
758 1 52 TRP HE3 1 53 ARG H . . 4.640 3.173 2.686 3.662 . 0 0 "[ . 1 . 2]" 1
759 1 52 TRP HE3 1 53 ARG HA . . 3.900 3.383 2.661 3.902 0.002 12 0 "[ . 1 . 2]" 1
760 1 52 TRP HH2 1 56 GLN QG . . 4.660 4.098 3.237 4.658 . 0 0 "[ . 1 . 2]" 1
761 1 52 TRP HZ2 1 56 GLN QE . . 5.220 3.843 2.818 4.630 . 0 0 "[ . 1 . 2]" 1
762 1 52 TRP HZ2 1 56 GLN QG . . 4.350 3.157 2.692 4.231 . 0 0 "[ . 1 . 2]" 1
763 1 53 ARG H 1 54 GLU H . . 4.080 2.761 2.711 2.789 . 0 0 "[ . 1 . 2]" 1
764 1 53 ARG H 1 54 GLU HA . . 5.390 5.351 5.308 5.372 . 0 0 "[ . 1 . 2]" 1
765 1 53 ARG HA 1 56 GLN H . . 4.690 3.672 3.555 3.812 . 0 0 "[ . 1 . 2]" 1
766 1 53 ARG HA 1 56 GLN HB2 . . 4.430 2.920 2.652 3.239 . 0 0 "[ . 1 . 2]" 1
767 1 53 ARG HA 1 56 GLN HB3 . . 4.880 4.349 3.464 4.880 0.000 1 0 "[ . 1 . 2]" 1
768 1 53 ARG QD 1 57 ARG QG . . 4.980 4.484 2.813 4.996 0.016 18 0 "[ . 1 . 2]" 1
769 1 53 ARG QG 1 56 GLN H . . 5.340 5.089 4.862 5.358 0.018 20 0 "[ . 1 . 2]" 1
770 1 53 ARG QG 1 56 GLN HB2 . . 4.530 4.332 4.031 4.533 0.003 15 0 "[ . 1 . 2]" 1
771 1 53 ARG QG 1 57 ARG QD . . 4.320 2.904 2.061 4.318 . 0 0 "[ . 1 . 2]" 1
772 1 54 GLU H 1 54 GLU QB . . 3.270 2.211 2.126 2.252 . 0 0 "[ . 1 . 2]" 1
773 1 54 GLU H 1 54 GLU QG . . 4.320 3.835 2.724 4.037 . 0 0 "[ . 1 . 2]" 1
774 1 54 GLU H 1 57 ARG QG . . 5.090 4.862 4.148 5.114 0.024 20 0 "[ . 1 . 2]" 1
775 1 54 GLU HA 1 54 GLU HG2 . . 4.040 2.990 2.330 3.541 . 0 0 "[ . 1 . 2]" 1
776 1 54 GLU HA 1 54 GLU QG . . 3.420 2.355 2.208 2.537 . 0 0 "[ . 1 . 2]" 1
777 1 54 GLU HA 1 54 GLU HG3 . . 4.040 2.594 2.250 3.614 . 0 0 "[ . 1 . 2]" 1
778 1 54 GLU HA 1 57 ARG QB . . 4.040 2.810 2.281 3.947 . 0 0 "[ . 1 . 2]" 1
779 1 54 GLU HA 1 57 ARG HD2 . . 4.410 2.903 1.955 3.697 . 0 0 "[ . 1 . 2]" 1
780 1 54 GLU HA 1 57 ARG QD . . 3.870 2.115 1.936 2.481 . 0 0 "[ . 1 . 2]" 1
781 1 54 GLU HA 1 57 ARG HD3 . . 4.410 2.465 1.996 3.681 . 0 0 "[ . 1 . 2]" 1
782 1 54 GLU HA 1 57 ARG QG . . 4.480 3.188 1.961 3.653 . 0 0 "[ . 1 . 2]" 1
783 1 54 GLU QB 1 55 ASP H . . 3.770 2.525 2.424 2.695 . 0 0 "[ . 1 . 2]" 1
784 1 54 GLU QB 1 90 VAL QG . . 5.280 4.502 3.584 5.278 . 0 0 "[ . 1 . 2]" 1
785 1 54 GLU QG 1 90 VAL QG . . 4.240 3.179 2.006 4.116 . 0 0 "[ . 1 . 2]" 1
786 1 55 ASP H 1 55 ASP HB2 . . 3.540 2.219 2.069 2.426 . 0 0 "[ . 1 . 2]" 1
787 1 55 ASP H 1 55 ASP HB3 . . 3.910 2.943 2.639 3.466 . 0 0 "[ . 1 . 2]" 1
788 1 55 ASP HA 1 58 ILE H . . 4.710 3.682 3.514 3.823 . 0 0 "[ . 1 . 2]" 1
789 1 55 ASP HA 1 58 ILE HB . . 4.010 3.294 2.572 3.604 . 0 0 "[ . 1 . 2]" 1
790 1 55 ASP HB2 1 56 GLN H . . 4.470 3.553 2.915 3.893 . 0 0 "[ . 1 . 2]" 1
791 1 55 ASP HB3 1 56 GLN H . . 4.420 2.716 2.411 3.260 . 0 0 "[ . 1 . 2]" 1
792 1 56 GLN H 1 56 GLN HB2 . . 3.530 2.234 2.132 2.441 . 0 0 "[ . 1 . 2]" 1
793 1 56 GLN H 1 56 GLN HB3 . . 4.120 3.465 3.009 3.591 . 0 0 "[ . 1 . 2]" 1
794 1 56 GLN H 1 56 GLN QE . . 5.160 4.554 2.604 5.148 . 0 0 "[ . 1 . 2]" 1
795 1 56 GLN H 1 57 ARG H . . 3.680 2.591 2.536 2.713 . 0 0 "[ . 1 . 2]" 1
796 1 56 GLN H 1 57 ARG QD . . 5.340 5.119 4.547 5.492 0.152 4 0 "[ . 1 . 2]" 1
797 1 56 GLN HA 1 56 GLN QE . . 4.660 3.368 2.480 4.448 . 0 0 "[ . 1 . 2]" 1
798 1 56 GLN HB2 1 57 ARG H . . 3.980 2.906 2.673 3.483 . 0 0 "[ . 1 . 2]" 1
799 1 56 GLN HB3 1 57 ARG HA . . 5.110 4.131 3.849 4.423 . 0 0 "[ . 1 . 2]" 1
800 1 57 ARG H 1 57 ARG HB2 . . 4.160 2.542 2.231 3.594 . 0 0 "[ . 1 . 2]" 1
801 1 57 ARG H 1 57 ARG QB . . 3.450 2.365 2.207 2.632 . 0 0 "[ . 1 . 2]" 1
802 1 57 ARG H 1 57 ARG HB3 . . 4.160 3.422 2.659 3.588 . 0 0 "[ . 1 . 2]" 1
803 1 57 ARG H 1 57 ARG QD . . 5.190 3.523 3.079 3.938 . 0 0 "[ . 1 . 2]" 1
804 1 57 ARG H 1 57 ARG QG . . 3.920 2.394 1.872 2.715 . 0 0 "[ . 1 . 2]" 1
805 1 57 ARG H 1 58 ILE H . . 3.780 2.727 2.575 2.787 . 0 0 "[ . 1 . 2]" 1
806 1 57 ARG HA 1 57 ARG HG2 . . 4.160 2.853 2.562 3.716 . 0 0 "[ . 1 . 2]" 1
807 1 57 ARG HA 1 57 ARG QG . . 3.600 2.529 2.311 3.342 . 0 0 "[ . 1 . 2]" 1
808 1 57 ARG HA 1 57 ARG HG3 . . 4.160 2.850 2.457 3.806 . 0 0 "[ . 1 . 2]" 1
809 1 57 ARG HA 1 60 GLN H . . 3.830 3.666 3.393 3.843 0.013 16 0 "[ . 1 . 2]" 1
810 1 57 ARG HA 1 60 GLN HB2 . . 4.670 3.564 2.928 3.929 . 0 0 "[ . 1 . 2]" 1
811 1 57 ARG HA 1 60 GLN HB3 . . 4.520 3.139 2.388 3.490 . 0 0 "[ . 1 . 2]" 1
812 1 57 ARG HA 1 61 ALA MB . . 5.500 4.634 4.299 4.991 . 0 0 "[ . 1 . 2]" 1
813 1 57 ARG HA 1 79 VAL HB . . 4.110 3.957 3.675 4.163 0.053 16 0 "[ . 1 . 2]" 1
814 1 57 ARG HA 1 79 VAL MG1 . . 4.170 3.044 1.945 3.380 . 0 0 "[ . 1 . 2]" 1
815 1 57 ARG HA 1 79 VAL MG2 . . 5.500 5.125 4.271 5.336 . 0 0 "[ . 1 . 2]" 1
816 1 57 ARG QB 1 58 ILE H . . 3.540 2.652 2.413 3.365 . 0 0 "[ . 1 . 2]" 1
817 1 57 ARG QB 1 79 VAL HA . . 5.060 4.274 2.884 5.069 0.009 16 0 "[ . 1 . 2]" 1
818 1 57 ARG QB 1 79 VAL MG1 . . 4.450 3.018 2.173 3.493 . 0 0 "[ . 1 . 2]" 1
819 1 57 ARG QB 1 79 VAL MG2 . . 4.200 3.801 3.389 4.221 0.021 12 0 "[ . 1 . 2]" 1
820 1 57 ARG QG 1 79 VAL MG1 . . 4.760 3.699 2.659 4.493 . 0 0 "[ . 1 . 2]" 1
821 1 58 ILE H 1 58 ILE HB . . 3.800 2.519 2.318 2.640 . 0 0 "[ . 1 . 2]" 1
822 1 58 ILE H 1 58 ILE MD . . 4.430 3.203 2.088 3.626 . 0 0 "[ . 1 . 2]" 1
823 1 58 ILE H 1 58 ILE HG12 . . 4.180 2.245 1.964 3.972 . 0 0 "[ . 1 . 2]" 1
824 1 58 ILE H 1 58 ILE QG . . 3.420 2.200 1.955 3.381 . 0 0 "[ . 1 . 2]" 1
825 1 58 ILE H 1 58 ILE HG13 . . 4.180 3.614 3.521 3.696 . 0 0 "[ . 1 . 2]" 1
826 1 58 ILE H 1 58 ILE MG . . 4.650 3.759 3.696 3.774 . 0 0 "[ . 1 . 2]" 1
827 1 58 ILE H 1 59 SER H . . 3.810 2.620 2.531 2.757 . 0 0 "[ . 1 . 2]" 1
828 1 58 ILE HA 1 58 ILE MD . . 3.620 2.068 1.968 2.760 . 0 0 "[ . 1 . 2]" 1
829 1 58 ILE HA 1 58 ILE MG . . 3.720 2.336 2.225 2.502 . 0 0 "[ . 1 . 2]" 1
830 1 58 ILE HA 1 61 ALA MB . . 3.420 2.792 2.462 3.066 . 0 0 "[ . 1 . 2]" 1
831 1 58 ILE HA 1 62 LYS H . . 4.670 4.214 3.692 4.592 . 0 0 "[ . 1 . 2]" 1
832 1 58 ILE HA 1 79 VAL MG2 . . 5.500 4.925 4.354 5.419 . 0 0 "[ . 1 . 2]" 1
833 1 58 ILE HA 1 87 PHE QE . . 4.310 2.758 2.182 3.310 . 0 0 "[ . 1 . 2]" 1
834 1 58 ILE HA 1 87 PHE HZ . . 5.190 4.229 3.452 4.819 . 0 0 "[ . 1 . 2]" 1
835 1 58 ILE HB 1 59 SER H . . 3.720 2.574 2.493 2.857 . 0 0 "[ . 1 . 2]" 1
836 1 58 ILE MD 1 61 ALA MB . . 4.590 3.618 3.326 4.301 . 0 0 "[ . 1 . 2]" 1
837 1 58 ILE MD 1 91 PHE HA . . 3.920 2.705 2.102 3.913 . 0 0 "[ . 1 . 2]" 1
838 1 58 ILE QG 1 59 SER H . . 4.550 3.982 3.855 4.462 . 0 0 "[ . 1 . 2]" 1
839 1 58 ILE QG 1 94 CYS QB . . 4.560 3.231 2.437 3.813 . 0 0 "[ . 1 . 2]" 1
840 1 58 ILE MG 1 59 SER H . . 4.550 3.442 3.042 3.636 . 0 0 "[ . 1 . 2]" 1
841 1 58 ILE MG 1 62 LYS QD . . 4.250 2.872 1.926 4.178 . 0 0 "[ . 1 . 2]" 1
842 1 58 ILE MG 1 62 LYS HE2 . . 4.670 3.849 2.052 4.673 0.003 10 0 "[ . 1 . 2]" 1
843 1 58 ILE MG 1 62 LYS QE . . 3.960 3.243 1.942 3.968 0.008 18 0 "[ . 1 . 2]" 1
844 1 58 ILE MG 1 62 LYS HE3 . . 4.670 3.604 2.099 4.672 0.002 20 0 "[ . 1 . 2]" 1
845 1 58 ILE MG 1 62 LYS QG . . 4.320 3.347 2.390 3.833 . 0 0 "[ . 1 . 2]" 1
846 1 58 ILE MG 1 91 PHE HA . . 4.820 2.940 2.235 3.578 . 0 0 "[ . 1 . 2]" 1
847 1 58 ILE MG 1 94 CYS HB2 . . 4.510 3.055 2.451 3.625 . 0 0 "[ . 1 . 2]" 1
848 1 58 ILE MG 1 94 CYS HB3 . . 4.510 2.837 2.492 3.270 . 0 0 "[ . 1 . 2]" 1
849 1 58 ILE MG 1 95 THR MG . . 3.840 3.503 3.029 3.870 0.030 18 0 "[ . 1 . 2]" 1
850 1 59 SER H 1 62 LYS H . . 5.160 4.914 4.700 5.076 . 0 0 "[ . 1 . 2]" 1
851 1 59 SER H 1 62 LYS QD . . 5.500 4.544 3.837 5.502 0.002 5 0 "[ . 1 . 2]" 1
852 1 59 SER HA 1 62 LYS H . . 4.900 3.667 3.445 3.805 . 0 0 "[ . 1 . 2]" 1
853 1 59 SER HA 1 62 LYS HB2 . . 5.390 3.891 2.907 5.073 . 0 0 "[ . 1 . 2]" 1
854 1 59 SER HA 1 62 LYS QB . . 4.510 3.450 2.761 4.124 . 0 0 "[ . 1 . 2]" 1
855 1 59 SER HA 1 62 LYS HB3 . . 5.390 4.396 3.285 4.989 . 0 0 "[ . 1 . 2]" 1
856 1 59 SER HA 1 62 LYS QD . . 4.250 2.424 1.964 3.713 . 0 0 "[ . 1 . 2]" 1
857 1 59 SER HA 1 62 LYS HE2 . . 5.200 4.533 2.162 5.187 . 0 0 "[ . 1 . 2]" 1
858 1 59 SER HA 1 62 LYS QE . . 4.330 3.739 2.087 4.341 0.011 20 0 "[ . 1 . 2]" 1
859 1 59 SER HA 1 62 LYS HE3 . . 5.200 4.141 2.512 5.200 . 0 0 "[ . 1 . 2]" 1
860 1 60 GLN H 1 60 GLN HB2 . . 3.500 2.410 2.146 2.705 . 0 0 "[ . 1 . 2]" 1
861 1 60 GLN H 1 60 GLN HB3 . . 3.630 2.680 2.373 3.013 . 0 0 "[ . 1 . 2]" 1
862 1 60 GLN H 1 60 GLN QG . . 4.520 4.029 3.760 4.068 . 0 0 "[ . 1 . 2]" 1
863 1 60 GLN H 1 61 ALA MB . . 4.810 4.201 4.121 4.263 . 0 0 "[ . 1 . 2]" 1
864 1 60 GLN HA 1 60 GLN QE . . 5.010 2.761 2.284 3.866 . 0 0 "[ . 1 . 2]" 1
865 1 60 GLN HA 1 60 GLN QG . . 3.630 2.768 2.327 3.108 . 0 0 "[ . 1 . 2]" 1
866 1 60 GLN HA 1 63 LEU QB . . 3.690 2.595 2.299 2.987 . 0 0 "[ . 1 . 2]" 1
867 1 60 GLN HA 1 63 LEU QD . . 4.390 3.500 2.897 4.394 0.004 11 0 "[ . 1 . 2]" 1
868 1 60 GLN HA 1 64 LEU H . . 4.850 4.121 3.675 4.639 . 0 0 "[ . 1 . 2]" 1
869 1 60 GLN HA 1 79 VAL MG1 . . 5.310 5.199 4.730 5.318 0.008 14 0 "[ . 1 . 2]" 1
870 1 60 GLN HB2 1 61 ALA H . . 4.170 3.732 3.413 4.000 . 0 0 "[ . 1 . 2]" 1
871 1 60 GLN HB2 1 79 VAL MG1 . . 4.410 4.316 3.693 4.421 0.011 6 0 "[ . 1 . 2]" 1
872 1 60 GLN HB3 1 61 ALA H . . 3.930 2.610 2.510 2.707 . 0 0 "[ . 1 . 2]" 1
873 1 60 GLN HB3 1 61 ALA HA . . 4.790 4.085 3.844 4.427 . 0 0 "[ . 1 . 2]" 1
874 1 60 GLN HB3 1 61 ALA MB . . 4.430 3.905 3.788 4.041 . 0 0 "[ . 1 . 2]" 1
875 1 60 GLN HB3 1 79 VAL MG1 . . 3.670 2.923 2.469 3.112 . 0 0 "[ . 1 . 2]" 1
876 1 60 GLN QE 1 63 LEU H . . 5.340 4.612 3.740 5.214 . 0 0 "[ . 1 . 2]" 1
877 1 60 GLN QE 1 63 LEU QB . . 5.180 2.838 2.114 3.532 . 0 0 "[ . 1 . 2]" 1
878 1 60 GLN QE 1 63 LEU QD . . 4.350 2.669 1.842 4.315 . 0 0 "[ . 1 . 2]" 1
879 1 60 GLN QE 1 64 LEU QD . . 4.050 2.958 1.990 3.974 . 0 0 "[ . 1 . 2]" 1
880 1 60 GLN QE 1 64 LEU HG . . 4.570 4.080 2.319 4.574 0.004 6 0 "[ . 1 . 2]" 1
881 1 60 GLN QG 1 61 ALA HA . . 5.340 4.108 3.432 5.287 . 0 0 "[ . 1 . 2]" 1
882 1 60 GLN QG 1 64 LEU QD . . 4.280 2.626 1.993 3.895 . 0 0 "[ . 1 . 2]" 1
883 1 60 GLN QG 1 79 VAL MG1 . . 4.330 3.696 2.972 4.304 . 0 0 "[ . 1 . 2]" 1
884 1 61 ALA H 1 61 ALA MB . . 3.250 2.115 2.044 2.151 . 0 0 "[ . 1 . 2]" 1
885 1 61 ALA H 1 62 LYS H . . 3.760 2.702 2.545 2.792 . 0 0 "[ . 1 . 2]" 1
886 1 61 ALA H 1 63 LEU H . . 5.150 4.042 3.871 4.305 . 0 0 "[ . 1 . 2]" 1
887 1 61 ALA H 1 79 VAL MG1 . . 3.810 2.996 2.661 3.371 . 0 0 "[ . 1 . 2]" 1
888 1 61 ALA HA 1 64 LEU H . . 4.690 3.743 3.456 3.924 . 0 0 "[ . 1 . 2]" 1
889 1 61 ALA HA 1 64 LEU QB . . 4.630 3.803 3.034 4.215 . 0 0 "[ . 1 . 2]" 1
890 1 61 ALA HA 1 64 LEU QD . . 3.520 2.068 1.912 2.325 . 0 0 "[ . 1 . 2]" 1
891 1 61 ALA HA 1 75 VAL MG1 . . 3.760 2.912 2.601 3.262 . 0 0 "[ . 1 . 2]" 1
892 1 61 ALA HA 1 79 VAL MG1 . . 4.540 3.069 2.736 4.100 . 0 0 "[ . 1 . 2]" 1
893 1 61 ALA HA 1 79 VAL MG2 . . 5.130 4.748 3.485 5.089 . 0 0 "[ . 1 . 2]" 1
894 1 61 ALA HA 1 87 PHE HZ . . 5.500 4.626 4.203 5.289 . 0 0 "[ . 1 . 2]" 1
895 1 61 ALA MB 1 62 LYS H . . 3.770 2.571 2.437 2.795 . 0 0 "[ . 1 . 2]" 1
896 1 61 ALA MB 1 62 LYS HA . . 5.500 3.756 3.713 3.792 . 0 0 "[ . 1 . 2]" 1
897 1 61 ALA MB 1 65 LEU QD . . 4.990 2.924 2.460 3.576 . 0 0 "[ . 1 . 2]" 1
898 1 61 ALA MB 1 75 VAL MG1 . . 4.300 2.395 1.875 2.816 . 0 0 "[ . 1 . 2]" 1
899 1 61 ALA MB 1 79 VAL MG1 . . 3.280 1.963 1.769 3.007 . 0 0 "[ . 1 . 2]" 1
900 1 61 ALA MB 1 79 VAL MG2 . . 3.790 3.145 2.333 3.423 . 0 0 "[ . 1 . 2]" 1
901 1 61 ALA MB 1 87 PHE QD . . 4.970 3.888 3.631 4.194 . 0 0 "[ . 1 . 2]" 1
902 1 61 ALA MB 1 87 PHE QE . . 3.520 2.390 2.039 2.714 . 0 0 "[ . 1 . 2]" 1
903 1 61 ALA MB 1 87 PHE HZ . . 3.600 2.037 1.888 2.438 . 0 0 "[ . 1 . 2]" 1
904 1 62 LYS H 1 62 LYS HB2 . . 4.170 2.951 2.112 3.600 . 0 0 "[ . 1 . 2]" 1
905 1 62 LYS H 1 62 LYS QB . . 3.520 2.431 2.080 2.578 . 0 0 "[ . 1 . 2]" 1
906 1 62 LYS H 1 62 LYS HB3 . . 4.170 3.091 2.404 3.602 . 0 0 "[ . 1 . 2]" 1
907 1 62 LYS H 1 62 LYS QG . . 3.720 2.288 1.934 3.680 . 0 0 "[ . 1 . 2]" 1
908 1 62 LYS H 1 63 LEU H . . 3.920 2.560 2.510 2.689 . 0 0 "[ . 1 . 2]" 1
909 1 62 LYS H 1 64 LEU H . . 5.410 4.358 4.244 4.472 . 0 0 "[ . 1 . 2]" 1
910 1 62 LYS HA 1 62 LYS QD . . 4.670 4.259 3.882 4.539 . 0 0 "[ . 1 . 2]" 1
911 1 62 LYS HA 1 65 LEU QB . . 4.240 2.358 2.184 2.652 . 0 0 "[ . 1 . 2]" 1
912 1 62 LYS HA 1 65 LEU QD . . 4.080 2.819 2.155 3.443 . 0 0 "[ . 1 . 2]" 1
913 1 62 LYS HA 1 65 LEU HG . . 5.030 4.585 4.077 5.073 0.043 6 0 "[ . 1 . 2]" 1
914 1 62 LYS QD 1 63 LEU H . . 4.910 4.391 4.129 4.966 0.056 20 0 "[ . 1 . 2]" 1
915 1 62 LYS QD 1 95 THR MG . . 4.140 3.745 2.869 4.168 0.028 18 0 "[ . 1 . 2]" 1
916 1 62 LYS QE 1 95 THR MG . . 3.850 2.934 2.266 3.850 . 14 0 "[ . 1 . 2]" 1
917 1 62 LYS HE2 1 95 THR MG . . 4.410 3.449 2.681 4.396 . 0 0 "[ . 1 . 2]" 1
918 1 62 LYS HE3 1 95 THR MG . . 4.410 3.462 2.439 4.332 . 0 0 "[ . 1 . 2]" 1
919 1 63 LEU H 1 63 LEU HB2 . . 3.330 2.442 2.120 2.772 . 0 0 "[ . 1 . 2]" 1
920 1 63 LEU H 1 63 LEU QB . . 2.890 2.186 2.078 2.237 . 0 0 "[ . 1 . 2]" 1
921 1 63 LEU H 1 63 LEU HB3 . . 3.330 2.597 2.276 2.987 . 0 0 "[ . 1 . 2]" 1
922 1 63 LEU H 1 63 LEU QD . . 4.400 3.619 3.325 3.744 . 0 0 "[ . 1 . 2]" 1
923 1 63 LEU H 1 63 LEU HG . . 5.230 4.435 4.250 4.605 . 0 0 "[ . 1 . 2]" 1
924 1 63 LEU H 1 64 LEU H . . 3.840 2.732 2.683 2.829 . 0 0 "[ . 1 . 2]" 1
925 1 63 LEU HA 1 63 LEU MD1 . . 4.720 3.033 2.042 3.692 . 0 0 "[ . 1 . 2]" 1
926 1 63 LEU HA 1 63 LEU QD . . 3.250 2.547 1.951 3.146 . 0 0 "[ . 1 . 2]" 1
927 1 63 LEU HA 1 63 LEU MD2 . . 4.720 3.053 2.017 3.932 . 0 0 "[ . 1 . 2]" 1
928 1 63 LEU HA 1 67 THR MG . . 5.290 4.749 4.454 5.041 . 0 0 "[ . 1 . 2]" 1
929 1 63 LEU QB 1 64 LEU H . . 4.170 2.392 2.287 2.552 . 0 0 "[ . 1 . 2]" 1
930 1 63 LEU QB 1 67 THR MG . . 5.060 4.642 3.986 5.064 0.004 4 0 "[ . 1 . 2]" 1
931 1 63 LEU QD 1 67 THR MG . . 3.320 2.955 2.150 3.320 . 0 0 "[ . 1 . 2]" 1
932 1 64 LEU H 1 64 LEU QD . . 4.280 2.896 2.630 3.047 . 0 0 "[ . 1 . 2]" 1
933 1 64 LEU H 1 64 LEU HG . . 3.220 2.425 2.163 2.637 . 0 0 "[ . 1 . 2]" 1
934 1 64 LEU H 1 65 LEU H . . 3.880 2.566 2.529 2.603 . 0 0 "[ . 1 . 2]" 1
935 1 64 LEU HA 1 64 LEU MD1 . . 4.610 3.659 3.484 3.929 . 0 0 "[ . 1 . 2]" 1
936 1 64 LEU HA 1 64 LEU QD . . 3.370 3.147 2.799 3.345 . 0 0 "[ . 1 . 2]" 1
937 1 64 LEU HA 1 64 LEU MD2 . . 4.610 3.673 2.866 4.105 . 0 0 "[ . 1 . 2]" 1
938 1 64 LEU HA 1 64 LEU HG . . 4.230 3.378 2.783 3.693 . 0 0 "[ . 1 . 2]" 1
939 1 64 LEU HA 1 67 THR H . . 4.500 3.299 3.144 3.565 . 0 0 "[ . 1 . 2]" 1
940 1 64 LEU HA 1 67 THR HB . . 4.850 4.185 3.607 4.715 . 0 0 "[ . 1 . 2]" 1
941 1 64 LEU HA 1 68 THR H . . 4.650 4.397 3.917 4.667 0.017 13 0 "[ . 1 . 2]" 1
942 1 64 LEU HA 1 68 THR MG . . 3.610 3.066 2.640 3.359 . 0 0 "[ . 1 . 2]" 1
943 1 64 LEU QB 1 65 LEU H . . 4.050 3.113 2.459 3.438 . 0 0 "[ . 1 . 2]" 1
944 1 64 LEU QB 1 75 VAL MG1 . . 4.390 3.795 2.504 4.402 0.012 3 0 "[ . 1 . 2]" 1
945 1 64 LEU QD 1 65 LEU H . . 4.720 3.024 2.615 3.714 . 0 0 "[ . 1 . 2]" 1
946 1 64 LEU QD 1 66 SER H . . 5.440 4.644 4.291 5.228 . 0 0 "[ . 1 . 2]" 1
947 1 64 LEU QD 1 67 THR MG . . 4.110 3.521 3.138 3.843 . 0 0 "[ . 1 . 2]" 1
948 1 64 LEU QD 1 68 THR H . . 5.440 4.625 4.026 5.508 0.068 8 0 "[ . 1 . 2]" 1
949 1 64 LEU QD 1 68 THR MG . . 3.280 2.576 1.924 3.317 0.037 11 0 "[ . 1 . 2]" 1
950 1 64 LEU QD 1 70 MET ME . . 4.080 2.645 1.884 3.351 . 0 0 "[ . 1 . 2]" 1
951 1 64 LEU QD 1 75 VAL HA . . 4.780 3.273 2.670 4.255 . 0 0 "[ . 1 . 2]" 1
952 1 64 LEU QD 1 78 ASN H . . 5.440 4.486 4.085 5.124 . 0 0 "[ . 1 . 2]" 1
953 1 64 LEU QD 1 78 ASN QB . . 3.560 2.372 2.003 2.735 . 0 0 "[ . 1 . 2]" 1
954 1 64 LEU QD 1 78 ASN QD . . 4.660 2.716 1.930 3.478 . 0 0 "[ . 1 . 2]" 1
955 1 64 LEU MD1 1 70 MET ME . . 5.180 3.040 1.902 4.410 . 0 0 "[ . 1 . 2]" 1
956 1 64 LEU MD2 1 70 MET ME . . 5.180 3.588 2.999 4.229 . 0 0 "[ . 1 . 2]" 1
957 1 64 LEU HG 1 66 SER H . . 5.500 4.926 4.479 5.693 0.193 8 0 "[ . 1 . 2]" 1
958 1 64 LEU HG 1 67 THR H . . 5.500 5.518 5.394 5.691 0.191 12 0 "[ . 1 . 2]" 1
959 1 64 LEU HG 1 68 THR MG . . 4.700 4.498 4.151 4.762 0.062 17 0 "[ . 1 . 2]" 1
960 1 65 LEU H 1 65 LEU QB . . 3.640 2.140 2.044 2.229 . 0 0 "[ . 1 . 2]" 1
961 1 65 LEU H 1 65 LEU MD1 . . 5.440 3.654 3.421 4.134 . 0 0 "[ . 1 . 2]" 1
962 1 65 LEU H 1 65 LEU QD . . 4.460 3.408 3.249 3.713 . 0 0 "[ . 1 . 2]" 1
963 1 65 LEU H 1 65 LEU MD2 . . 5.440 4.108 3.797 4.398 . 0 0 "[ . 1 . 2]" 1
964 1 65 LEU H 1 65 LEU HG . . 4.390 3.286 2.767 4.449 0.059 6 0 "[ . 1 . 2]" 1
965 1 65 LEU H 1 66 SER H . . 3.830 2.623 2.549 2.720 . 0 0 "[ . 1 . 2]" 1
966 1 65 LEU H 1 67 THR H . . 4.850 4.066 3.955 4.228 . 0 0 "[ . 1 . 2]" 1
967 1 65 LEU H 1 75 VAL MG2 . . 5.310 4.403 3.800 4.736 . 0 0 "[ . 1 . 2]" 1
968 1 65 LEU HA 1 65 LEU MD1 . . 4.650 3.708 3.020 3.840 . 0 0 "[ . 1 . 2]" 1
969 1 65 LEU HA 1 65 LEU QD . . 3.290 2.384 2.010 3.042 . 0 0 "[ . 1 . 2]" 1
970 1 65 LEU HA 1 65 LEU MD2 . . 4.650 2.489 2.017 3.757 . 0 0 "[ . 1 . 2]" 1
971 1 65 LEU HA 1 65 LEU HG . . 4.050 2.546 2.205 2.832 . 0 0 "[ . 1 . 2]" 1
972 1 65 LEU HA 1 67 THR MG . . 4.870 4.584 4.462 4.701 . 0 0 "[ . 1 . 2]" 1
973 1 65 LEU HA 1 68 THR MG . . 4.330 3.959 3.673 4.334 0.004 12 0 "[ . 1 . 2]" 1
974 1 65 LEU HA 1 75 VAL MG2 . . 4.400 3.237 2.875 3.616 . 0 0 "[ . 1 . 2]" 1
975 1 65 LEU QB 1 66 SER H . . 4.320 2.896 2.809 2.977 . 0 0 "[ . 1 . 2]" 1
976 1 65 LEU QB 1 75 VAL MG1 . . 4.430 3.369 2.022 3.876 . 0 0 "[ . 1 . 2]" 1
977 1 65 LEU QB 1 75 VAL MG2 . . 4.030 3.778 3.148 4.060 0.030 16 0 "[ . 1 . 2]" 1
978 1 65 LEU QD 1 66 SER H . . 5.440 4.185 3.584 4.316 . 0 0 "[ . 1 . 2]" 1
979 1 65 LEU QD 1 68 THR H . . 5.440 4.703 4.330 5.036 . 0 0 "[ . 1 . 2]" 1
980 1 65 LEU QD 1 72 ILE HA . . 4.450 3.251 2.716 3.754 . 0 0 "[ . 1 . 2]" 1
981 1 65 LEU QD 1 72 ILE MG . . 4.390 3.711 3.187 4.348 . 0 0 "[ . 1 . 2]" 1
982 1 65 LEU QD 1 75 VAL HA . . 5.440 4.503 4.261 4.779 . 0 0 "[ . 1 . 2]" 1
983 1 65 LEU QD 1 75 VAL MG1 . . 4.010 2.087 1.857 2.410 . 0 0 "[ . 1 . 2]" 1
984 1 65 LEU QD 1 87 PHE HZ . . 4.100 3.008 2.498 3.915 . 0 0 "[ . 1 . 2]" 1
985 1 65 LEU QD 1 99 PRO HA . . 4.690 4.478 3.789 4.711 0.021 16 0 "[ . 1 . 2]" 1
986 1 65 LEU QD 1 99 PRO HB2 . . 4.100 3.457 2.916 3.853 . 0 0 "[ . 1 . 2]" 1
987 1 65 LEU QD 1 99 PRO HB3 . . 4.050 3.625 3.228 4.052 0.002 13 0 "[ . 1 . 2]" 1
988 1 65 LEU QD 1 102 PHE HB3 . . 5.440 5.251 4.238 5.447 0.007 5 0 "[ . 1 . 2]" 1
989 1 65 LEU QD 1 103 ARG QD . . 4.130 3.268 2.446 4.129 . 0 0 "[ . 1 . 2]" 1
990 1 65 LEU HG 1 66 SER H . . 5.500 4.894 4.455 5.103 . 0 0 "[ . 1 . 2]" 1
991 1 65 LEU HG 1 75 VAL MG1 . . 3.770 2.339 1.919 3.781 0.011 6 0 "[ . 1 . 2]" 1
992 1 65 LEU HG 1 75 VAL MG2 . . 4.530 2.374 1.919 3.481 . 0 0 "[ . 1 . 2]" 1
993 1 66 SER H 1 66 SER QB . . 3.620 2.258 2.142 2.359 . 0 0 "[ . 1 . 2]" 1
994 1 66 SER H 1 67 THR H . . 3.470 2.401 2.234 2.550 . 0 0 "[ . 1 . 2]" 1
995 1 66 SER H 1 67 THR MG . . 4.900 3.777 3.498 3.963 . 0 0 "[ . 1 . 2]" 1
996 1 66 SER H 1 68 THR H . . 5.130 3.719 3.586 3.820 . 0 0 "[ . 1 . 2]" 1
997 1 66 SER HA 1 67 THR HA . . 4.920 4.588 4.519 4.629 . 0 0 "[ . 1 . 2]" 1
998 1 66 SER QB 1 67 THR HA . . 5.060 4.312 4.033 4.653 . 0 0 "[ . 1 . 2]" 1
999 1 66 SER QB 1 67 THR MG . . 4.710 4.035 3.662 4.601 . 0 0 "[ . 1 . 2]" 1
1000 1 67 THR H 1 67 THR HB . . 4.180 2.879 2.585 3.161 . 0 0 "[ . 1 . 2]" 1
1001 1 67 THR H 1 67 THR MG . . 3.540 2.174 1.915 2.368 . 0 0 "[ . 1 . 2]" 1
1002 1 67 THR H 1 68 THR H . . 3.090 2.221 1.980 2.421 . 0 0 "[ . 1 . 2]" 1
1003 1 67 THR HA 1 67 THR MG . . 3.390 3.194 3.174 3.207 . 0 0 "[ . 1 . 2]" 1
1004 1 67 THR HB 1 68 THR MG . . 4.940 4.293 4.030 4.504 . 0 0 "[ . 1 . 2]" 1
1005 1 68 THR H 1 68 THR HB . . 4.170 3.879 3.863 3.897 . 0 0 "[ . 1 . 2]" 1
1006 1 68 THR H 1 68 THR MG . . 3.510 2.853 2.705 2.981 . 0 0 "[ . 1 . 2]" 1
1007 1 68 THR H 1 69 ARG H . . 5.470 4.443 4.419 4.454 . 0 0 "[ . 1 . 2]" 1
1008 1 68 THR HA 1 68 THR MG . . 3.240 2.417 2.326 2.504 . 0 0 "[ . 1 . 2]" 1
1009 1 68 THR HA 1 70 MET H . . 4.410 4.054 3.826 4.164 . 0 0 "[ . 1 . 2]" 1
1010 1 68 THR HB 1 69 ARG H . . 3.630 2.439 2.277 2.830 . 0 0 "[ . 1 . 2]" 1
1011 1 68 THR HB 1 70 MET H . . 3.190 2.676 2.525 2.922 . 0 0 "[ . 1 . 2]" 1
1012 1 68 THR HB 1 70 MET ME . . 4.000 2.463 1.959 3.049 . 0 0 "[ . 1 . 2]" 1
1013 1 68 THR HB 1 70 MET HG3 . . 4.400 2.807 2.265 3.245 . 0 0 "[ . 1 . 2]" 1
1014 1 68 THR MG 1 69 ARG H . . 4.930 3.834 3.745 3.959 . 0 0 "[ . 1 . 2]" 1
1015 1 68 THR MG 1 70 MET H . . 4.390 4.156 4.099 4.195 . 0 0 "[ . 1 . 2]" 1
1016 1 68 THR MG 1 70 MET HB2 . . 5.190 4.477 4.310 4.733 . 0 0 "[ . 1 . 2]" 1
1017 1 68 THR MG 1 70 MET ME . . 4.010 2.340 2.062 3.224 . 0 0 "[ . 1 . 2]" 1
1018 1 69 ARG H 1 69 ARG QG . . 4.550 2.764 1.967 4.223 . 0 0 "[ . 1 . 2]" 1
1019 1 69 ARG H 1 70 MET H . . 3.840 2.306 2.265 2.510 . 0 0 "[ . 1 . 2]" 1
1020 1 69 ARG HA 1 69 ARG QD . . 3.820 3.458 2.237 3.825 0.005 10 0 "[ . 1 . 2]" 1
1021 1 69 ARG HA 1 69 ARG QG . . 3.670 3.132 2.075 3.442 . 0 0 "[ . 1 . 2]" 1
1022 1 69 ARG QG 1 70 MET H . . 5.340 3.767 3.369 4.789 . 0 0 "[ . 1 . 2]" 1
1023 1 70 MET H 1 70 MET HB2 . . 3.510 2.386 2.260 2.607 . 0 0 "[ . 1 . 2]" 1
1024 1 70 MET H 1 70 MET HB3 . . 4.100 3.571 3.536 3.596 . 0 0 "[ . 1 . 2]" 1
1025 1 70 MET H 1 70 MET HG3 . . 3.840 2.425 2.006 2.742 . 0 0 "[ . 1 . 2]" 1
1026 1 70 MET H 1 75 VAL MG2 . . 4.840 3.912 3.720 4.116 . 0 0 "[ . 1 . 2]" 1
1027 1 70 MET HA 1 70 MET HG2 . . 4.120 2.505 2.305 2.661 . 0 0 "[ . 1 . 2]" 1
1028 1 70 MET HA 1 71 PRO HB2 . . 5.500 5.604 5.587 5.624 0.124 6 0 "[ . 1 . 2]" 1
1029 1 70 MET HA 1 71 PRO HD2 . . 3.400 2.437 2.397 2.480 . 0 0 "[ . 1 . 2]" 1
1030 1 70 MET HA 1 71 PRO HD3 . . 3.690 2.315 2.299 2.334 . 0 0 "[ . 1 . 2]" 1
1031 1 70 MET HB2 1 70 MET ME . . 2.660 2.073 1.955 2.279 . 0 0 "[ . 1 . 2]" 1
1032 1 70 MET HB2 1 71 PRO HD2 . . 4.940 3.582 3.469 3.609 . 0 0 "[ . 1 . 2]" 1
1033 1 70 MET HB2 1 74 THR HB . . 4.520 3.567 3.069 4.082 . 0 0 "[ . 1 . 2]" 1
1034 1 70 MET HB2 1 74 THR MG . . 4.180 3.635 3.253 4.009 . 0 0 "[ . 1 . 2]" 1
1035 1 70 MET HB2 1 75 VAL H . . 4.970 4.206 3.833 4.467 . 0 0 "[ . 1 . 2]" 1
1036 1 70 MET HB2 1 75 VAL HB . . 5.320 5.296 5.208 5.341 0.021 12 0 "[ . 1 . 2]" 1
1037 1 70 MET HB2 1 75 VAL MG2 . . 4.120 2.430 2.305 2.494 . 0 0 "[ . 1 . 2]" 1
1038 1 70 MET HB3 1 70 MET ME . . 3.500 3.096 2.581 3.241 . 0 0 "[ . 1 . 2]" 1
1039 1 70 MET HB3 1 74 THR HB . . 4.650 2.173 2.011 2.470 . 0 0 "[ . 1 . 2]" 1
1040 1 70 MET HB3 1 74 THR MG . . 4.270 2.747 2.430 3.023 . 0 0 "[ . 1 . 2]" 1
1041 1 70 MET HB3 1 75 VAL MG2 . . 3.990 2.927 2.553 3.418 . 0 0 "[ . 1 . 2]" 1
1042 1 70 MET ME 1 70 MET HG3 . . 3.380 2.449 2.326 2.574 . 0 0 "[ . 1 . 2]" 1
1043 1 70 MET ME 1 71 PRO HD2 . . 5.390 4.747 4.092 4.892 . 0 0 "[ . 1 . 2]" 1
1044 1 70 MET ME 1 74 THR MG . . 3.970 3.011 2.222 3.351 . 0 0 "[ . 1 . 2]" 1
1045 1 70 MET ME 1 75 VAL HA . . 4.610 3.483 2.562 3.981 . 0 0 "[ . 1 . 2]" 1
1046 1 70 MET ME 1 75 VAL MG1 . . 5.430 3.945 3.607 4.291 . 0 0 "[ . 1 . 2]" 1
1047 1 70 MET ME 1 75 VAL MG2 . . 3.020 2.734 2.380 2.926 . 0 0 "[ . 1 . 2]" 1
1048 1 70 MET ME 1 78 ASN HD21 . . 4.690 3.223 2.400 4.078 . 0 0 "[ . 1 . 2]" 1
1049 1 70 MET ME 1 78 ASN HD22 . . 4.690 2.774 2.027 3.525 . 0 0 "[ . 1 . 2]" 1
1050 1 70 MET HG2 1 71 PRO HD2 . . 4.940 3.064 2.654 3.612 . 0 0 "[ . 1 . 2]" 1
1051 1 70 MET HG2 1 71 PRO HD3 . . 4.870 3.894 3.562 4.398 . 0 0 "[ . 1 . 2]" 1
1052 1 70 MET HG2 1 74 THR HB . . 4.600 4.113 3.767 4.597 . 0 0 "[ . 1 . 2]" 1
1053 1 70 MET HG2 1 74 THR MG . . 3.790 3.258 2.805 3.674 . 0 0 "[ . 1 . 2]" 1
1054 1 70 MET HG3 1 74 THR MG . . 4.920 4.159 3.922 4.391 . 0 0 "[ . 1 . 2]" 1
1055 1 70 MET HG3 1 75 VAL MG2 . . 4.510 4.471 4.298 4.522 0.012 16 0 "[ . 1 . 2]" 1
1056 1 71 PRO HA 1 72 ILE H . . 3.180 2.345 2.259 2.383 . 0 0 "[ . 1 . 2]" 1
1057 1 71 PRO HA 1 73 ALA H . . 5.060 4.136 4.013 4.184 . 0 0 "[ . 1 . 2]" 1
1058 1 71 PRO HB2 1 73 ALA MB . . 4.280 2.884 2.733 3.101 . 0 0 "[ . 1 . 2]" 1
1059 1 71 PRO HB2 1 74 THR H . . 3.660 3.132 2.919 3.256 . 0 0 "[ . 1 . 2]" 1
1060 1 71 PRO HB2 1 74 THR HB . . 4.870 4.555 4.250 4.764 . 0 0 "[ . 1 . 2]" 1
1061 1 71 PRO HB3 1 72 ILE H . . 4.530 3.535 3.477 3.675 . 0 0 "[ . 1 . 2]" 1
1062 1 71 PRO HB3 1 73 ALA H . . 4.890 4.105 4.091 4.182 . 0 0 "[ . 1 . 2]" 1
1063 1 71 PRO HB3 1 74 THR H . . 4.820 4.553 4.408 4.642 . 0 0 "[ . 1 . 2]" 1
1064 1 71 PRO HD2 1 74 THR HB . . 4.090 2.435 2.261 2.562 . 0 0 "[ . 1 . 2]" 1
1065 1 71 PRO HD2 1 74 THR MG . . 4.510 3.282 3.111 3.360 . 0 0 "[ . 1 . 2]" 1
1066 1 71 PRO HD3 1 74 THR HB . . 4.300 4.135 3.961 4.258 . 0 0 "[ . 1 . 2]" 1
1067 1 71 PRO HD3 1 74 THR MG . . 4.800 4.737 4.564 4.819 0.019 20 0 "[ . 1 . 2]" 1
1068 1 71 PRO QG 1 74 THR H . . 4.470 2.156 2.101 2.262 . 0 0 "[ . 1 . 2]" 1
1069 1 72 ILE H 1 72 ILE HB . . 3.330 2.620 2.546 2.658 . 0 0 "[ . 1 . 2]" 1
1070 1 72 ILE H 1 72 ILE MD . . 4.310 3.247 2.870 3.579 . 0 0 "[ . 1 . 2]" 1
1071 1 72 ILE H 1 72 ILE HG12 . . 3.790 2.751 1.940 3.615 . 0 0 "[ . 1 . 2]" 1
1072 1 72 ILE H 1 72 ILE QG . . 3.320 1.963 1.924 2.085 . 0 0 "[ . 1 . 2]" 1
1073 1 72 ILE H 1 72 ILE HG13 . . 3.790 2.596 1.942 3.605 . 0 0 "[ . 1 . 2]" 1
1074 1 72 ILE H 1 72 ILE MG . . 4.410 3.763 3.760 3.766 . 0 0 "[ . 1 . 2]" 1
1075 1 72 ILE H 1 73 ALA H . . 3.840 2.677 2.617 2.788 . 0 0 "[ . 1 . 2]" 1
1076 1 72 ILE H 1 74 THR H . . 5.400 4.461 4.411 4.524 . 0 0 "[ . 1 . 2]" 1
1077 1 72 ILE HA 1 72 ILE MD . . 3.990 3.138 1.975 3.886 . 0 0 "[ . 1 . 2]" 1
1078 1 72 ILE HA 1 72 ILE HG12 . . 4.200 2.836 2.523 3.209 . 0 0 "[ . 1 . 2]" 1
1079 1 72 ILE HA 1 72 ILE HG13 . . 4.200 3.298 2.576 3.770 . 0 0 "[ . 1 . 2]" 1
1080 1 72 ILE HA 1 75 VAL HB . . 3.890 2.695 2.490 2.829 . 0 0 "[ . 1 . 2]" 1
1081 1 72 ILE HA 1 75 VAL MG2 . . 3.950 2.865 2.521 3.107 . 0 0 "[ . 1 . 2]" 1
1082 1 72 ILE HB 1 72 ILE MD . . 3.690 2.710 2.078 3.230 . 0 0 "[ . 1 . 2]" 1
1083 1 72 ILE HB 1 73 ALA H . . 3.370 2.848 2.749 2.862 . 0 0 "[ . 1 . 2]" 1
1084 1 72 ILE HB 1 73 ALA MB . . 4.960 4.129 4.056 4.169 . 0 0 "[ . 1 . 2]" 1
1085 1 72 ILE HB 1 84 GLN HB2 . . 5.140 3.554 2.677 4.751 . 0 0 "[ . 1 . 2]" 1
1086 1 72 ILE HB 1 84 GLN HB3 . . 5.140 4.508 3.874 5.145 0.005 20 0 "[ . 1 . 2]" 1
1087 1 72 ILE HB 1 84 GLN QG . . 5.340 3.860 2.056 5.184 . 0 0 "[ . 1 . 2]" 1
1088 1 72 ILE MD 1 72 ILE MG . . 3.180 2.033 1.916 2.572 . 0 0 "[ . 1 . 2]" 1
1089 1 72 ILE MD 1 73 ALA H . . 5.220 4.629 4.138 4.774 . 0 0 "[ . 1 . 2]" 1
1090 1 72 ILE MD 1 84 GLN QB . . 5.340 4.796 3.726 5.301 . 0 0 "[ . 1 . 2]" 1
1091 1 72 ILE MD 1 87 PHE QD . . 4.600 4.059 3.363 4.608 0.008 20 0 "[ . 1 . 2]" 1
1092 1 72 ILE MD 1 99 PRO HB2 . . 3.810 2.781 2.003 3.478 . 0 0 "[ . 1 . 2]" 1
1093 1 72 ILE MD 1 99 PRO HB3 . . 4.860 3.909 3.144 4.524 . 0 0 "[ . 1 . 2]" 1
1094 1 72 ILE MD 1 99 PRO QG . . 4.180 2.416 2.034 2.827 . 0 0 "[ . 1 . 2]" 1
1095 1 72 ILE MD 1 100 SER H . . 4.140 3.787 3.339 4.147 0.007 11 0 "[ . 1 . 2]" 1
1096 1 72 ILE MD 1 100 SER HA . . 4.130 3.701 3.195 4.124 . 0 0 "[ . 1 . 2]" 1
1097 1 72 ILE QG 1 99 PRO HB2 . . 4.720 3.510 2.604 4.171 . 0 0 "[ . 1 . 2]" 1
1098 1 72 ILE MG 1 73 ALA H . . 4.210 3.717 3.564 3.800 . 0 0 "[ . 1 . 2]" 1
1099 1 72 ILE MG 1 73 ALA HA . . 4.420 3.720 3.528 3.895 . 0 0 "[ . 1 . 2]" 1
1100 1 72 ILE MG 1 75 VAL HB . . 4.810 3.693 3.517 3.846 . 0 0 "[ . 1 . 2]" 1
1101 1 72 ILE MG 1 84 GLN QB . . 4.870 2.858 2.163 3.704 . 0 0 "[ . 1 . 2]" 1
1102 1 72 ILE MG 1 84 GLN QE . . 5.290 4.087 2.838 5.223 . 0 0 "[ . 1 . 2]" 1
1103 1 72 ILE MG 1 84 GLN HG2 . . 5.240 4.080 1.927 5.222 . 0 0 "[ . 1 . 2]" 1
1104 1 72 ILE MG 1 84 GLN QG . . 4.400 3.320 1.837 4.409 0.009 3 0 "[ . 1 . 2]" 1
1105 1 72 ILE MG 1 84 GLN HG3 . . 5.240 3.606 1.919 4.966 . 0 0 "[ . 1 . 2]" 1
1106 1 72 ILE MG 1 87 PHE QD . . 3.590 2.179 1.921 2.456 . 0 0 "[ . 1 . 2]" 1
1107 1 72 ILE MG 1 87 PHE QE . . 3.370 3.104 2.812 3.375 0.005 14 0 "[ . 1 . 2]" 1
1108 1 72 ILE MG 1 88 SER HA . . 4.940 4.134 3.791 4.342 . 0 0 "[ . 1 . 2]" 1
1109 1 72 ILE MG 1 99 PRO HB2 . . 4.050 3.888 3.706 4.054 0.004 16 0 "[ . 1 . 2]" 1
1110 1 72 ILE MG 1 99 PRO HB3 . . 4.320 4.299 4.166 4.331 0.011 11 0 "[ . 1 . 2]" 1
1111 1 72 ILE MG 1 99 PRO QG . . 3.940 2.893 2.655 3.152 . 0 0 "[ . 1 . 2]" 1
1112 1 73 ALA H 1 73 ALA MB . . 2.990 2.188 2.140 2.229 . 0 0 "[ . 1 . 2]" 1
1113 1 73 ALA H 1 74 THR H . . 3.680 2.695 2.662 2.770 . 0 0 "[ . 1 . 2]" 1
1114 1 73 ALA HA 1 76 GLY H . . 4.430 3.787 3.675 3.862 . 0 0 "[ . 1 . 2]" 1
1115 1 73 ALA HA 1 84 GLN HB2 . . 4.360 2.984 2.004 3.994 . 0 0 "[ . 1 . 2]" 1
1116 1 73 ALA HA 1 84 GLN QB . . 3.760 2.310 1.917 2.804 . 0 0 "[ . 1 . 2]" 1
1117 1 73 ALA HA 1 84 GLN HB3 . . 4.360 2.950 1.993 4.367 0.007 20 0 "[ . 1 . 2]" 1
1118 1 73 ALA HA 1 84 GLN QG . . 4.620 3.864 2.281 4.583 . 0 0 "[ . 1 . 2]" 1
1119 1 73 ALA MB 1 74 THR H . . 4.090 2.482 2.424 2.531 . 0 0 "[ . 1 . 2]" 1
1120 1 73 ALA MB 1 84 GLN HA . . 5.320 4.554 4.213 4.870 . 0 0 "[ . 1 . 2]" 1
1121 1 73 ALA MB 1 84 GLN HB2 . . 4.290 3.377 2.722 4.081 . 0 0 "[ . 1 . 2]" 1
1122 1 73 ALA MB 1 84 GLN HB3 . . 4.290 3.183 2.201 4.097 . 0 0 "[ . 1 . 2]" 1
1123 1 73 ALA MB 1 84 GLN QE . . 4.670 3.615 2.189 4.413 . 0 0 "[ . 1 . 2]" 1
1124 1 73 ALA MB 1 84 GLN QG . . 4.280 3.730 3.096 4.055 . 0 0 "[ . 1 . 2]" 1
1125 1 74 THR H 1 74 THR HB . . 3.310 2.532 2.497 2.632 . 0 0 "[ . 1 . 2]" 1
1126 1 74 THR H 1 74 THR MG . . 4.340 3.767 3.764 3.773 . 0 0 "[ . 1 . 2]" 1
1127 1 74 THR H 1 75 VAL H . . 3.350 2.670 2.562 2.734 . 0 0 "[ . 1 . 2]" 1
1128 1 74 THR H 1 75 VAL MG2 . . 5.040 4.127 4.003 4.231 . 0 0 "[ . 1 . 2]" 1
1129 1 74 THR H 1 76 GLY H . . 5.010 4.097 4.045 4.175 . 0 0 "[ . 1 . 2]" 1
1130 1 74 THR HA 1 74 THR MG . . 3.390 2.373 2.286 2.415 . 0 0 "[ . 1 . 2]" 1
1131 1 74 THR HA 1 77 ARG H . . 4.020 3.597 3.496 3.754 . 0 0 "[ . 1 . 2]" 1
1132 1 74 THR HA 1 77 ARG QB . . 3.660 3.118 2.978 3.416 . 0 0 "[ . 1 . 2]" 1
1133 1 74 THR HB 1 75 VAL H . . 3.710 2.476 2.381 2.647 . 0 0 "[ . 1 . 2]" 1
1134 1 74 THR HB 1 75 VAL MG2 . . 5.020 3.172 3.081 3.326 . 0 0 "[ . 1 . 2]" 1
1135 1 74 THR MG 1 75 VAL H . . 4.580 3.346 3.244 3.480 . 0 0 "[ . 1 . 2]" 1
1136 1 74 THR MG 1 75 VAL HA . . 4.560 3.401 3.309 3.582 . 0 0 "[ . 1 . 2]" 1
1137 1 74 THR MG 1 77 ARG QB . . 4.720 3.614 3.338 3.878 . 0 0 "[ . 1 . 2]" 1
1138 1 74 THR MG 1 78 ASN HD21 . . 4.010 3.558 3.099 4.022 0.012 14 0 "[ . 1 . 2]" 1
1139 1 74 THR MG 1 78 ASN HD22 . . 4.010 3.369 2.394 4.027 0.017 10 0 "[ . 1 . 2]" 1
1140 1 75 VAL H 1 75 VAL HB . . 3.420 2.598 2.493 2.674 . 0 0 "[ . 1 . 2]" 1
1141 1 75 VAL H 1 75 VAL MG2 . . 3.190 2.164 2.065 2.337 . 0 0 "[ . 1 . 2]" 1
1142 1 75 VAL H 1 76 GLY H . . 3.750 2.745 2.634 2.767 . 0 0 "[ . 1 . 2]" 1
1143 1 75 VAL HA 1 75 VAL MG1 . . 3.590 2.363 2.232 2.407 . 0 0 "[ . 1 . 2]" 1
1144 1 75 VAL HA 1 75 VAL MG2 . . 3.510 2.361 2.308 2.405 . 0 0 "[ . 1 . 2]" 1
1145 1 75 VAL HA 1 78 ASN HB2 . . 4.690 2.988 2.651 3.365 . 0 0 "[ . 1 . 2]" 1
1146 1 75 VAL HA 1 78 ASN QB . . 3.830 2.946 2.625 3.290 . 0 0 "[ . 1 . 2]" 1
1147 1 75 VAL HA 1 78 ASN HB3 . . 4.690 4.497 4.226 4.726 0.036 1 0 "[ . 1 . 2]" 1
1148 1 75 VAL HB 1 76 GLY H . . 3.500 2.625 2.572 2.640 . 0 0 "[ . 1 . 2]" 1
1149 1 75 VAL MG1 1 76 GLY H . . 4.180 3.530 3.421 3.642 . 0 0 "[ . 1 . 2]" 1
1150 1 75 VAL MG1 1 78 ASN H . . 5.500 4.217 4.027 4.352 . 0 0 "[ . 1 . 2]" 1
1151 1 75 VAL MG1 1 78 ASN QB . . 4.790 3.142 2.918 3.335 . 0 0 "[ . 1 . 2]" 1
1152 1 75 VAL MG1 1 78 ASN QD . . 5.340 3.457 2.666 4.224 . 0 0 "[ . 1 . 2]" 1
1153 1 75 VAL MG1 1 87 PHE HZ . . 3.960 3.623 3.204 3.954 . 0 0 "[ . 1 . 2]" 1
1154 1 75 VAL MG2 1 76 GLY H . . 4.690 3.817 3.745 3.867 . 0 0 "[ . 1 . 2]" 1
1155 1 76 GLY H 1 77 ARG QB . . 5.160 4.576 4.435 4.804 . 0 0 "[ . 1 . 2]" 1
1156 1 76 GLY QA 1 79 VAL MG2 . . 3.600 2.090 1.951 2.263 . 0 0 "[ . 1 . 2]" 1
1157 1 76 GLY QA 1 81 PHE HB2 . . 4.040 2.584 2.188 2.934 . 0 0 "[ . 1 . 2]" 1
1158 1 76 GLY QA 1 81 PHE QD . . 4.070 3.761 3.158 4.060 . 0 0 "[ . 1 . 2]" 1
1159 1 76 GLY HA2 1 79 VAL MG2 . . 4.160 2.109 1.962 2.290 . 0 0 "[ . 1 . 2]" 1
1160 1 76 GLY HA3 1 79 VAL MG2 . . 4.160 3.416 3.261 3.536 . 0 0 "[ . 1 . 2]" 1
1161 1 77 ARG H 1 77 ARG QB . . 3.140 2.212 2.047 2.404 . 0 0 "[ . 1 . 2]" 1
1162 1 77 ARG H 1 77 ARG HD2 . . 5.500 4.490 3.030 5.425 . 0 0 "[ . 1 . 2]" 1
1163 1 77 ARG H 1 77 ARG HD3 . . 5.500 4.582 2.925 5.340 . 0 0 "[ . 1 . 2]" 1
1164 1 77 ARG H 1 77 ARG QG . . 4.490 2.972 2.307 4.058 . 0 0 "[ . 1 . 2]" 1
1165 1 77 ARG H 1 78 ASN H . . 3.710 2.629 2.514 2.713 . 0 0 "[ . 1 . 2]" 1
1166 1 77 ARG H 1 79 VAL H . . 4.740 4.152 4.010 4.216 . 0 0 "[ . 1 . 2]" 1
1167 1 77 ARG HA 1 77 ARG HD2 . . 5.500 4.217 2.206 4.851 . 0 0 "[ . 1 . 2]" 1
1168 1 77 ARG HA 1 77 ARG QD . . 4.830 3.643 1.975 4.181 . 0 0 "[ . 1 . 2]" 1
1169 1 77 ARG HA 1 77 ARG HD3 . . 5.500 4.126 1.988 4.635 . 0 0 "[ . 1 . 2]" 1
1170 1 77 ARG HA 1 77 ARG QG . . 3.560 2.280 2.022 2.591 . 0 0 "[ . 1 . 2]" 1
1171 1 77 ARG HA 1 79 VAL H . . 4.710 3.987 3.712 4.078 . 0 0 "[ . 1 . 2]" 1
1172 1 77 ARG HA 1 80 GLY H . . 4.050 3.424 3.191 3.620 . 0 0 "[ . 1 . 2]" 1
1173 1 77 ARG HA 1 81 PHE H . . 4.090 3.252 2.475 3.589 . 0 0 "[ . 1 . 2]" 1
1174 1 77 ARG HA 1 81 PHE HA . . 5.120 4.950 4.421 5.173 0.053 10 0 "[ . 1 . 2]" 1
1175 1 77 ARG HA 1 82 ASP H . . 5.270 5.072 4.527 5.294 0.024 5 0 "[ . 1 . 2]" 1
1176 1 77 ARG HA 1 82 ASP HA . . 4.500 3.859 3.511 4.362 . 0 0 "[ . 1 . 2]" 1
1177 1 77 ARG QB 1 78 ASN H . . 3.780 2.784 2.728 2.843 . 0 0 "[ . 1 . 2]" 1
1178 1 77 ARG QB 1 78 ASN HA . . 5.270 3.870 3.794 3.909 . 0 0 "[ . 1 . 2]" 1
1179 1 77 ARG HG2 1 82 ASP HA . . 4.410 3.723 2.877 4.544 0.134 9 0 "[ . 1 . 2]" 1
1180 1 77 ARG HG3 1 82 ASP HA . . 4.410 3.912 2.757 4.499 0.089 9 0 "[ . 1 . 2]" 1
1181 1 78 ASN H 1 78 ASN HB2 . . 3.930 2.270 2.074 2.700 . 0 0 "[ . 1 . 2]" 1
1182 1 78 ASN H 1 78 ASN QB . . 3.160 2.240 2.054 2.626 . 0 0 "[ . 1 . 2]" 1
1183 1 78 ASN H 1 78 ASN HB3 . . 3.930 3.483 3.335 3.590 . 0 0 "[ . 1 . 2]" 1
1184 1 78 ASN H 1 78 ASN QD . . 4.890 3.027 1.882 3.554 . 0 0 "[ . 1 . 2]" 1
1185 1 78 ASN H 1 79 VAL H . . 3.670 2.630 2.554 2.671 . 0 0 "[ . 1 . 2]" 1
1186 1 78 ASN H 1 79 VAL MG1 . . 5.500 4.432 4.218 5.574 0.074 16 0 "[ . 1 . 2]" 1
1187 1 78 ASN H 1 81 PHE H . . 4.950 4.811 4.576 4.951 0.001 12 0 "[ . 1 . 2]" 1
1188 1 78 ASN QB 1 79 VAL MG1 . . 4.290 3.053 2.761 4.326 0.036 16 0 "[ . 1 . 2]" 1
1189 1 78 ASN HB2 1 79 VAL H . . 4.840 3.053 2.839 3.348 . 0 0 "[ . 1 . 2]" 1
1190 1 78 ASN HB3 1 79 VAL H . . 4.840 3.569 3.229 4.245 . 0 0 "[ . 1 . 2]" 1
1191 1 79 VAL H 1 79 VAL MG1 . . 3.810 2.690 2.499 3.764 . 0 0 "[ . 1 . 2]" 1
1192 1 79 VAL H 1 79 VAL MG2 . . 3.510 1.979 1.851 2.088 . 0 0 "[ . 1 . 2]" 1
1193 1 79 VAL H 1 81 PHE H . . 4.740 3.195 3.014 3.384 . 0 0 "[ . 1 . 2]" 1
1194 1 79 VAL HA 1 79 VAL MG1 . . 3.390 2.302 2.113 2.424 . 0 0 "[ . 1 . 2]" 1
1195 1 79 VAL MG2 1 80 GLY H . . 5.050 3.229 2.864 3.516 . 0 0 "[ . 1 . 2]" 1
1196 1 79 VAL MG2 1 81 PHE H . . 4.580 2.100 1.898 3.701 . 0 0 "[ . 1 . 2]" 1
1197 1 80 GLY H 1 81 PHE H . . 3.290 2.517 2.238 2.615 . 0 0 "[ . 1 . 2]" 1
1198 1 80 GLY HA3 1 81 PHE QD . . 4.750 4.147 3.643 4.759 0.009 12 0 "[ . 1 . 2]" 1
1199 1 80 GLY HA3 1 81 PHE QE . . 5.500 5.246 4.827 5.505 0.005 6 0 "[ . 1 . 2]" 1
1200 1 81 PHE H 1 81 PHE HB2 . . 3.740 2.355 2.218 2.614 . 0 0 "[ . 1 . 2]" 1
1201 1 81 PHE HA 1 82 ASP H . . 2.980 2.139 2.138 2.140 . 0 0 "[ . 1 . 2]" 1
1202 1 81 PHE HB2 1 87 PHE QB . . 4.800 2.997 2.557 3.495 . 0 0 "[ . 1 . 2]" 1
1203 1 81 PHE HB2 1 87 PHE QD . . 4.580 4.236 3.704 4.580 . 0 0 "[ . 1 . 2]" 1
1204 1 81 PHE HB3 1 82 ASP H . . 4.510 3.556 3.527 3.589 . 0 0 "[ . 1 . 2]" 1
1205 1 81 PHE HB3 1 83 ASP H . . 4.130 3.470 3.339 3.644 . 0 0 "[ . 1 . 2]" 1
1206 1 81 PHE HB3 1 86 TYR QD . . 3.540 3.460 3.011 3.595 0.055 2 0 "[ . 1 . 2]" 1
1207 1 81 PHE HB3 1 87 PHE QB . . 4.850 2.859 2.502 3.277 . 0 0 "[ . 1 . 2]" 1
1208 1 81 PHE QD 1 83 ASP H . . 5.390 4.607 4.369 4.948 . 0 0 "[ . 1 . 2]" 1
1209 1 81 PHE QD 1 87 PHE QB . . 4.020 2.202 1.975 2.566 . 0 0 "[ . 1 . 2]" 1
1210 1 81 PHE QE 1 87 PHE HA . . 3.840 2.973 2.068 3.857 0.017 12 0 "[ . 1 . 2]" 1
1211 1 82 ASP H 1 82 ASP QB . . 3.400 2.422 2.216 2.723 . 0 0 "[ . 1 . 2]" 1
1212 1 82 ASP H 1 83 ASP H . . 3.290 2.333 2.226 2.401 . 0 0 "[ . 1 . 2]" 1
1213 1 82 ASP QB 1 83 ASP H . . 3.730 3.095 2.775 3.560 . 0 0 "[ . 1 . 2]" 1
1214 1 83 ASP H 1 83 ASP QB . . 3.260 2.301 2.187 2.666 . 0 0 "[ . 1 . 2]" 1
1215 1 83 ASP H 1 84 GLN H . . 5.220 4.410 4.314 4.441 . 0 0 "[ . 1 . 2]" 1
1216 1 83 ASP H 1 86 TYR QB . . 4.560 3.383 3.274 3.528 . 0 0 "[ . 1 . 2]" 1
1217 1 83 ASP H 1 86 TYR QD . . 5.000 4.054 3.268 5.025 0.025 17 0 "[ . 1 . 2]" 1
1218 1 83 ASP HA 1 84 GLN H . . 2.950 2.139 2.139 2.140 . 0 0 "[ . 1 . 2]" 1
1219 1 83 ASP HA 1 85 LEU H . . 4.540 3.844 3.717 3.892 . 0 0 "[ . 1 . 2]" 1
1220 1 83 ASP QB 1 85 LEU H . . 4.880 3.324 2.985 4.163 . 0 0 "[ . 1 . 2]" 1
1221 1 83 ASP QB 1 86 TYR H . . 4.060 2.366 2.123 2.873 . 0 0 "[ . 1 . 2]" 1
1222 1 83 ASP QB 1 86 TYR QB . . 4.600 1.967 1.861 2.134 . 0 0 "[ . 1 . 2]" 1
1223 1 84 GLN H 1 84 GLN HB2 . . 3.720 3.247 2.538 3.591 . 0 0 "[ . 1 . 2]" 1
1224 1 84 GLN H 1 84 GLN HB3 . . 3.720 2.522 2.369 2.698 . 0 0 "[ . 1 . 2]" 1
1225 1 84 GLN H 1 84 GLN QG . . 4.400 2.782 1.916 4.032 . 0 0 "[ . 1 . 2]" 1
1226 1 84 GLN H 1 85 LEU H . . 3.860 2.665 2.627 2.694 . 0 0 "[ . 1 . 2]" 1
1227 1 84 GLN HA 1 87 PHE H . . 4.200 3.650 3.525 3.743 . 0 0 "[ . 1 . 2]" 1
1228 1 84 GLN HA 1 87 PHE QB . . 3.560 3.178 2.889 3.314 . 0 0 "[ . 1 . 2]" 1
1229 1 84 GLN HA 1 87 PHE QD . . 4.670 4.440 3.975 4.686 0.016 16 0 "[ . 1 . 2]" 1
1230 1 84 GLN QB 1 85 LEU H . . 3.880 3.137 2.587 3.508 . 0 0 "[ . 1 . 2]" 1
1231 1 84 GLN HB2 1 85 LEU H . . 4.580 3.818 3.626 4.025 . 0 0 "[ . 1 . 2]" 1
1232 1 84 GLN HB3 1 85 LEU H . . 4.580 3.502 2.625 4.037 . 0 0 "[ . 1 . 2]" 1
1233 1 84 GLN QE 1 85 LEU QD . . 4.490 3.405 2.729 4.465 . 0 0 "[ . 1 . 2]" 1
1234 1 84 GLN QG 1 85 LEU H . . 4.350 2.610 1.926 3.996 . 0 0 "[ . 1 . 2]" 1
1235 1 84 GLN QG 1 85 LEU QD . . 4.770 2.930 1.762 4.448 . 0 0 "[ . 1 . 2]" 1
1236 1 84 GLN HG2 1 85 LEU H . . 4.950 3.033 1.964 4.252 . 0 0 "[ . 1 . 2]" 1
1237 1 84 GLN HG3 1 85 LEU H . . 4.950 3.247 1.947 4.950 . 7 0 "[ . 1 . 2]" 1
1238 1 85 LEU H 1 85 LEU HB2 . . 3.330 2.289 2.143 2.615 . 0 0 "[ . 1 . 2]" 1
1239 1 85 LEU H 1 85 LEU HB3 . . 4.110 3.526 3.462 3.590 . 0 0 "[ . 1 . 2]" 1
1240 1 85 LEU H 1 85 LEU QD . . 4.420 2.784 1.911 3.411 . 0 0 "[ . 1 . 2]" 1
1241 1 85 LEU H 1 85 LEU HG . . 4.330 3.120 2.050 4.086 . 0 0 "[ . 1 . 2]" 1
1242 1 85 LEU H 1 86 TYR H . . 3.310 2.573 2.546 2.648 . 0 0 "[ . 1 . 2]" 1
1243 1 85 LEU H 1 86 TYR QB . . 4.720 4.322 4.289 4.394 . 0 0 "[ . 1 . 2]" 1
1244 1 85 LEU HA 1 85 LEU MD1 . . 4.530 3.194 1.998 3.955 . 0 0 "[ . 1 . 2]" 1
1245 1 85 LEU HA 1 85 LEU QD . . 3.230 2.145 1.930 2.650 . 0 0 "[ . 1 . 2]" 1
1246 1 85 LEU HA 1 85 LEU MD2 . . 4.530 2.399 1.961 3.724 . 0 0 "[ . 1 . 2]" 1
1247 1 85 LEU HA 1 85 LEU HG . . 4.050 3.132 2.388 3.696 . 0 0 "[ . 1 . 2]" 1
1248 1 85 LEU HA 1 88 SER H . . 4.010 3.451 3.344 3.594 . 0 0 "[ . 1 . 2]" 1
1249 1 85 LEU HA 1 88 SER QB . . 4.930 3.058 2.452 3.693 . 0 0 "[ . 1 . 2]" 1
1250 1 85 LEU HA 1 89 ARG QG . . 4.950 3.988 3.699 4.572 . 0 0 "[ . 1 . 2]" 1
1251 1 85 LEU HB2 1 86 TYR H . . 3.800 2.862 2.651 2.992 . 0 0 "[ . 1 . 2]" 1
1252 1 85 LEU HB2 1 86 TYR HB2 . . 5.500 4.673 4.362 4.933 . 0 0 "[ . 1 . 2]" 1
1253 1 85 LEU HB2 1 86 TYR QB . . 4.840 4.362 4.078 4.542 . 0 0 "[ . 1 . 2]" 1
1254 1 85 LEU HB2 1 86 TYR HB3 . . 5.500 5.246 4.898 5.515 0.015 17 0 "[ . 1 . 2]" 1
1255 1 85 LEU HB3 1 86 TYR H . . 3.920 3.573 3.382 3.906 . 0 0 "[ . 1 . 2]" 1
1256 1 85 LEU HB3 1 89 ARG HD2 . . 5.500 3.860 2.640 5.527 0.027 16 0 "[ . 1 . 2]" 1
1257 1 85 LEU HB3 1 89 ARG QD . . 4.770 3.458 2.509 4.783 0.013 12 0 "[ . 1 . 2]" 1
1258 1 85 LEU HB3 1 89 ARG HD3 . . 5.500 4.277 2.798 5.506 0.006 12 0 "[ . 1 . 2]" 1
1259 1 85 LEU HB3 1 89 ARG QG . . 4.240 3.371 3.007 3.962 . 0 0 "[ . 1 . 2]" 1
1260 1 86 TYR H 1 86 TYR QB . . 2.990 2.242 2.210 2.256 . 0 0 "[ . 1 . 2]" 1
1261 1 86 TYR H 1 86 TYR QD . . 4.870 4.189 4.172 4.201 . 0 0 "[ . 1 . 2]" 1
1262 1 86 TYR H 1 87 PHE H . . 3.470 2.735 2.679 2.787 . 0 0 "[ . 1 . 2]" 1
1263 1 86 TYR HA 1 86 TYR QD . . 3.230 2.541 2.094 3.134 . 0 0 "[ . 1 . 2]" 1
1264 1 86 TYR HA 1 86 TYR QE . . 4.920 4.571 4.426 4.727 . 0 0 "[ . 1 . 2]" 1
1265 1 86 TYR HA 1 89 ARG H . . 4.320 3.590 3.344 3.670 . 0 0 "[ . 1 . 2]" 1
1266 1 86 TYR HA 1 89 ARG HB2 . . 3.960 2.668 2.480 3.392 . 0 0 "[ . 1 . 2]" 1
1267 1 86 TYR HA 1 89 ARG HB3 . . 4.760 4.169 3.956 4.593 . 0 0 "[ . 1 . 2]" 1
1268 1 86 TYR HA 1 89 ARG HG2 . . 5.150 4.702 2.178 5.139 . 0 0 "[ . 1 . 2]" 1
1269 1 86 TYR HA 1 89 ARG HG3 . . 5.150 3.938 2.958 4.450 . 0 0 "[ . 1 . 2]" 1
1270 1 86 TYR QB 1 89 ARG HB2 . . 5.340 4.652 4.493 4.945 . 0 0 "[ . 1 . 2]" 1
1271 1 86 TYR QD 1 90 VAL HB . . 4.890 4.460 3.681 4.930 0.040 16 0 "[ . 1 . 2]" 1
1272 1 86 TYR QD 1 90 VAL QG . . 3.510 3.009 2.572 3.596 0.086 2 0 "[ . 1 . 2]" 1
1273 1 86 TYR QE 1 87 PHE HA . . 5.250 4.820 4.343 5.208 . 0 0 "[ . 1 . 2]" 1
1274 1 86 TYR QE 1 90 VAL HB . . 4.500 4.221 2.871 4.518 0.018 5 0 "[ . 1 . 2]" 1
1275 1 86 TYR QE 1 90 VAL MG1 . . 4.380 4.009 3.299 4.356 . 0 0 "[ . 1 . 2]" 1
1276 1 86 TYR QE 1 90 VAL QG . . 3.240 2.616 2.078 3.244 0.004 2 0 "[ . 1 . 2]" 1
1277 1 86 TYR QE 1 90 VAL MG2 . . 4.380 2.821 2.082 4.359 . 0 0 "[ . 1 . 2]" 1
1278 1 87 PHE H 1 87 PHE QB . . 3.110 2.234 2.220 2.247 . 0 0 "[ . 1 . 2]" 1
1279 1 87 PHE H 1 88 SER H . . 3.670 2.667 2.603 2.758 . 0 0 "[ . 1 . 2]" 1
1280 1 87 PHE H 1 89 ARG H . . 5.430 4.043 3.968 4.268 . 0 0 "[ . 1 . 2]" 1
1281 1 87 PHE HA 1 87 PHE QD . . 3.460 2.512 2.303 2.838 . 0 0 "[ . 1 . 2]" 1
1282 1 87 PHE HA 1 87 PHE QE . . 4.840 4.610 4.530 4.732 . 0 0 "[ . 1 . 2]" 1
1283 1 87 PHE HA 1 90 VAL H . . 4.690 3.705 3.617 3.768 . 0 0 "[ . 1 . 2]" 1
1284 1 87 PHE HA 1 90 VAL HB . . 4.580 3.544 3.192 4.514 . 0 0 "[ . 1 . 2]" 1
1285 1 87 PHE HA 1 90 VAL MG1 . . 4.880 3.973 2.083 4.610 . 0 0 "[ . 1 . 2]" 1
1286 1 87 PHE HA 1 90 VAL QG . . 4.220 3.190 2.080 3.629 . 0 0 "[ . 1 . 2]" 1
1287 1 87 PHE HA 1 90 VAL MG2 . . 4.880 3.934 3.567 4.718 . 0 0 "[ . 1 . 2]" 1
1288 1 87 PHE HA 1 91 PHE H . . 4.290 3.735 3.694 3.815 . 0 0 "[ . 1 . 2]" 1
1289 1 87 PHE QB 1 88 SER H . . 3.440 2.564 2.484 2.749 . 0 0 "[ . 1 . 2]" 1
1290 1 87 PHE QD 1 88 SER HA . . 4.210 3.817 3.227 4.159 . 0 0 "[ . 1 . 2]" 1
1291 1 87 PHE QD 1 91 PHE QB . . 3.830 3.438 3.161 3.612 . 0 0 "[ . 1 . 2]" 1
1292 1 87 PHE QD 1 99 PRO QG . . 4.150 3.630 3.121 4.027 . 0 0 "[ . 1 . 2]" 1
1293 1 87 PHE QE 1 91 PHE HB2 . . 4.480 3.290 2.880 3.693 . 0 0 "[ . 1 . 2]" 1
1294 1 87 PHE QE 1 91 PHE QB . . 3.700 3.180 2.834 3.447 . 0 0 "[ . 1 . 2]" 1
1295 1 87 PHE QE 1 91 PHE HB3 . . 4.480 4.287 3.976 4.463 . 0 0 "[ . 1 . 2]" 1
1296 1 87 PHE QE 1 99 PRO HB3 . . 4.360 3.405 2.679 4.052 . 0 0 "[ . 1 . 2]" 1
1297 1 87 PHE HZ 1 91 PHE QB . . 4.280 3.734 3.450 3.894 . 0 0 "[ . 1 . 2]" 1
1298 1 87 PHE HZ 1 99 PRO HB3 . . 5.310 4.582 4.171 5.252 . 0 0 "[ . 1 . 2]" 1
1299 1 88 SER H 1 88 SER QB . . 3.390 2.393 2.194 2.705 . 0 0 "[ . 1 . 2]" 1
1300 1 88 SER H 1 89 ARG H . . 3.680 2.615 2.607 2.625 . 0 0 "[ . 1 . 2]" 1
1301 1 88 SER HA 1 91 PHE H . . 4.990 3.635 3.549 3.677 . 0 0 "[ . 1 . 2]" 1
1302 1 88 SER HA 1 91 PHE QB . . 4.880 2.454 2.370 2.511 . 0 0 "[ . 1 . 2]" 1
1303 1 88 SER HA 1 92 LYS H . . 4.620 3.608 3.593 3.633 . 0 0 "[ . 1 . 2]" 1
1304 1 88 SER HA 1 98 SER HA . . 4.510 4.559 4.547 4.587 0.077 5 0 "[ . 1 . 2]" 1
1305 1 88 SER HA 1 99 PRO HB2 . . 5.340 5.161 4.980 5.345 0.005 16 0 "[ . 1 . 2]" 1
1306 1 88 SER HA 1 99 PRO QG . . 4.210 2.560 2.411 2.798 . 0 0 "[ . 1 . 2]" 1
1307 1 88 SER QB 1 89 ARG H . . 4.150 3.120 2.642 3.454 . 0 0 "[ . 1 . 2]" 1
1308 1 88 SER QB 1 99 PRO QD . . 4.330 2.548 2.052 3.305 . 0 0 "[ . 1 . 2]" 1
1309 1 88 SER QB 1 99 PRO QG . . 4.440 2.636 1.893 3.324 . 0 0 "[ . 1 . 2]" 1
1310 1 89 ARG H 1 89 ARG HB2 . . 3.360 2.268 2.186 2.723 . 0 0 "[ . 1 . 2]" 1
1311 1 89 ARG H 1 89 ARG QD . . 4.660 3.741 2.600 4.410 . 0 0 "[ . 1 . 2]" 1
1312 1 89 ARG H 1 89 ARG HG2 . . 4.390 3.592 1.944 4.123 . 0 0 "[ . 1 . 2]" 1
1313 1 89 ARG H 1 89 ARG QG . . 3.860 2.665 1.935 2.860 . 0 0 "[ . 1 . 2]" 1
1314 1 89 ARG H 1 89 ARG HG3 . . 4.390 3.013 2.653 3.864 . 0 0 "[ . 1 . 2]" 1
1315 1 89 ARG H 1 90 VAL H . . 3.450 2.756 2.740 2.771 . 0 0 "[ . 1 . 2]" 1
1316 1 89 ARG H 1 91 PHE H . . 5.130 4.080 3.978 4.133 . 0 0 "[ . 1 . 2]" 1
1317 1 89 ARG HA 1 89 ARG HD2 . . 5.500 4.064 2.026 4.745 . 0 0 "[ . 1 . 2]" 1
1318 1 89 ARG HA 1 89 ARG HD3 . . 5.500 4.124 2.249 4.599 . 0 0 "[ . 1 . 2]" 1
1319 1 89 ARG HA 1 89 ARG QG . . 3.710 2.415 2.179 3.166 . 0 0 "[ . 1 . 2]" 1
1320 1 89 ARG HA 1 92 LYS H . . 5.020 3.795 3.749 3.823 . 0 0 "[ . 1 . 2]" 1
1321 1 89 ARG HA 1 92 LYS HB2 . . 5.220 3.650 3.575 3.810 . 0 0 "[ . 1 . 2]" 1
1322 1 89 ARG HA 1 92 LYS HB3 . . 4.670 3.003 2.824 3.148 . 0 0 "[ . 1 . 2]" 1
1323 1 89 ARG HA 1 92 LYS QE . . 5.340 4.987 4.144 5.381 0.041 1 0 "[ . 1 . 2]" 1
1324 1 89 ARG HA 1 92 LYS QG . . 5.340 4.650 4.244 4.900 . 0 0 "[ . 1 . 2]" 1
1325 1 89 ARG HB2 1 90 VAL H . . 4.030 2.560 2.351 2.638 . 0 0 "[ . 1 . 2]" 1
1326 1 89 ARG HB2 1 90 VAL QG . . 4.890 3.447 2.889 3.939 . 0 0 "[ . 1 . 2]" 1
1327 1 89 ARG HB3 1 89 ARG QD . . 3.640 2.684 2.213 3.172 . 0 0 "[ . 1 . 2]" 1
1328 1 89 ARG HB3 1 90 VAL H . . 3.940 3.177 3.039 3.654 . 0 0 "[ . 1 . 2]" 1
1329 1 89 ARG HB3 1 90 VAL QG . . 4.970 3.754 3.312 4.475 . 0 0 "[ . 1 . 2]" 1
1330 1 90 VAL H 1 90 VAL HB . . 3.290 2.538 2.477 2.640 . 0 0 "[ . 1 . 2]" 1
1331 1 90 VAL H 1 90 VAL MG1 . . 4.090 3.298 1.894 3.767 . 0 0 "[ . 1 . 2]" 1
1332 1 90 VAL H 1 90 VAL QG . . 3.180 2.147 1.889 2.360 . 0 0 "[ . 1 . 2]" 1
1333 1 90 VAL H 1 90 VAL MG2 . . 4.090 2.630 2.110 3.771 . 0 0 "[ . 1 . 2]" 1
1334 1 90 VAL H 1 91 PHE H . . 3.590 2.601 2.555 2.627 . 0 0 "[ . 1 . 2]" 1
1335 1 90 VAL HA 1 90 VAL MG1 . . 3.490 2.557 2.304 3.202 . 0 0 "[ . 1 . 2]" 1
1336 1 90 VAL HA 1 90 VAL QG . . 3.040 2.117 2.044 2.243 . 0 0 "[ . 1 . 2]" 1
1337 1 90 VAL HA 1 90 VAL MG2 . . 3.490 2.314 2.262 2.413 . 0 0 "[ . 1 . 2]" 1
1338 1 90 VAL HA 1 93 LYS H . . 3.980 3.652 3.549 3.702 . 0 0 "[ . 1 . 2]" 1
1339 1 90 VAL HA 1 93 LYS QB . . 3.770 3.447 3.160 3.832 0.062 16 0 "[ . 1 . 2]" 1
1340 1 90 VAL HA 1 93 LYS QE . . 4.560 3.651 2.302 4.317 . 0 0 "[ . 1 . 2]" 1
1341 1 90 VAL HA 1 93 LYS QG . . 4.980 4.033 2.819 4.981 0.001 1 0 "[ . 1 . 2]" 1
1342 1 90 VAL HB 1 91 PHE H . . 3.980 2.864 2.493 3.927 . 0 0 "[ . 1 . 2]" 1
1343 1 90 VAL QG 1 93 LYS QB . . 4.570 3.867 3.399 4.507 . 0 0 "[ . 1 . 2]" 1
1344 1 90 VAL QG 1 93 LYS QE . . 4.410 3.863 1.983 4.412 0.002 5 0 "[ . 1 . 2]" 1
1345 1 90 VAL MG1 1 91 PHE H . . 4.420 3.038 2.019 3.501 . 0 0 "[ . 1 . 2]" 1
1346 1 90 VAL MG2 1 91 PHE H . . 4.420 3.739 3.525 3.824 . 0 0 "[ . 1 . 2]" 1
1347 1 91 PHE H 1 91 PHE HB2 . . 3.560 2.561 2.434 2.664 . 0 0 "[ . 1 . 2]" 1
1348 1 91 PHE H 1 91 PHE QB . . 3.120 2.250 2.237 2.259 . 0 0 "[ . 1 . 2]" 1
1349 1 91 PHE H 1 91 PHE HB3 . . 3.560 2.505 2.404 2.630 . 0 0 "[ . 1 . 2]" 1
1350 1 91 PHE H 1 92 LYS H . . 3.870 2.644 2.595 2.669 . 0 0 "[ . 1 . 2]" 1
1351 1 91 PHE HA 1 94 CYS H . . 4.440 3.199 3.158 3.258 . 0 0 "[ . 1 . 2]" 1
1352 1 91 PHE HA 1 94 CYS QB . . 4.540 2.182 1.974 2.828 . 0 0 "[ . 1 . 2]" 1
1353 1 91 PHE HA 1 95 THR MG . . 5.110 4.590 4.012 5.110 . 0 0 "[ . 1 . 2]" 1
1354 1 91 PHE QB 1 92 LYS H . . 3.690 2.697 2.655 2.734 . 0 0 "[ . 1 . 2]" 1
1355 1 91 PHE HB2 1 92 LYS H . . 4.500 3.969 3.889 4.043 . 0 0 "[ . 1 . 2]" 1
1356 1 91 PHE HB3 1 92 LYS H . . 4.500 2.744 2.702 2.780 . 0 0 "[ . 1 . 2]" 1
1357 1 92 LYS H 1 92 LYS HB2 . . 3.450 2.611 2.523 2.835 . 0 0 "[ . 1 . 2]" 1
1358 1 92 LYS H 1 92 LYS HB3 . . 3.460 2.435 2.246 2.518 . 0 0 "[ . 1 . 2]" 1
1359 1 92 LYS H 1 93 LYS H . . 3.650 2.779 2.629 2.819 . 0 0 "[ . 1 . 2]" 1
1360 1 92 LYS HA 1 95 THR H . . 4.360 4.023 3.467 4.124 . 0 0 "[ . 1 . 2]" 1
1361 1 92 LYS HA 1 96 GLY H . . 3.970 4.020 3.527 4.081 0.111 20 0 "[ . 1 . 2]" 1
1362 1 92 LYS HA 1 97 ALA H . . 3.810 3.489 3.149 3.544 . 0 0 "[ . 1 . 2]" 1
1363 1 92 LYS HB2 1 98 SER HA . . 4.300 2.540 2.128 2.888 . 0 0 "[ . 1 . 2]" 1
1364 1 92 LYS HB2 1 99 PRO QD . . 5.050 3.364 3.105 3.631 . 0 0 "[ . 1 . 2]" 1
1365 1 92 LYS HB3 1 92 LYS QE . . 4.560 3.557 2.518 4.027 . 0 0 "[ . 1 . 2]" 1
1366 1 92 LYS HB3 1 93 LYS H . . 3.190 2.560 2.447 2.985 . 0 0 "[ . 1 . 2]" 1
1367 1 92 LYS HB3 1 93 LYS QD . . 4.950 4.354 2.518 4.957 0.007 7 0 "[ . 1 . 2]" 1
1368 1 92 LYS HB3 1 98 SER HA . . 4.960 4.178 3.850 4.503 . 0 0 "[ . 1 . 2]" 1
1369 1 92 LYS QE 1 92 LYS QG . . 3.160 2.163 1.986 2.370 . 0 0 "[ . 1 . 2]" 1
1370 1 92 LYS QE 1 93 LYS HA . . 5.340 4.715 3.468 5.412 0.072 1 0 "[ . 1 . 2]" 1
1371 1 92 LYS QE 1 96 GLY HA2 . . 5.340 5.148 4.572 5.342 0.002 19 0 "[ . 1 . 2]" 1
1372 1 92 LYS QE 1 97 ALA HA . . 4.980 4.289 2.644 4.981 0.001 3 0 "[ . 1 . 2]" 1
1373 1 92 LYS QG 1 93 LYS HA . . 5.340 3.639 3.246 4.407 . 0 0 "[ . 1 . 2]" 1
1374 1 93 LYS H 1 93 LYS QB . . 3.190 2.375 2.224 2.569 . 0 0 "[ . 1 . 2]" 1
1375 1 93 LYS H 1 93 LYS QD . . 4.230 3.333 1.984 4.190 . 0 0 "[ . 1 . 2]" 1
1376 1 93 LYS H 1 94 CYS H . . 3.440 2.439 2.408 2.447 . 0 0 "[ . 1 . 2]" 1
1377 1 93 LYS HA 1 93 LYS QG . . 3.700 2.564 2.190 3.270 . 0 0 "[ . 1 . 2]" 1
1378 1 93 LYS QB 1 93 LYS QE . . 3.710 2.966 2.119 3.641 . 0 0 "[ . 1 . 2]" 1
1379 1 93 LYS QB 1 94 CYS H . . 3.520 3.004 2.894 3.546 0.026 17 0 "[ . 1 . 2]" 1
1380 1 93 LYS HB2 1 94 CYS H . . 4.310 3.190 2.969 4.241 . 0 0 "[ . 1 . 2]" 1
1381 1 93 LYS HB3 1 94 CYS H . . 4.310 3.889 3.721 4.068 . 0 0 "[ . 1 . 2]" 1
1382 1 93 LYS QE 1 93 LYS QG . . 3.230 2.281 2.024 2.733 . 0 0 "[ . 1 . 2]" 1
1383 1 94 CYS H 1 94 CYS HB2 . . 3.830 2.304 2.144 2.517 . 0 0 "[ . 1 . 2]" 1
1384 1 94 CYS H 1 94 CYS QB . . 3.180 2.201 2.100 2.253 . 0 0 "[ . 1 . 2]" 1
1385 1 94 CYS H 1 94 CYS HB3 . . 3.830 2.947 2.540 3.541 . 0 0 "[ . 1 . 2]" 1
1386 1 94 CYS H 1 95 THR H . . 3.610 2.794 2.398 2.847 . 0 0 "[ . 1 . 2]" 1
1387 1 94 CYS H 1 96 GLY H . . 5.110 3.563 3.433 3.587 . 0 0 "[ . 1 . 2]" 1
1388 1 94 CYS QB 1 95 THR H . . 3.770 2.410 2.348 2.604 . 0 0 "[ . 1 . 2]" 1
1389 1 94 CYS HB2 1 95 THR H . . 4.450 3.371 2.569 3.758 . 0 0 "[ . 1 . 2]" 1
1390 1 94 CYS HB2 1 95 THR MG . . 4.490 4.042 3.204 4.482 . 0 0 "[ . 1 . 2]" 1
1391 1 94 CYS HB3 1 95 THR H . . 4.450 2.594 2.376 3.206 . 0 0 "[ . 1 . 2]" 1
1392 1 94 CYS HB3 1 95 THR MG . . 4.490 2.806 2.554 3.264 . 0 0 "[ . 1 . 2]" 1
1393 1 95 THR H 1 95 THR MG . . 3.580 2.626 1.971 2.937 . 0 0 "[ . 1 . 2]" 1
1394 1 95 THR H 1 96 GLY H . . 3.260 2.084 2.023 2.223 . 0 0 "[ . 1 . 2]" 1
1395 1 95 THR H 1 97 ALA H . . 4.570 3.420 3.328 3.750 . 0 0 "[ . 1 . 2]" 1
1396 1 95 THR HA 1 95 THR MG . . 3.430 2.372 2.149 3.185 . 0 0 "[ . 1 . 2]" 1
1397 1 95 THR HB 1 96 GLY H . . 4.870 4.189 3.948 4.347 . 0 0 "[ . 1 . 2]" 1
1398 1 95 THR HB 1 97 ALA H . . 4.380 3.724 3.011 4.427 0.047 18 0 "[ . 1 . 2]" 1
1399 1 95 THR MG 1 96 GLY H . . 5.070 4.026 2.479 4.253 . 0 0 "[ . 1 . 2]" 1
1400 1 95 THR MG 1 97 ALA H . . 4.890 4.182 1.906 4.441 . 0 0 "[ . 1 . 2]" 1
1401 1 96 GLY H 1 97 ALA MB . . 5.500 4.637 4.601 4.761 . 0 0 "[ . 1 . 2]" 1
1402 1 96 GLY HA3 1 97 ALA MB . . 5.500 3.992 3.973 4.006 . 0 0 "[ . 1 . 2]" 1
1403 1 97 ALA H 1 97 ALA MB . . 3.470 2.625 2.618 2.637 . 0 0 "[ . 1 . 2]" 1
1404 1 97 ALA HA 1 98 SER H . . 3.190 2.272 2.253 2.318 . 0 0 "[ . 1 . 2]" 1
1405 1 97 ALA HA 1 101 GLU HB2 . . 5.500 5.427 4.641 5.520 0.020 14 0 "[ . 1 . 2]" 1
1406 1 97 ALA HA 1 101 GLU QB . . 4.720 4.483 4.412 4.582 . 0 0 "[ . 1 . 2]" 1
1407 1 97 ALA HA 1 101 GLU HB3 . . 5.500 4.812 4.711 5.518 0.018 18 0 "[ . 1 . 2]" 1
1408 1 97 ALA MB 1 98 SER H . . 3.690 2.754 2.653 2.802 . 0 0 "[ . 1 . 2]" 1
1409 1 97 ALA MB 1 101 GLU H . . 5.500 4.735 4.541 4.796 . 0 0 "[ . 1 . 2]" 1
1410 1 97 ALA MB 1 101 GLU QB . . 3.520 2.854 2.694 2.919 . 0 0 "[ . 1 . 2]" 1
1411 1 97 ALA MB 1 101 GLU QG . . 4.070 3.058 2.945 3.161 . 0 0 "[ . 1 . 2]" 1
1412 1 97 ALA MB 1 102 PHE H . . 4.100 3.836 3.791 3.899 . 0 0 "[ . 1 . 2]" 1
1413 1 97 ALA MB 1 102 PHE HA . . 5.060 4.405 4.306 4.688 . 0 0 "[ . 1 . 2]" 1
1414 1 97 ALA MB 1 102 PHE HB2 . . 4.120 3.426 3.209 3.781 . 0 0 "[ . 1 . 2]" 1
1415 1 97 ALA MB 1 102 PHE HB3 . . 5.500 4.885 4.640 5.153 . 0 0 "[ . 1 . 2]" 1
1416 1 98 SER H 1 101 GLU H . . 4.880 4.385 4.269 4.397 . 0 0 "[ . 1 . 2]" 1
1417 1 98 SER H 1 101 GLU HB2 . . 4.260 3.868 3.366 3.998 . 0 0 "[ . 1 . 2]" 1
1418 1 98 SER H 1 101 GLU QB . . 3.490 3.293 3.235 3.447 . 0 0 "[ . 1 . 2]" 1
1419 1 98 SER H 1 101 GLU HB3 . . 4.260 3.621 3.451 4.408 0.148 18 0 "[ . 1 . 2]" 1
1420 1 98 SER HA 1 99 PRO HD2 . . 3.870 2.544 2.534 2.602 . 0 0 "[ . 1 . 2]" 1
1421 1 98 SER HA 1 99 PRO QD . . 3.330 2.177 2.170 2.215 . 0 0 "[ . 1 . 2]" 1
1422 1 98 SER HA 1 99 PRO HD3 . . 3.870 2.365 2.360 2.398 . 0 0 "[ . 1 . 2]" 1
1423 1 99 PRO HA 1 102 PHE H . . 4.610 3.558 3.496 3.682 . 0 0 "[ . 1 . 2]" 1
1424 1 99 PRO HB2 1 100 SER H . . 3.630 3.326 3.215 3.435 . 0 0 "[ . 1 . 2]" 1
1425 1 99 PRO HB3 1 100 SER HA . . 5.500 5.560 5.539 5.583 0.083 5 0 "[ . 1 . 2]" 1
1426 1 99 PRO QG 1 100 SER H . . 4.130 2.341 2.213 2.473 . 0 0 "[ . 1 . 2]" 1
1427 1 100 SER H 1 101 GLU H . . 3.620 2.573 2.552 2.578 . 0 0 "[ . 1 . 2]" 1
1428 1 100 SER H 1 101 GLU QB . . 4.880 4.380 4.320 4.826 . 0 0 "[ . 1 . 2]" 1
1429 1 100 SER HA 1 103 ARG H . . 4.400 3.782 3.644 3.861 . 0 0 "[ . 1 . 2]" 1
1430 1 100 SER HA 1 103 ARG QB . . 4.330 3.002 2.679 3.843 . 0 0 "[ . 1 . 2]" 1
1431 1 101 GLU H 1 101 GLU QB . . 3.020 2.277 2.193 2.651 . 0 0 "[ . 1 . 2]" 1
1432 1 101 GLU H 1 102 PHE H . . 3.620 2.580 2.570 2.678 . 0 0 "[ . 1 . 2]" 1
1433 1 101 GLU H 1 102 PHE HB2 . . 5.180 4.812 4.616 5.071 . 0 0 "[ . 1 . 2]" 1
1434 1 101 GLU H 1 104 ALA MB . . 5.500 4.677 4.212 5.100 . 0 0 "[ . 1 . 2]" 1
1435 1 101 GLU HA 1 103 ARG H . . 5.090 4.495 4.286 4.724 . 0 0 "[ . 1 . 2]" 1
1436 1 101 GLU HA 1 104 ALA H . . 3.930 3.508 3.386 3.601 . 0 0 "[ . 1 . 2]" 1
1437 1 101 GLU HA 1 104 ALA MB . . 3.560 2.606 2.163 2.925 . 0 0 "[ . 1 . 2]" 1
1438 1 101 GLU QB 1 102 PHE H . . 3.670 2.407 2.394 2.415 . 0 0 "[ . 1 . 2]" 1
1439 1 101 GLU QB 1 102 PHE HA . . 5.340 3.984 3.780 4.047 . 0 0 "[ . 1 . 2]" 1
1440 1 101 GLU HB2 1 102 PHE H . . 4.410 3.637 2.424 3.747 . 0 0 "[ . 1 . 2]" 1
1441 1 101 GLU HB3 1 102 PHE H . . 4.410 2.504 2.425 3.728 . 0 0 "[ . 1 . 2]" 1
1442 1 101 GLU QG 1 102 PHE HA . . 5.340 4.127 3.838 5.574 0.234 18 0 "[ . 1 . 2]" 1
1443 1 101 GLU QG 1 104 ALA MB . . 5.100 3.849 3.431 4.689 . 0 0 "[ . 1 . 2]" 1
1444 1 102 PHE H 1 102 PHE HB2 . . 3.280 2.389 2.232 2.541 . 0 0 "[ . 1 . 2]" 1
1445 1 102 PHE H 1 103 ARG H . . 3.920 2.727 2.677 2.778 . 0 0 "[ . 1 . 2]" 1
1446 1 102 PHE HA 1 104 ALA MB . . 5.500 4.856 4.609 5.051 . 0 0 "[ . 1 . 2]" 1
1447 1 102 PHE HA 1 105 GLY H . . 4.360 3.478 3.237 3.789 . 0 0 "[ . 1 . 2]" 1
1448 1 102 PHE HB3 1 103 ARG H . . 3.630 2.557 2.446 2.704 . 0 0 "[ . 1 . 2]" 1
1449 1 103 ARG H 1 103 ARG QB . . 3.210 2.219 2.058 2.387 . 0 0 "[ . 1 . 2]" 1
1450 1 103 ARG H 1 104 ALA H . . 3.600 2.642 2.504 2.727 . 0 0 "[ . 1 . 2]" 1
1451 1 103 ARG H 1 104 ALA MB . . 4.780 4.252 4.103 4.350 . 0 0 "[ . 1 . 2]" 1
1452 1 103 ARG HA 1 103 ARG QG . . 3.670 2.536 2.203 3.331 . 0 0 "[ . 1 . 2]" 1
1453 1 103 ARG QB 1 104 ALA H . . 3.870 2.766 2.532 3.530 . 0 0 "[ . 1 . 2]" 1
1454 1 104 ALA H 1 104 ALA MB . . 3.000 2.105 2.027 2.231 . 0 0 "[ . 1 . 2]" 1
1455 1 104 ALA H 1 105 GLY H . . 3.590 2.586 2.433 2.669 . 0 0 "[ . 1 . 2]" 1
1456 1 104 ALA HA 1 106 CYS H . . 4.560 4.321 4.126 4.518 . 0 0 "[ . 1 . 2]" 1
1457 1 104 ALA HA 1 106 CYS QB . . 5.260 5.126 5.014 5.257 . 0 0 "[ . 1 . 2]" 1
1458 1 104 ALA MB 1 105 GLY H . . 3.640 2.848 2.688 2.942 . 0 0 "[ . 1 . 2]" 1
1459 1 104 ALA MB 1 106 CYS H . . 5.260 2.481 2.109 2.706 . 0 0 "[ . 1 . 2]" 1
1460 1 105 GLY QA 1 106 CYS HA . . 4.490 4.080 4.029 4.129 . 0 0 "[ . 1 . 2]" 1
1461 1 106 CYS H 1 106 CYS QB . . 3.310 2.273 2.174 2.502 . 0 0 "[ . 1 . 2]" 1
1462 1 106 CYS H 1 107 GLU H . . 4.600 4.539 4.443 4.601 0.001 2 0 "[ . 1 . 2]" 1
1463 1 106 CYS QB 1 107 GLU H . . 4.260 3.604 2.978 3.819 . 0 0 "[ . 1 . 2]" 1
1464 1 106 CYS HB2 1 107 GLU H . . 4.880 4.197 3.054 4.459 . 0 0 "[ . 1 . 2]" 1
1465 1 106 CYS HB3 1 107 GLU H . . 4.880 4.000 3.482 4.228 . 0 0 "[ . 1 . 2]" 1
1466 1 107 GLU H 1 107 GLU QB . . 3.470 2.602 2.161 3.205 . 0 0 "[ . 1 . 2]" 1
1467 1 107 GLU H 1 107 GLU QG . . 4.410 3.283 1.950 4.274 . 0 0 "[ . 1 . 2]" 1
1468 1 107 GLU HA 1 107 GLU QG . . 3.690 2.681 2.182 3.452 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 13, 2024 9:18:44 PM GMT (wattos1)