NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405354 |
1x5j   |
11118 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5j
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 1847
_Distance_constraint_stats_list.Viol_count 305
_Distance_constraint_stats_list.Viol_total 74.048
_Distance_constraint_stats_list.Viol_max 0.175
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0121
_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 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 MET 0.057 0.012 6 0 "[ . 1 . 2]"
1 10 MET 0.787 0.126 13 0 "[ . 1 . 2]"
1 11 PRO 0.072 0.029 15 0 "[ . 1 . 2]"
1 12 PRO 0.277 0.071 10 0 "[ . 1 . 2]"
1 13 VAL 0.271 0.071 10 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.059 0.017 17 0 "[ . 1 . 2]"
1 16 GLN 0.055 0.017 17 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.027 0.027 14 0 "[ . 1 . 2]"
1 19 ILE 0.001 0.001 14 0 "[ . 1 . 2]"
1 20 LEU 0.100 0.045 14 0 "[ . 1 . 2]"
1 21 SER 0.010 0.005 16 0 "[ . 1 . 2]"
1 22 HIS 0.037 0.008 19 0 "[ . 1 . 2]"
1 23 ASP 0.004 0.004 20 0 "[ . 1 . 2]"
1 24 THR 0.007 0.005 14 0 "[ . 1 . 2]"
1 25 ILE 0.052 0.045 14 0 "[ . 1 . 2]"
1 26 ARG 0.021 0.014 14 0 "[ . 1 . 2]"
1 27 ILE 0.001 0.001 1 0 "[ . 1 . 2]"
1 28 THR 0.011 0.006 17 0 "[ . 1 . 2]"
1 29 TRP 0.083 0.012 17 0 "[ . 1 . 2]"
1 30 ALA 0.004 0.002 4 0 "[ . 1 . 2]"
1 31 ASP 0.017 0.009 17 0 "[ . 1 . 2]"
1 32 ASN 0.010 0.007 14 0 "[ . 1 . 2]"
1 33 SER 0.001 0.001 18 0 "[ . 1 . 2]"
1 34 LEU 0.006 0.003 10 0 "[ . 1 . 2]"
1 35 PRO 0.012 0.010 18 0 "[ . 1 . 2]"
1 36 LYS 0.149 0.075 19 0 "[ . 1 . 2]"
1 37 HIS 0.010 0.010 18 0 "[ . 1 . 2]"
1 38 GLN 0.054 0.025 15 0 "[ . 1 . 2]"
1 39 LYS 0.017 0.017 17 0 "[ . 1 . 2]"
1 40 ILE 0.027 0.014 17 0 "[ . 1 . 2]"
1 41 THR 0.001 0.001 12 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.393 0.175 20 0 "[ . 1 . 2]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 0.025 0.009 17 0 "[ . 1 . 2]"
1 47 THR 0.025 0.009 17 0 "[ . 1 . 2]"
1 48 VAL 0.023 0.011 17 0 "[ . 1 . 2]"
1 49 ARG 0.026 0.008 8 0 "[ . 1 . 2]"
1 50 TRP 0.014 0.005 14 0 "[ . 1 . 2]"
1 51 LYS 0.037 0.007 20 0 "[ . 1 . 2]"
1 52 THR 0.060 0.039 13 0 "[ . 1 . 2]"
1 53 ASN 0.010 0.006 10 0 "[ . 1 . 2]"
1 54 ILE 0.039 0.039 13 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 THR 0.022 0.009 16 0 "[ . 1 . 2]"
1 59 LYS 0.628 0.090 16 0 "[ . 1 . 2]"
1 60 TYR 0.105 0.051 8 0 "[ . 1 . 2]"
1 61 LYS 0.025 0.011 10 0 "[ . 1 . 2]"
1 62 ASN 0.010 0.004 19 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 0.007 0.003 14 0 "[ . 1 . 2]"
1 65 ALA 0.199 0.029 13 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.086 0.020 15 0 "[ . 1 . 2]"
1 68 LEU 0.070 0.017 17 0 "[ . 1 . 2]"
1 69 SER 0.129 0.029 13 0 "[ . 1 . 2]"
1 70 TYR 0.034 0.013 18 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.005 0.005 14 0 "[ . 1 . 2]"
1 73 THR 0.003 0.003 14 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.004 0.004 20 0 "[ . 1 . 2]"
1 76 LYS 0.076 0.025 3 0 "[ . 1 . 2]"
1 77 PRO 0.045 0.010 2 0 "[ . 1 . 2]"
1 78 ASN 0.005 0.003 19 0 "[ . 1 . 2]"
1 79 THR 0.004 0.004 19 0 "[ . 1 . 2]"
1 80 LEU 0.009 0.006 11 0 "[ . 1 . 2]"
1 81 TYR 0.047 0.046 11 0 "[ . 1 . 2]"
1 82 GLU 0.058 0.046 11 0 "[ . 1 . 2]"
1 83 PHE 0.010 0.005 12 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.023 0.011 17 0 "[ . 1 . 2]"
1 86 MET 0.032 0.010 17 0 "[ . 1 . 2]"
1 87 VAL 0.020 0.010 17 0 "[ . 1 . 2]"
1 88 THR 0.006 0.004 7 0 "[ . 1 . 2]"
1 89 LYS 0.014 0.013 11 0 "[ . 1 . 2]"
1 90 GLY 0.004 0.002 1 0 "[ . 1 . 2]"
1 91 ARG 0.005 0.004 7 0 "[ . 1 . 2]"
1 92 ARG 0.014 0.010 5 0 "[ . 1 . 2]"
1 93 SER 0.030 0.010 17 0 "[ . 1 . 2]"
1 94 SER 0.014 0.004 4 0 "[ . 1 . 2]"
1 95 THR 0.035 0.029 20 0 "[ . 1 . 2]"
1 96 TRP 0.046 0.029 20 0 "[ . 1 . 2]"
1 97 SER 0.032 0.008 11 0 "[ . 1 . 2]"
1 98 MET 0.032 0.008 11 0 "[ . 1 . 2]"
1 99 THR 0.012 0.006 18 0 "[ . 1 . 2]"
1 100 ALA 0.011 0.004 11 0 "[ . 1 . 2]"
1 101 HIS 0.006 0.006 11 0 "[ . 1 . 2]"
1 102 GLY 0.010 0.005 18 0 "[ . 1 . 2]"
1 103 THR 0.007 0.005 18 0 "[ . 1 . 2]"
1 104 THR 0.002 0.002 10 0 "[ . 1 . 2]"
1 105 PHE 0.001 0.001 17 0 "[ . 1 . 2]"
1 106 GLU 0.069 0.031 16 0 "[ . 1 . 2]"
1 107 LEU 0.200 0.061 14 0 "[ . 1 . 2]"
1 108 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 PRO 0.000 0.000 . 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 8 PRO HA 1 9 MET H . . 2.870 2.466 2.157 2.702 . 0 0 "[ . 1 . 2]" 1
2 1 8 PRO HB2 1 9 MET H . . 4.030 2.513 1.946 3.531 . 0 0 "[ . 1 . 2]" 1
3 1 8 PRO HB3 1 9 MET H . . 4.030 3.426 3.162 4.000 . 0 0 "[ . 1 . 2]" 1
4 1 9 MET H 1 9 MET QB . . 3.250 2.365 2.175 2.602 . 0 0 "[ . 1 . 2]" 1
5 1 9 MET H 1 9 MET ME . . 5.500 4.593 3.972 5.071 . 0 0 "[ . 1 . 2]" 1
6 1 9 MET H 1 9 MET HG2 . . 4.320 3.245 2.061 4.068 . 0 0 "[ . 1 . 2]" 1
7 1 9 MET H 1 9 MET QG . . 3.560 2.465 1.938 2.864 . 0 0 "[ . 1 . 2]" 1
8 1 9 MET H 1 9 MET HG3 . . 4.320 2.829 1.960 3.651 . 0 0 "[ . 1 . 2]" 1
9 1 9 MET H 1 10 MET H . . 5.080 4.608 4.541 4.652 . 0 0 "[ . 1 . 2]" 1
10 1 9 MET H 1 10 MET ME . . 5.370 5.040 4.054 5.382 0.012 6 0 "[ . 1 . 2]" 1
11 1 9 MET H 1 87 VAL MG1 . . 5.500 5.236 4.378 5.501 0.001 13 0 "[ . 1 . 2]" 1
12 1 9 MET H 1 93 SER H . . 4.640 3.750 2.850 4.459 . 0 0 "[ . 1 . 2]" 1
13 1 9 MET H 1 94 SER HB2 . . 5.500 5.058 4.119 5.504 0.004 4 0 "[ . 1 . 2]" 1
14 1 9 MET H 1 94 SER HB3 . . 4.690 4.125 3.271 4.618 . 0 0 "[ . 1 . 2]" 1
15 1 9 MET HA 1 9 MET ME . . 4.320 4.030 3.274 4.330 0.010 20 0 "[ . 1 . 2]" 1
16 1 9 MET HA 1 9 MET HG2 . . 3.900 2.521 2.180 2.881 . 0 0 "[ . 1 . 2]" 1
17 1 9 MET HA 1 9 MET QG . . 3.410 2.406 2.144 2.795 . 0 0 "[ . 1 . 2]" 1
18 1 9 MET HA 1 9 MET HG3 . . 3.900 3.208 2.561 3.767 . 0 0 "[ . 1 . 2]" 1
19 1 9 MET HA 1 10 MET H . . 2.830 2.281 2.151 2.515 . 0 0 "[ . 1 . 2]" 1
20 1 9 MET HA 1 10 MET ME . . 4.410 3.348 2.234 4.289 . 0 0 "[ . 1 . 2]" 1
21 1 9 MET QB 1 9 MET ME . . 3.660 2.126 1.860 2.769 . 0 0 "[ . 1 . 2]" 1
22 1 9 MET QB 1 10 MET H . . 3.290 2.763 2.198 3.215 . 0 0 "[ . 1 . 2]" 1
23 1 9 MET QB 1 93 SER H . . 4.970 3.868 3.145 4.904 . 0 0 "[ . 1 . 2]" 1
24 1 9 MET QB 1 94 SER H . . 3.910 3.540 2.997 3.911 0.001 20 0 "[ . 1 . 2]" 1
25 1 9 MET QB 1 94 SER HB2 . . 4.250 3.606 3.259 4.146 . 0 0 "[ . 1 . 2]" 1
26 1 9 MET QB 1 94 SER HB3 . . 3.670 2.243 1.924 2.716 . 0 0 "[ . 1 . 2]" 1
27 1 9 MET HB2 1 87 VAL MG1 . . 3.800 3.307 2.725 3.714 . 0 0 "[ . 1 . 2]" 1
28 1 9 MET HB2 1 94 SER HB2 . . 5.060 3.981 3.621 4.556 . 0 0 "[ . 1 . 2]" 1
29 1 9 MET HB2 1 94 SER HB3 . . 4.290 2.478 2.076 2.848 . 0 0 "[ . 1 . 2]" 1
30 1 9 MET HB3 1 87 VAL MG1 . . 3.800 2.728 2.416 3.420 . 0 0 "[ . 1 . 2]" 1
31 1 9 MET HB3 1 94 SER HB2 . . 5.060 4.187 3.497 5.037 . 0 0 "[ . 1 . 2]" 1
32 1 9 MET HB3 1 94 SER HB3 . . 4.290 2.711 2.047 3.792 . 0 0 "[ . 1 . 2]" 1
33 1 9 MET ME 1 9 MET HG2 . . 3.540 2.940 2.342 3.398 . 0 0 "[ . 1 . 2]" 1
34 1 9 MET ME 1 9 MET QG . . 3.100 2.387 2.053 2.618 . 0 0 "[ . 1 . 2]" 1
35 1 9 MET ME 1 9 MET HG3 . . 3.540 2.874 2.076 3.398 . 0 0 "[ . 1 . 2]" 1
36 1 9 MET ME 1 44 ARG QB . . 4.310 3.579 2.636 4.137 . 0 0 "[ . 1 . 2]" 1
37 1 9 MET ME 1 44 ARG QD . . 4.310 3.729 3.083 4.314 0.004 17 0 "[ . 1 . 2]" 1
38 1 9 MET ME 1 46 TYR QE . . 5.500 5.366 4.775 5.500 0.000 13 0 "[ . 1 . 2]" 1
39 1 9 MET ME 1 87 VAL MG1 . . 2.920 2.012 1.844 2.221 . 0 0 "[ . 1 . 2]" 1
40 1 9 MET ME 1 87 VAL MG2 . . 3.050 1.874 1.688 2.228 . 0 0 "[ . 1 . 2]" 1
41 1 9 MET ME 1 88 THR H . . 5.500 3.797 3.237 4.571 . 0 0 "[ . 1 . 2]" 1
42 1 9 MET ME 1 88 THR HA . . 4.850 3.271 2.128 4.095 . 0 0 "[ . 1 . 2]" 1
43 1 9 MET ME 1 89 LYS H . . 4.130 3.237 1.886 3.717 . 0 0 "[ . 1 . 2]" 1
44 1 9 MET ME 1 89 LYS HA . . 4.480 4.051 3.266 4.475 . 0 0 "[ . 1 . 2]" 1
45 1 9 MET ME 1 89 LYS QB . . 3.360 2.414 1.914 3.224 . 0 0 "[ . 1 . 2]" 1
46 1 9 MET ME 1 89 LYS QD . . 4.670 3.387 1.883 4.451 . 0 0 "[ . 1 . 2]" 1
47 1 9 MET ME 1 89 LYS HE2 . . 4.940 3.615 2.300 4.896 . 0 0 "[ . 1 . 2]" 1
48 1 9 MET ME 1 89 LYS QE . . 4.240 3.060 2.076 3.968 . 0 0 "[ . 1 . 2]" 1
49 1 9 MET ME 1 89 LYS HE3 . . 4.940 3.568 2.195 4.938 . 0 0 "[ . 1 . 2]" 1
50 1 9 MET ME 1 93 SER HA . . 4.650 3.749 2.733 4.625 . 0 0 "[ . 1 . 2]" 1
51 1 9 MET ME 1 94 SER H . . 4.700 4.321 3.554 4.701 0.001 15 0 "[ . 1 . 2]" 1
52 1 9 MET ME 1 94 SER HB2 . . 5.390 5.150 4.581 5.389 . 0 0 "[ . 1 . 2]" 1
53 1 9 MET ME 1 94 SER HB3 . . 4.600 3.687 3.005 4.015 . 0 0 "[ . 1 . 2]" 1
54 1 9 MET QG 1 87 VAL MG1 . . 4.850 3.930 3.334 4.391 . 0 0 "[ . 1 . 2]" 1
55 1 9 MET QG 1 93 SER H . . 4.890 3.925 2.807 4.873 . 0 0 "[ . 1 . 2]" 1
56 1 9 MET QG 1 94 SER HB3 . . 5.210 4.262 3.778 4.679 . 0 0 "[ . 1 . 2]" 1
57 1 10 MET H 1 10 MET HB2 . . 3.650 2.826 2.261 3.694 0.044 17 0 "[ . 1 . 2]" 1
58 1 10 MET H 1 10 MET HB3 . . 3.650 3.271 2.451 3.657 0.007 4 0 "[ . 1 . 2]" 1
59 1 10 MET H 1 10 MET ME . . 4.570 2.855 1.885 4.048 . 0 0 "[ . 1 . 2]" 1
60 1 10 MET H 1 10 MET HG2 . . 4.150 3.272 1.896 4.130 . 0 0 "[ . 1 . 2]" 1
61 1 10 MET H 1 10 MET QG . . 3.530 2.937 1.887 3.529 . 0 0 "[ . 1 . 2]" 1
62 1 10 MET H 1 10 MET HG3 . . 4.150 3.710 2.828 4.075 . 0 0 "[ . 1 . 2]" 1
63 1 10 MET H 1 11 PRO HD3 . . 4.950 4.828 4.584 4.979 0.029 15 0 "[ . 1 . 2]" 1
64 1 10 MET H 1 87 VAL MG1 . . 4.920 4.117 3.650 4.644 . 0 0 "[ . 1 . 2]" 1
65 1 10 MET H 1 94 SER HB3 . . 5.120 4.062 3.496 4.701 . 0 0 "[ . 1 . 2]" 1
66 1 10 MET HA 1 10 MET HG2 . . 4.070 3.382 2.750 3.689 . 0 0 "[ . 1 . 2]" 1
67 1 10 MET HA 1 10 MET QG . . 3.560 2.836 2.306 3.389 . 0 0 "[ . 1 . 2]" 1
68 1 10 MET HA 1 10 MET HG3 . . 4.070 3.360 2.337 4.196 0.126 13 0 "[ . 1 . 2]" 1
69 1 10 MET HA 1 11 PRO HD2 . . 3.260 2.126 1.958 2.266 . 0 0 "[ . 1 . 2]" 1
70 1 10 MET HA 1 11 PRO HD3 . . 3.220 2.277 2.253 2.350 . 0 0 "[ . 1 . 2]" 1
71 1 10 MET QB 1 10 MET QG . . 2.360 2.014 1.967 2.061 . 0 0 "[ . 1 . 2]" 1
72 1 10 MET QB 1 11 PRO HD2 . . 3.580 2.673 2.233 3.236 . 0 0 "[ . 1 . 2]" 1
73 1 10 MET QG 1 11 PRO HD2 . . 4.200 3.698 3.275 4.112 . 0 0 "[ . 1 . 2]" 1
74 1 10 MET HG2 1 11 PRO HD2 . . 4.980 4.385 3.602 4.898 . 0 0 "[ . 1 . 2]" 1
75 1 10 MET HG3 1 11 PRO HD2 . . 4.980 4.122 3.341 4.918 . 0 0 "[ . 1 . 2]" 1
76 1 11 PRO HB2 1 12 PRO HD2 . . 4.110 2.191 1.999 2.501 . 0 0 "[ . 1 . 2]" 1
77 1 11 PRO HB2 1 12 PRO HD3 . . 4.660 3.610 3.449 3.863 . 0 0 "[ . 1 . 2]" 1
78 1 11 PRO HB2 1 97 SER H . . 4.750 3.389 3.012 3.773 . 0 0 "[ . 1 . 2]" 1
79 1 11 PRO HB2 1 97 SER HA . . 3.610 2.916 2.612 3.411 . 0 0 "[ . 1 . 2]" 1
80 1 11 PRO HB2 1 97 SER HB3 . . 4.590 2.248 2.018 2.642 . 0 0 "[ . 1 . 2]" 1
81 1 11 PRO HB3 1 12 PRO HD2 . . 4.310 2.782 2.688 2.944 . 0 0 "[ . 1 . 2]" 1
82 1 11 PRO HB3 1 87 VAL MG1 . . 4.710 4.403 4.046 4.712 0.002 10 0 "[ . 1 . 2]" 1
83 1 11 PRO HB3 1 94 SER HB2 . . 4.730 3.131 2.678 3.753 . 0 0 "[ . 1 . 2]" 1
84 1 11 PRO HB3 1 94 SER HB3 . . 5.500 4.504 3.926 4.905 . 0 0 "[ . 1 . 2]" 1
85 1 11 PRO HB3 1 94 SER HG . . 4.390 2.698 2.101 3.699 . 0 0 "[ . 1 . 2]" 1
86 1 11 PRO HB3 1 95 THR H . . 4.640 3.835 3.367 4.182 . 0 0 "[ . 1 . 2]" 1
87 1 11 PRO HB3 1 95 THR MG . . 4.700 2.967 2.478 4.661 . 0 0 "[ . 1 . 2]" 1
88 1 11 PRO HB3 1 97 SER H . . 4.710 3.573 3.167 4.119 . 0 0 "[ . 1 . 2]" 1
89 1 11 PRO HB3 1 97 SER HA . . 4.550 3.841 3.370 4.369 . 0 0 "[ . 1 . 2]" 1
90 1 11 PRO HD3 1 94 SER HG . . 5.440 4.065 3.418 4.705 . 0 0 "[ . 1 . 2]" 1
91 1 11 PRO HD3 1 95 THR MG . . 4.140 2.796 2.125 3.991 . 0 0 "[ . 1 . 2]" 1
92 1 11 PRO QG 1 94 SER HB2 . . 5.280 3.786 3.369 4.239 . 0 0 "[ . 1 . 2]" 1
93 1 11 PRO QG 1 95 THR H . . 4.050 3.896 3.422 4.055 0.005 4 0 "[ . 1 . 2]" 1
94 1 11 PRO QG 1 95 THR MG . . 3.820 2.185 1.885 3.814 . 0 0 "[ . 1 . 2]" 1
95 1 11 PRO QG 1 97 SER HA . . 4.240 3.345 2.932 3.739 . 0 0 "[ . 1 . 2]" 1
96 1 11 PRO QG 1 97 SER HB3 . . 4.610 3.858 3.523 4.230 . 0 0 "[ . 1 . 2]" 1
97 1 12 PRO QB 1 13 VAL H . . 3.470 2.650 2.245 3.477 0.007 8 0 "[ . 1 . 2]" 1
98 1 12 PRO QB 1 15 VAL MG2 . . 4.670 2.944 2.489 3.280 . 0 0 "[ . 1 . 2]" 1
99 1 12 PRO QB 1 29 TRP HB2 . . 3.950 2.350 2.151 2.509 . 0 0 "[ . 1 . 2]" 1
100 1 12 PRO QB 1 29 TRP HB3 . . 4.360 3.464 3.000 3.678 . 0 0 "[ . 1 . 2]" 1
101 1 12 PRO QB 1 29 TRP HD1 . . 3.330 2.453 2.139 2.751 . 0 0 "[ . 1 . 2]" 1
102 1 12 PRO QB 1 29 TRP HE1 . . 4.990 3.639 3.088 4.132 . 0 0 "[ . 1 . 2]" 1
103 1 12 PRO QB 1 30 ALA H . . 4.620 3.434 3.115 3.900 . 0 0 "[ . 1 . 2]" 1
104 1 12 PRO QB 1 46 TYR QE . . 4.370 3.013 2.425 3.359 . 0 0 "[ . 1 . 2]" 1
105 1 12 PRO QB 1 85 VAL HB . . 3.720 3.144 2.643 3.507 . 0 0 "[ . 1 . 2]" 1
106 1 12 PRO QB 1 85 VAL MG1 . . 3.890 3.121 2.439 3.580 . 0 0 "[ . 1 . 2]" 1
107 1 12 PRO QB 1 87 VAL MG1 . . 5.340 4.689 4.191 4.974 . 0 0 "[ . 1 . 2]" 1
108 1 12 PRO QB 1 97 SER HB3 . . 4.920 4.065 3.789 4.453 . 0 0 "[ . 1 . 2]" 1
109 1 12 PRO HB2 1 13 VAL H . . 4.190 2.758 2.285 3.736 . 0 0 "[ . 1 . 2]" 1
110 1 12 PRO HB2 1 29 TRP HB2 . . 4.560 2.379 2.177 2.542 . 0 0 "[ . 1 . 2]" 1
111 1 12 PRO HB2 1 29 TRP HB3 . . 4.980 3.550 3.056 3.788 . 0 0 "[ . 1 . 2]" 1
112 1 12 PRO HB2 1 29 TRP HD1 . . 4.040 2.910 2.594 3.243 . 0 0 "[ . 1 . 2]" 1
113 1 12 PRO HB2 1 46 TYR QE . . 4.990 4.664 4.106 4.965 . 0 0 "[ . 1 . 2]" 1
114 1 12 PRO HB2 1 85 VAL HB . . 4.470 3.336 2.737 3.745 . 0 0 "[ . 1 . 2]" 1
115 1 12 PRO HB2 1 85 VAL MG1 . . 4.430 3.656 2.880 4.119 . 0 0 "[ . 1 . 2]" 1
116 1 12 PRO HB3 1 13 VAL H . . 4.190 3.565 3.297 4.141 . 0 0 "[ . 1 . 2]" 1
117 1 12 PRO HB3 1 29 TRP HB2 . . 4.560 3.656 3.357 3.859 . 0 0 "[ . 1 . 2]" 1
118 1 12 PRO HB3 1 29 TRP HB3 . . 4.980 4.843 4.358 4.992 0.012 17 0 "[ . 1 . 2]" 1
119 1 12 PRO HB3 1 29 TRP HD1 . . 4.040 2.647 2.278 3.043 . 0 0 "[ . 1 . 2]" 1
120 1 12 PRO HB3 1 46 TYR QE . . 4.990 3.052 2.443 3.416 . 0 0 "[ . 1 . 2]" 1
121 1 12 PRO HB3 1 85 VAL HB . . 4.470 3.871 3.444 4.227 . 0 0 "[ . 1 . 2]" 1
122 1 12 PRO HB3 1 85 VAL MG1 . . 4.430 3.388 2.633 3.933 . 0 0 "[ . 1 . 2]" 1
123 1 12 PRO HD2 1 13 VAL H . . 5.500 5.504 5.467 5.571 0.071 10 0 "[ . 1 . 2]" 1
124 1 12 PRO HD2 1 85 VAL HB . . 5.330 4.049 3.788 4.229 . 0 0 "[ . 1 . 2]" 1
125 1 12 PRO HD2 1 85 VAL MG1 . . 4.780 4.411 4.036 4.750 . 0 0 "[ . 1 . 2]" 1
126 1 12 PRO HD2 1 86 MET HA . . 4.140 2.803 2.382 3.143 . 0 0 "[ . 1 . 2]" 1
127 1 12 PRO HD2 1 87 VAL H . . 4.370 4.217 3.872 4.370 0.000 6 0 "[ . 1 . 2]" 1
128 1 12 PRO HD2 1 87 VAL MG1 . . 4.350 4.150 3.757 4.349 . 0 0 "[ . 1 . 2]" 1
129 1 12 PRO HD2 1 94 SER HG . . 5.010 3.890 3.382 4.778 . 0 0 "[ . 1 . 2]" 1
130 1 12 PRO HD2 1 97 SER H . . 4.470 3.254 2.733 3.756 . 0 0 "[ . 1 . 2]" 1
131 1 12 PRO HD2 1 97 SER HA . . 5.170 4.234 3.882 4.829 . 0 0 "[ . 1 . 2]" 1
132 1 12 PRO HD2 1 97 SER HB2 . . 5.490 4.007 3.676 4.389 . 0 0 "[ . 1 . 2]" 1
133 1 12 PRO HD2 1 97 SER HB3 . . 4.340 2.318 2.001 2.697 . 0 0 "[ . 1 . 2]" 1
134 1 12 PRO HD3 1 85 VAL MG1 . . 4.840 3.919 3.592 4.285 . 0 0 "[ . 1 . 2]" 1
135 1 12 PRO HD3 1 86 MET HA . . 4.330 2.724 2.077 3.207 . 0 0 "[ . 1 . 2]" 1
136 1 12 PRO HD3 1 87 VAL H . . 4.000 3.363 2.702 3.737 . 0 0 "[ . 1 . 2]" 1
137 1 12 PRO HD3 1 87 VAL MG1 . . 3.570 2.975 2.484 3.201 . 0 0 "[ . 1 . 2]" 1
138 1 12 PRO HD3 1 94 SER HG . . 5.500 3.947 3.320 4.673 . 0 0 "[ . 1 . 2]" 1
139 1 12 PRO HG2 1 46 TYR QE . . 5.500 5.018 4.609 5.458 . 0 0 "[ . 1 . 2]" 1
140 1 12 PRO HG2 1 85 VAL H . . 5.040 3.718 3.375 4.076 . 0 0 "[ . 1 . 2]" 1
141 1 12 PRO HG2 1 85 VAL HB . . 3.640 2.306 2.026 2.551 . 0 0 "[ . 1 . 2]" 1
142 1 12 PRO HG2 1 85 VAL MG1 . . 4.090 3.481 3.122 3.827 . 0 0 "[ . 1 . 2]" 1
143 1 12 PRO HG2 1 85 VAL MG2 . . 4.010 3.756 3.599 4.006 . 0 0 "[ . 1 . 2]" 1
144 1 12 PRO HG2 1 86 MET HA . . 4.850 4.118 3.553 4.540 . 0 0 "[ . 1 . 2]" 1
145 1 12 PRO HG2 1 97 SER H . . 4.870 4.004 3.552 4.440 . 0 0 "[ . 1 . 2]" 1
146 1 12 PRO HG2 1 97 SER HB3 . . 4.400 2.432 2.120 2.880 . 0 0 "[ . 1 . 2]" 1
147 1 12 PRO HG3 1 29 TRP HE1 . . 4.960 4.652 4.107 4.964 0.004 19 0 "[ . 1 . 2]" 1
148 1 12 PRO HG3 1 46 TYR QE . . 4.530 3.480 3.075 3.984 . 0 0 "[ . 1 . 2]" 1
149 1 12 PRO HG3 1 85 VAL HB . . 4.620 2.118 1.992 2.312 . 0 0 "[ . 1 . 2]" 1
150 1 12 PRO HG3 1 85 VAL MG1 . . 3.840 2.324 2.009 2.705 . 0 0 "[ . 1 . 2]" 1
151 1 12 PRO HG3 1 87 VAL MG1 . . 5.040 4.789 4.194 5.015 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL H 1 13 VAL MG1 . . 3.570 2.917 2.471 3.247 . 0 0 "[ . 1 . 2]" 1
153 1 13 VAL H 1 13 VAL MG2 . . 3.080 2.210 1.924 2.492 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL H 1 29 TRP HB2 . . 4.350 3.370 3.030 3.862 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL H 1 29 TRP HB3 . . 5.500 5.025 4.674 5.503 0.003 19 0 "[ . 1 . 2]" 1
156 1 13 VAL H 1 29 TRP HD1 . . 4.770 4.041 3.701 4.509 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL H 1 30 ALA H . . 3.670 2.802 2.407 3.416 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL H 1 30 ALA MB . . 4.060 3.761 3.280 4.057 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL H 1 31 ASP HA . . 4.030 3.736 3.240 4.028 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL HB 1 14 GLY H . . 2.920 2.059 1.931 2.270 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL HB 1 14 GLY HA2 . . 4.670 4.127 4.041 4.201 . 0 0 "[ . 1 . 2]" 1
162 1 13 VAL HB 1 14 GLY QA . . 4.080 3.692 3.609 3.761 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL HB 1 14 GLY HA3 . . 4.670 4.163 4.053 4.288 . 0 0 "[ . 1 . 2]" 1
164 1 13 VAL HB 1 15 VAL H . . 4.760 4.404 4.208 4.593 . 0 0 "[ . 1 . 2]" 1
165 1 13 VAL HB 1 30 ALA MB . . 5.000 4.609 4.234 4.962 . 0 0 "[ . 1 . 2]" 1
166 1 13 VAL MG1 1 14 GLY H . . 3.730 3.570 3.434 3.670 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL MG1 1 30 ALA H . . 5.370 5.024 4.862 5.315 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL MG1 1 32 ASN QB . . 4.810 4.254 3.795 4.689 . 0 0 "[ . 1 . 2]" 1
169 1 13 VAL MG1 1 32 ASN HD21 . . 4.110 3.192 2.307 4.113 0.003 19 0 "[ . 1 . 2]" 1
170 1 13 VAL MG1 1 32 ASN QD . . 3.500 2.576 2.157 3.290 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL MG1 1 32 ASN HD22 . . 4.110 2.862 2.261 4.097 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL MG2 1 14 GLY H . . 3.800 3.069 2.880 3.277 . 0 0 "[ . 1 . 2]" 1
173 1 13 VAL MG2 1 14 GLY HA2 . . 4.420 4.172 3.952 4.376 . 0 0 "[ . 1 . 2]" 1
174 1 13 VAL MG2 1 14 GLY QA . . 3.790 3.241 3.083 3.423 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL MG2 1 14 GLY HA3 . . 4.420 3.379 3.217 3.574 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL MG2 1 29 TRP HB2 . . 5.450 4.500 4.243 4.791 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL MG2 1 30 ALA H . . 4.280 3.143 2.842 3.468 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL MG2 1 30 ALA MB . . 2.940 2.374 2.024 2.668 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL MG2 1 31 ASP HA . . 4.510 3.631 3.022 4.274 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL MG2 1 32 ASN H . . 4.190 3.436 2.860 4.131 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL MG2 1 32 ASN QB . . 4.320 3.956 3.252 4.327 0.007 14 0 "[ . 1 . 2]" 1
182 1 13 VAL MG2 1 32 ASN HD21 . . 3.780 2.986 2.257 3.710 . 0 0 "[ . 1 . 2]" 1
183 1 13 VAL MG2 1 32 ASN QD . . 3.260 2.310 1.779 2.719 . 0 0 "[ . 1 . 2]" 1
184 1 13 VAL MG2 1 32 ASN HD22 . . 3.780 2.626 1.852 3.697 . 0 0 "[ . 1 . 2]" 1
185 1 14 GLY H 1 15 VAL H . . 3.370 2.701 2.546 2.825 . 0 0 "[ . 1 . 2]" 1
186 1 14 GLY QA 1 30 ALA MB . . 4.110 3.323 3.041 3.660 . 0 0 "[ . 1 . 2]" 1
187 1 15 VAL H 1 15 VAL HB . . 2.970 2.615 2.503 2.796 . 0 0 "[ . 1 . 2]" 1
188 1 15 VAL H 1 15 VAL MG1 . . 3.850 3.765 3.739 3.783 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL H 1 15 VAL MG2 . . 2.850 2.125 1.902 2.353 . 0 0 "[ . 1 . 2]" 1
190 1 15 VAL H 1 16 GLN H . . 4.730 4.399 4.234 4.540 . 0 0 "[ . 1 . 2]" 1
191 1 15 VAL H 1 29 TRP HB2 . . 5.040 4.236 3.685 4.626 . 0 0 "[ . 1 . 2]" 1
192 1 15 VAL H 1 29 TRP HB3 . . 4.810 4.356 3.760 4.806 . 0 0 "[ . 1 . 2]" 1
193 1 15 VAL H 1 30 ALA H . . 5.500 4.634 4.270 5.128 . 0 0 "[ . 1 . 2]" 1
194 1 15 VAL H 1 100 ALA MB . . 5.500 5.223 4.723 5.494 . 0 0 "[ . 1 . 2]" 1
195 1 15 VAL HA 1 15 VAL MG1 . . 3.370 2.366 2.185 2.450 . 0 0 "[ . 1 . 2]" 1
196 1 15 VAL HA 1 15 VAL MG2 . . 3.420 2.383 2.300 2.471 . 0 0 "[ . 1 . 2]" 1
197 1 15 VAL HA 1 16 GLN H . . 2.780 2.157 2.140 2.201 . 0 0 "[ . 1 . 2]" 1
198 1 15 VAL HA 1 29 TRP HB2 . . 4.600 3.677 3.558 3.777 . 0 0 "[ . 1 . 2]" 1
199 1 15 VAL HA 1 29 TRP HB3 . . 4.250 2.664 2.432 2.906 . 0 0 "[ . 1 . 2]" 1
200 1 15 VAL HB 1 100 ALA MB . . 3.410 3.239 2.692 3.414 0.004 15 0 "[ . 1 . 2]" 1
201 1 15 VAL MG1 1 16 GLN H . . 3.410 2.953 2.605 3.305 . 0 0 "[ . 1 . 2]" 1
202 1 15 VAL MG1 1 16 GLN HA . . 5.060 3.626 3.387 3.854 . 0 0 "[ . 1 . 2]" 1
203 1 15 VAL MG1 1 16 GLN QG . . 5.340 4.814 4.232 5.244 . 0 0 "[ . 1 . 2]" 1
204 1 15 VAL MG1 1 27 ILE MD . . 4.230 3.628 3.124 3.999 . 0 0 "[ . 1 . 2]" 1
205 1 15 VAL MG1 1 29 TRP HB2 . . 4.730 4.460 4.062 4.710 . 0 0 "[ . 1 . 2]" 1
206 1 15 VAL MG1 1 29 TRP HB3 . . 4.070 3.317 2.952 3.618 . 0 0 "[ . 1 . 2]" 1
207 1 15 VAL MG1 1 29 TRP HE3 . . 4.430 3.684 3.268 3.999 . 0 0 "[ . 1 . 2]" 1
208 1 15 VAL MG1 1 83 PHE HB2 . . 4.350 3.836 3.527 4.261 . 0 0 "[ . 1 . 2]" 1
209 1 15 VAL MG1 1 83 PHE HB3 . . 4.600 4.062 3.531 4.573 . 0 0 "[ . 1 . 2]" 1
210 1 15 VAL MG1 1 84 SER HA . . 4.140 3.042 2.696 3.366 . 0 0 "[ . 1 . 2]" 1
211 1 15 VAL MG1 1 85 VAL H . . 4.740 3.550 3.078 4.209 . 0 0 "[ . 1 . 2]" 1
212 1 15 VAL MG1 1 85 VAL MG2 . . 3.320 2.392 2.001 2.785 . 0 0 "[ . 1 . 2]" 1
213 1 15 VAL MG1 1 97 SER HG . . 4.370 3.528 2.857 4.156 . 0 0 "[ . 1 . 2]" 1
214 1 15 VAL MG1 1 98 MET QG . . 4.780 3.595 3.082 4.059 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL MG1 1 100 ALA H . . 4.610 3.165 2.671 3.535 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL MG1 1 100 ALA MB . . 2.840 2.112 1.784 2.372 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL MG2 1 16 GLN H . . 4.200 4.181 4.067 4.217 0.017 17 0 "[ . 1 . 2]" 1
218 1 15 VAL MG2 1 29 TRP HB2 . . 3.610 2.638 2.295 3.052 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL MG2 1 29 TRP HB3 . . 3.420 2.468 2.232 2.993 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL MG2 1 29 TRP HD1 . . 5.170 4.722 4.443 5.034 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL MG2 1 30 ALA H . . 4.230 3.933 3.602 4.219 . 0 0 "[ . 1 . 2]" 1
222 1 15 VAL MG2 1 84 SER HA . . 4.340 3.983 3.565 4.308 . 0 0 "[ . 1 . 2]" 1
223 1 15 VAL MG2 1 85 VAL MG1 . . 4.550 4.101 3.710 4.505 . 0 0 "[ . 1 . 2]" 1
224 1 15 VAL MG2 1 85 VAL MG2 . . 3.450 2.593 2.081 2.973 . 0 0 "[ . 1 . 2]" 1
225 1 15 VAL MG2 1 97 SER H . . 5.340 4.710 4.507 4.959 . 0 0 "[ . 1 . 2]" 1
226 1 15 VAL MG2 1 97 SER HA . . 4.860 4.568 4.203 4.796 . 0 0 "[ . 1 . 2]" 1
227 1 15 VAL MG2 1 97 SER HB2 . . 3.550 2.495 2.088 2.935 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL MG2 1 97 SER HB3 . . 3.890 3.348 2.841 3.744 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL MG2 1 97 SER HG . . 3.610 2.760 2.198 3.223 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL MG2 1 98 MET H . . 4.350 3.815 3.390 4.353 0.003 14 0 "[ . 1 . 2]" 1
231 1 15 VAL MG2 1 98 MET HG2 . . 4.460 3.096 2.403 4.185 . 0 0 "[ . 1 . 2]" 1
232 1 15 VAL MG2 1 98 MET QG . . 3.910 2.822 2.313 3.532 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL MG2 1 98 MET HG3 . . 4.460 3.373 2.672 4.066 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLN H 1 16 GLN HB2 . . 3.800 2.888 2.426 3.698 . 0 0 "[ . 1 . 2]" 1
235 1 16 GLN H 1 16 GLN QB . . 3.330 2.625 2.392 3.199 . 0 0 "[ . 1 . 2]" 1
236 1 16 GLN H 1 16 GLN HB3 . . 3.800 3.330 2.643 3.805 0.005 15 0 "[ . 1 . 2]" 1
237 1 16 GLN H 1 16 GLN QE . . 4.950 4.513 3.655 4.944 . 0 0 "[ . 1 . 2]" 1
238 1 16 GLN H 1 16 GLN HG2 . . 4.730 4.169 2.040 4.728 . 0 0 "[ . 1 . 2]" 1
239 1 16 GLN H 1 16 GLN HG3 . . 4.730 3.932 2.452 4.729 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLN H 1 17 ALA H . . 4.530 4.446 4.391 4.493 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLN H 1 27 ILE HA . . 4.640 4.246 3.674 4.476 . 0 0 "[ . 1 . 2]" 1
242 1 16 GLN H 1 27 ILE MG . . 4.230 3.566 2.846 4.015 . 0 0 "[ . 1 . 2]" 1
243 1 16 GLN H 1 28 THR H . . 3.570 3.315 2.977 3.560 . 0 0 "[ . 1 . 2]" 1
244 1 16 GLN H 1 29 TRP HB2 . . 5.500 5.478 5.409 5.501 0.001 14 0 "[ . 1 . 2]" 1
245 1 16 GLN H 1 29 TRP HB3 . . 4.640 4.232 4.108 4.349 . 0 0 "[ . 1 . 2]" 1
246 1 16 GLN H 1 100 ALA MB . . 4.610 4.240 3.845 4.482 . 0 0 "[ . 1 . 2]" 1
247 1 16 GLN HA 1 16 GLN HG2 . . 4.190 2.887 2.430 3.631 . 0 0 "[ . 1 . 2]" 1
248 1 16 GLN HA 1 16 GLN HG3 . . 4.190 2.849 2.260 3.832 . 0 0 "[ . 1 . 2]" 1
249 1 16 GLN HA 1 17 ALA H . . 2.660 2.382 2.241 2.526 . 0 0 "[ . 1 . 2]" 1
250 1 16 GLN HA 1 17 ALA MB . . 4.200 3.830 3.726 3.907 . 0 0 "[ . 1 . 2]" 1
251 1 16 GLN HA 1 100 ALA MB . . 4.450 2.934 2.372 3.405 . 0 0 "[ . 1 . 2]" 1
252 1 16 GLN QB 1 17 ALA H . . 3.420 2.793 2.144 3.393 . 0 0 "[ . 1 . 2]" 1
253 1 16 GLN QB 1 28 THR H . . 4.330 3.948 3.334 4.319 . 0 0 "[ . 1 . 2]" 1
254 1 16 GLN HB2 1 17 ALA H . . 4.110 3.712 2.185 4.104 . 0 0 "[ . 1 . 2]" 1
255 1 16 GLN HB3 1 17 ALA H . . 4.110 3.034 2.161 3.727 . 0 0 "[ . 1 . 2]" 1
256 1 16 GLN HG2 1 17 ALA H . . 4.830 3.284 1.918 4.817 . 0 0 "[ . 1 . 2]" 1
257 1 16 GLN HG2 1 100 ALA MB . . 5.500 4.943 4.292 5.435 . 0 0 "[ . 1 . 2]" 1
258 1 16 GLN HG3 1 17 ALA H . . 4.830 3.716 2.102 4.740 . 0 0 "[ . 1 . 2]" 1
259 1 16 GLN HG3 1 100 ALA MB . . 5.500 4.913 4.427 5.500 . 0 0 "[ . 1 . 2]" 1
260 1 17 ALA H 1 17 ALA MB . . 3.060 2.454 2.278 2.662 . 0 0 "[ . 1 . 2]" 1
261 1 17 ALA H 1 27 ILE MD . . 4.950 4.180 3.793 4.737 . 0 0 "[ . 1 . 2]" 1
262 1 17 ALA MB 1 18 SER H . . 3.670 3.283 2.872 3.502 . 0 0 "[ . 1 . 2]" 1
263 1 17 ALA MB 1 19 ILE MD . . 3.440 3.004 2.560 3.403 . 0 0 "[ . 1 . 2]" 1
264 1 17 ALA MB 1 25 ILE MG . . 3.260 2.296 1.885 3.032 . 0 0 "[ . 1 . 2]" 1
265 1 17 ALA MB 1 27 ILE MD . . 3.190 2.076 1.827 2.551 . 0 0 "[ . 1 . 2]" 1
266 1 17 ALA MB 1 83 PHE QD . . 3.820 2.798 2.382 3.502 . 0 0 "[ . 1 . 2]" 1
267 1 17 ALA MB 1 83 PHE QE . . 4.040 3.316 2.657 4.025 . 0 0 "[ . 1 . 2]" 1
268 1 17 ALA MB 1 100 ALA MB . . 3.450 2.750 2.011 3.227 . 0 0 "[ . 1 . 2]" 1
269 1 17 ALA MB 1 101 HIS H . . 5.290 4.807 4.059 5.203 . 0 0 "[ . 1 . 2]" 1
270 1 17 ALA MB 1 102 GLY H . . 4.770 4.168 3.872 4.581 . 0 0 "[ . 1 . 2]" 1
271 1 17 ALA MB 1 102 GLY HA2 . . 4.470 3.588 3.375 4.196 . 0 0 "[ . 1 . 2]" 1
272 1 17 ALA MB 1 102 GLY HA3 . . 3.590 2.752 2.231 3.102 . 0 0 "[ . 1 . 2]" 1
273 1 18 SER H 1 18 SER HB2 . . 3.800 2.463 2.209 2.765 . 0 0 "[ . 1 . 2]" 1
274 1 18 SER H 1 18 SER QB . . 3.150 2.333 2.186 2.531 . 0 0 "[ . 1 . 2]" 1
275 1 18 SER H 1 18 SER HB3 . . 3.800 3.105 2.572 3.585 . 0 0 "[ . 1 . 2]" 1
276 1 18 SER H 1 20 LEU MD1 . . 5.500 5.215 3.556 5.499 . 0 0 "[ . 1 . 2]" 1
277 1 18 SER H 1 20 LEU MD2 . . 5.500 4.999 4.390 5.527 0.027 14 0 "[ . 1 . 2]" 1
278 1 18 SER H 1 25 ILE MG . . 3.590 2.836 2.084 3.325 . 0 0 "[ . 1 . 2]" 1
279 1 18 SER H 1 26 ARG QB . . 4.020 3.121 2.848 3.727 . 0 0 "[ . 1 . 2]" 1
280 1 18 SER H 1 27 ILE HA . . 4.170 3.877 3.599 4.091 . 0 0 "[ . 1 . 2]" 1
281 1 18 SER H 1 27 ILE MD . . 4.120 3.415 3.069 3.976 . 0 0 "[ . 1 . 2]" 1
282 1 18 SER QB 1 20 LEU QD . . 3.570 2.526 2.005 2.911 . 0 0 "[ . 1 . 2]" 1
283 1 18 SER QB 1 20 LEU HG . . 4.910 3.559 2.991 4.717 . 0 0 "[ . 1 . 2]" 1
284 1 18 SER QB 1 26 ARG H . . 4.160 2.940 2.380 3.703 . 0 0 "[ . 1 . 2]" 1
285 1 18 SER QB 1 26 ARG QB . . 3.080 2.101 1.924 2.459 . 0 0 "[ . 1 . 2]" 1
286 1 18 SER QB 1 26 ARG QG . . 4.720 3.937 3.661 4.353 . 0 0 "[ . 1 . 2]" 1
287 1 18 SER HB2 1 26 ARG HB2 . . 4.390 3.912 3.267 4.334 . 0 0 "[ . 1 . 2]" 1
288 1 18 SER HB2 1 26 ARG HB3 . . 4.390 2.565 2.003 3.043 . 0 0 "[ . 1 . 2]" 1
289 1 18 SER HB3 1 26 ARG HB2 . . 4.390 3.447 2.664 4.357 . 0 0 "[ . 1 . 2]" 1
290 1 18 SER HB3 1 26 ARG HB3 . . 4.390 2.729 2.001 3.741 . 0 0 "[ . 1 . 2]" 1
291 1 19 ILE H 1 19 ILE HB . . 3.240 2.629 2.528 2.731 . 0 0 "[ . 1 . 2]" 1
292 1 19 ILE H 1 19 ILE MD . . 3.630 2.978 2.299 3.496 . 0 0 "[ . 1 . 2]" 1
293 1 19 ILE H 1 19 ILE HG12 . . 4.010 2.104 1.901 2.417 . 0 0 "[ . 1 . 2]" 1
294 1 19 ILE H 1 19 ILE QG . . 3.140 2.091 1.893 2.394 . 0 0 "[ . 1 . 2]" 1
295 1 19 ILE H 1 19 ILE HG13 . . 4.010 3.606 3.439 3.878 . 0 0 "[ . 1 . 2]" 1
296 1 19 ILE H 1 19 ILE MG . . 4.200 3.780 3.751 3.870 . 0 0 "[ . 1 . 2]" 1
297 1 19 ILE HA 1 19 ILE MD . . 3.280 2.104 1.959 2.321 . 0 0 "[ . 1 . 2]" 1
298 1 19 ILE HA 1 19 ILE MG . . 3.140 2.286 2.162 2.447 . 0 0 "[ . 1 . 2]" 1
299 1 19 ILE HA 1 20 LEU H . . 3.010 2.172 2.140 2.253 . 0 0 "[ . 1 . 2]" 1
300 1 19 ILE HA 1 20 LEU QD . . 4.750 3.968 2.508 4.528 . 0 0 "[ . 1 . 2]" 1
301 1 19 ILE HA 1 20 LEU HG . . 5.500 4.231 3.752 5.496 . 0 0 "[ . 1 . 2]" 1
302 1 19 ILE HA 1 21 SER H . . 4.370 3.821 3.627 4.021 . 0 0 "[ . 1 . 2]" 1
303 1 19 ILE HA 1 25 ILE HA . . 3.620 3.045 2.750 3.297 . 0 0 "[ . 1 . 2]" 1
304 1 19 ILE HA 1 25 ILE MD . . 4.160 3.902 3.597 4.101 . 0 0 "[ . 1 . 2]" 1
305 1 19 ILE HA 1 25 ILE HG12 . . 3.590 2.579 2.380 2.716 . 0 0 "[ . 1 . 2]" 1
306 1 19 ILE HA 1 25 ILE HG13 . . 4.350 4.100 3.764 4.344 . 0 0 "[ . 1 . 2]" 1
307 1 19 ILE HA 1 25 ILE MG . . 3.870 3.237 2.884 3.443 . 0 0 "[ . 1 . 2]" 1
308 1 19 ILE HB 1 19 ILE MD . . 3.750 3.214 3.186 3.227 . 0 0 "[ . 1 . 2]" 1
309 1 19 ILE HB 1 20 LEU H . . 4.980 4.295 4.084 4.445 . 0 0 "[ . 1 . 2]" 1
310 1 19 ILE HB 1 105 PHE QE . . 3.980 3.336 2.939 3.612 . 0 0 "[ . 1 . 2]" 1
311 1 19 ILE HB 1 105 PHE HZ . . 4.060 3.388 2.892 4.005 . 0 0 "[ . 1 . 2]" 1
312 1 19 ILE MD 1 19 ILE MG . . 2.970 2.061 1.894 2.385 . 0 0 "[ . 1 . 2]" 1
313 1 19 ILE MD 1 20 LEU H . . 4.500 3.831 3.664 4.002 . 0 0 "[ . 1 . 2]" 1
314 1 19 ILE MD 1 21 SER H . . 5.180 4.807 4.438 4.989 . 0 0 "[ . 1 . 2]" 1
315 1 19 ILE MD 1 25 ILE HA . . 4.390 3.826 3.520 4.200 . 0 0 "[ . 1 . 2]" 1
316 1 19 ILE MD 1 25 ILE HG12 . . 3.110 2.244 1.944 2.486 . 0 0 "[ . 1 . 2]" 1
317 1 19 ILE MD 1 25 ILE MG . . 3.260 2.488 2.144 2.837 . 0 0 "[ . 1 . 2]" 1
318 1 19 ILE MD 1 102 GLY HA2 . . 3.550 3.205 2.924 3.551 0.001 14 0 "[ . 1 . 2]" 1
319 1 19 ILE MD 1 102 GLY HA3 . . 3.340 2.725 2.457 3.123 . 0 0 "[ . 1 . 2]" 1
320 1 19 ILE MD 1 103 THR H . . 3.420 3.122 2.802 3.344 . 0 0 "[ . 1 . 2]" 1
321 1 19 ILE MD 1 104 THR HA . . 4.070 2.703 2.107 3.240 . 0 0 "[ . 1 . 2]" 1
322 1 19 ILE MD 1 104 THR MG . . 4.400 2.808 2.424 3.196 . 0 0 "[ . 1 . 2]" 1
323 1 19 ILE QG 1 19 ILE MG . . 3.080 2.248 2.045 2.403 . 0 0 "[ . 1 . 2]" 1
324 1 19 ILE QG 1 25 ILE MD . . 4.790 4.218 3.892 4.423 . 0 0 "[ . 1 . 2]" 1
325 1 19 ILE QG 1 25 ILE MG . . 4.610 4.114 3.757 4.428 . 0 0 "[ . 1 . 2]" 1
326 1 19 ILE QG 1 103 THR H . . 4.210 3.775 3.358 4.080 . 0 0 "[ . 1 . 2]" 1
327 1 19 ILE QG 1 104 THR HA . . 4.630 3.613 3.067 4.037 . 0 0 "[ . 1 . 2]" 1
328 1 19 ILE HG12 1 19 ILE MG . . 3.650 3.180 3.132 3.199 . 0 0 "[ . 1 . 2]" 1
329 1 19 ILE HG12 1 103 THR H . . 5.020 4.735 4.117 5.019 . 0 0 "[ . 1 . 2]" 1
330 1 19 ILE HG13 1 19 ILE MG . . 3.650 2.301 2.073 2.484 . 0 0 "[ . 1 . 2]" 1
331 1 19 ILE HG13 1 103 THR H . . 5.020 3.968 3.559 4.338 . 0 0 "[ . 1 . 2]" 1
332 1 19 ILE MG 1 20 LEU H . . 3.540 2.960 2.510 3.386 . 0 0 "[ . 1 . 2]" 1
333 1 19 ILE MG 1 20 LEU HA . . 4.580 4.052 3.792 4.328 . 0 0 "[ . 1 . 2]" 1
334 1 19 ILE MG 1 21 SER H . . 3.340 3.191 2.781 3.340 . 0 0 "[ . 1 . 2]" 1
335 1 19 ILE MG 1 21 SER HA . . 4.630 3.970 3.769 4.214 . 0 0 "[ . 1 . 2]" 1
336 1 19 ILE MG 1 22 HIS HA . . 5.190 4.206 3.850 4.499 . 0 0 "[ . 1 . 2]" 1
337 1 19 ILE MG 1 24 THR H . . 4.960 4.601 4.257 4.848 . 0 0 "[ . 1 . 2]" 1
338 1 19 ILE MG 1 25 ILE HG12 . . 3.630 3.309 2.880 3.604 . 0 0 "[ . 1 . 2]" 1
339 1 19 ILE MG 1 103 THR H . . 5.500 5.077 4.715 5.316 . 0 0 "[ . 1 . 2]" 1
340 1 19 ILE MG 1 104 THR H . . 4.900 4.434 4.201 4.741 . 0 0 "[ . 1 . 2]" 1
341 1 19 ILE MG 1 104 THR HA . . 3.090 2.109 1.947 2.370 . 0 0 "[ . 1 . 2]" 1
342 1 19 ILE MG 1 104 THR HB . . 4.550 3.767 3.354 4.057 . 0 0 "[ . 1 . 2]" 1
343 1 19 ILE MG 1 104 THR MG . . 3.850 3.097 2.823 3.342 . 0 0 "[ . 1 . 2]" 1
344 1 19 ILE MG 1 105 PHE H . . 3.410 2.725 2.404 2.950 . 0 0 "[ . 1 . 2]" 1
345 1 19 ILE MG 1 105 PHE QD . . 3.840 2.682 2.356 3.112 . 0 0 "[ . 1 . 2]" 1
346 1 19 ILE MG 1 105 PHE QE . . 3.860 2.523 2.105 2.960 . 0 0 "[ . 1 . 2]" 1
347 1 19 ILE MG 1 105 PHE HZ . . 4.350 3.354 2.718 3.888 . 0 0 "[ . 1 . 2]" 1
348 1 20 LEU H 1 20 LEU QB . . 3.330 2.559 2.373 2.704 . 0 0 "[ . 1 . 2]" 1
349 1 20 LEU H 1 20 LEU MD1 . . 4.230 3.512 2.149 3.880 . 0 0 "[ . 1 . 2]" 1
350 1 20 LEU H 1 20 LEU QD . . 3.680 2.948 1.860 3.361 . 0 0 "[ . 1 . 2]" 1
351 1 20 LEU H 1 20 LEU MD2 . . 4.230 3.291 1.883 4.105 . 0 0 "[ . 1 . 2]" 1
352 1 20 LEU H 1 20 LEU HG . . 4.070 2.741 2.141 4.067 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU H 1 21 SER H . . 2.840 2.225 2.030 2.460 . 0 0 "[ . 1 . 2]" 1
354 1 20 LEU H 1 24 THR MG . . 4.500 3.969 3.456 4.298 . 0 0 "[ . 1 . 2]" 1
355 1 20 LEU H 1 25 ILE HA . . 3.450 2.730 2.231 3.099 . 0 0 "[ . 1 . 2]" 1
356 1 20 LEU H 1 25 ILE HG12 . . 4.700 3.500 3.236 3.765 . 0 0 "[ . 1 . 2]" 1
357 1 20 LEU H 1 26 ARG H . . 4.310 4.024 3.348 4.300 . 0 0 "[ . 1 . 2]" 1
358 1 20 LEU HA 1 20 LEU MD1 . . 4.000 3.603 2.084 3.954 . 0 0 "[ . 1 . 2]" 1
359 1 20 LEU HA 1 20 LEU QD . . 2.890 2.123 1.976 2.855 . 0 0 "[ . 1 . 2]" 1
360 1 20 LEU HA 1 20 LEU MD2 . . 4.000 2.376 1.981 3.753 . 0 0 "[ . 1 . 2]" 1
361 1 20 LEU HA 1 20 LEU HG . . 3.840 3.250 2.504 3.801 . 0 0 "[ . 1 . 2]" 1
362 1 20 LEU HA 1 105 PHE QE . . 4.770 4.089 3.631 4.551 . 0 0 "[ . 1 . 2]" 1
363 1 20 LEU QB 1 20 LEU QD . . 2.820 1.920 1.881 1.981 . 0 0 "[ . 1 . 2]" 1
364 1 20 LEU QB 1 21 SER H . . 3.300 2.509 2.403 2.693 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU QB 1 24 THR HB . . 3.490 2.272 2.004 2.526 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU QB 1 24 THR MG . . 3.850 2.295 1.944 2.853 . 0 0 "[ . 1 . 2]" 1
367 1 20 LEU HB2 1 21 SER H . . 3.820 2.550 2.441 2.764 . 0 0 "[ . 1 . 2]" 1
368 1 20 LEU HB2 1 24 THR HB . . 4.130 2.296 2.018 2.557 . 0 0 "[ . 1 . 2]" 1
369 1 20 LEU HB3 1 21 SER H . . 3.820 3.742 3.563 3.824 0.004 18 0 "[ . 1 . 2]" 1
370 1 20 LEU HB3 1 24 THR HB . . 4.130 3.696 3.319 4.088 . 0 0 "[ . 1 . 2]" 1
371 1 20 LEU QD 1 21 SER H . . 4.570 3.808 2.902 4.076 . 0 0 "[ . 1 . 2]" 1
372 1 20 LEU QD 1 24 THR HB . . 4.170 3.402 2.757 3.737 . 0 0 "[ . 1 . 2]" 1
373 1 20 LEU QD 1 25 ILE H . . 4.500 3.792 2.998 4.396 . 0 0 "[ . 1 . 2]" 1
374 1 20 LEU QD 1 25 ILE HA . . 4.030 3.132 1.877 3.773 . 0 0 "[ . 1 . 2]" 1
375 1 20 LEU QD 1 26 ARG H . . 3.610 2.868 1.771 3.395 . 0 0 "[ . 1 . 2]" 1
376 1 20 LEU QD 1 26 ARG QB . . 3.310 2.089 1.745 2.342 . 0 0 "[ . 1 . 2]" 1
377 1 20 LEU QD 1 26 ARG QD . . 3.580 3.093 2.562 3.586 0.006 3 0 "[ . 1 . 2]" 1
378 1 20 LEU MD1 1 21 SER H . . 5.490 4.307 3.753 4.511 . 0 0 "[ . 1 . 2]" 1
379 1 20 LEU MD1 1 26 ARG H . . 4.330 3.213 1.777 3.653 . 0 0 "[ . 1 . 2]" 1
380 1 20 LEU MD2 1 21 SER H . . 5.490 4.388 2.954 4.787 . 0 0 "[ . 1 . 2]" 1
381 1 20 LEU MD2 1 26 ARG H . . 4.330 3.648 1.942 4.326 . 0 0 "[ . 1 . 2]" 1
382 1 20 LEU HG 1 24 THR HB . . 5.500 4.521 4.136 5.396 . 0 0 "[ . 1 . 2]" 1
383 1 20 LEU HG 1 24 THR MG . . 4.240 3.512 2.897 4.245 0.005 14 0 "[ . 1 . 2]" 1
384 1 20 LEU HG 1 25 ILE HA . . 4.760 3.362 2.587 4.805 0.045 14 0 "[ . 1 . 2]" 1
385 1 20 LEU HG 1 26 ARG H . . 4.450 3.259 2.504 4.464 0.014 14 0 "[ . 1 . 2]" 1
386 1 21 SER H 1 21 SER QB . . 3.620 2.799 2.656 3.072 . 0 0 "[ . 1 . 2]" 1
387 1 21 SER H 1 22 HIS H . . 4.680 4.380 4.357 4.403 . 0 0 "[ . 1 . 2]" 1
388 1 21 SER H 1 23 ASP H . . 4.770 4.482 4.220 4.682 . 0 0 "[ . 1 . 2]" 1
389 1 21 SER H 1 24 THR H . . 3.720 3.072 2.906 3.227 . 0 0 "[ . 1 . 2]" 1
390 1 21 SER H 1 24 THR HB . . 3.520 2.354 2.169 2.587 . 0 0 "[ . 1 . 2]" 1
391 1 21 SER H 1 24 THR MG . . 4.480 3.709 3.385 3.936 . 0 0 "[ . 1 . 2]" 1
392 1 21 SER H 1 25 ILE HA . . 4.450 4.137 3.879 4.427 . 0 0 "[ . 1 . 2]" 1
393 1 21 SER H 1 25 ILE HG12 . . 5.100 4.370 4.055 4.759 . 0 0 "[ . 1 . 2]" 1
394 1 21 SER H 1 104 THR MG . . 5.040 4.561 4.260 4.971 . 0 0 "[ . 1 . 2]" 1
395 1 21 SER H 1 105 PHE H . . 5.500 5.290 4.984 5.491 . 0 0 "[ . 1 . 2]" 1
396 1 21 SER H 1 105 PHE QD . . 4.760 4.537 4.261 4.761 0.001 17 0 "[ . 1 . 2]" 1
397 1 21 SER H 1 105 PHE QE . . 5.500 5.017 4.283 5.437 . 0 0 "[ . 1 . 2]" 1
398 1 21 SER HA 1 22 HIS H . . 3.520 2.585 2.477 2.647 . 0 0 "[ . 1 . 2]" 1
399 1 21 SER HA 1 105 PHE QD . . 3.370 3.020 2.569 3.339 . 0 0 "[ . 1 . 2]" 1
400 1 21 SER HA 1 105 PHE QE . . 5.040 4.397 3.567 4.916 . 0 0 "[ . 1 . 2]" 1
401 1 21 SER QB 1 22 HIS H . . 3.010 2.194 1.929 2.916 . 0 0 "[ . 1 . 2]" 1
402 1 21 SER QB 1 24 THR H . . 3.960 2.819 2.398 3.238 . 0 0 "[ . 1 . 2]" 1
403 1 21 SER QB 1 24 THR HB . . 4.170 2.094 2.008 2.362 . 0 0 "[ . 1 . 2]" 1
404 1 21 SER QB 1 24 THR HG1 . . 4.030 2.301 1.983 2.945 . 0 0 "[ . 1 . 2]" 1
405 1 21 SER HB2 1 22 HIS H . . 3.870 3.348 2.811 3.875 0.005 16 0 "[ . 1 . 2]" 1
406 1 21 SER HB2 1 23 ASP H . . 4.150 3.098 2.503 4.144 . 0 0 "[ . 1 . 2]" 1
407 1 21 SER HB2 1 24 THR H . . 4.650 3.110 2.419 4.224 . 0 0 "[ . 1 . 2]" 1
408 1 21 SER HB3 1 22 HIS H . . 3.870 2.235 1.939 3.014 . 0 0 "[ . 1 . 2]" 1
409 1 21 SER HB3 1 23 ASP H . . 4.150 2.812 2.344 3.371 . 0 0 "[ . 1 . 2]" 1
410 1 21 SER HB3 1 24 THR H . . 4.650 3.760 2.797 4.266 . 0 0 "[ . 1 . 2]" 1
411 1 22 HIS H 1 22 HIS HB3 . . 3.740 2.524 2.372 2.708 . 0 0 "[ . 1 . 2]" 1
412 1 22 HIS H 1 23 ASP H . . 3.510 2.627 2.515 2.803 . 0 0 "[ . 1 . 2]" 1
413 1 22 HIS H 1 24 THR H . . 4.390 4.067 3.911 4.237 . 0 0 "[ . 1 . 2]" 1
414 1 22 HIS H 1 105 PHE H . . 5.000 4.597 4.318 4.781 . 0 0 "[ . 1 . 2]" 1
415 1 22 HIS H 1 105 PHE HB2 . . 4.760 3.938 3.492 4.204 . 0 0 "[ . 1 . 2]" 1
416 1 22 HIS H 1 105 PHE QD . . 4.770 4.300 3.746 4.755 . 0 0 "[ . 1 . 2]" 1
417 1 22 HIS HA 1 77 PRO HA . . 4.440 3.639 3.202 3.937 . 0 0 "[ . 1 . 2]" 1
418 1 22 HIS HA 1 78 ASN H . . 5.260 4.535 3.891 4.900 . 0 0 "[ . 1 . 2]" 1
419 1 22 HIS HA 1 104 THR HA . . 4.460 4.073 3.732 4.335 . 0 0 "[ . 1 . 2]" 1
420 1 22 HIS HA 1 104 THR MG . . 4.310 3.403 3.055 3.752 . 0 0 "[ . 1 . 2]" 1
421 1 22 HIS HA 1 105 PHE H . . 3.410 2.547 2.107 2.880 . 0 0 "[ . 1 . 2]" 1
422 1 22 HIS HA 1 105 PHE HB2 . . 4.110 3.182 2.573 3.522 . 0 0 "[ . 1 . 2]" 1
423 1 22 HIS HB2 1 23 ASP H . . 5.040 3.942 3.737 4.131 . 0 0 "[ . 1 . 2]" 1
424 1 22 HIS HB2 1 77 PRO HA . . 4.080 2.998 2.422 3.530 . 0 0 "[ . 1 . 2]" 1
425 1 22 HIS HB2 1 77 PRO HB2 . . 4.110 3.595 3.471 3.783 . 0 0 "[ . 1 . 2]" 1
426 1 22 HIS HB2 1 77 PRO HB3 . . 3.670 2.030 1.998 2.137 . 0 0 "[ . 1 . 2]" 1
427 1 22 HIS HB2 1 77 PRO HD2 . . 5.500 5.386 5.178 5.501 0.001 2 0 "[ . 1 . 2]" 1
428 1 22 HIS HB2 1 77 PRO HD3 . . 4.700 4.021 3.879 4.117 . 0 0 "[ . 1 . 2]" 1
429 1 22 HIS HB2 1 77 PRO HG2 . . 5.180 4.963 4.905 5.028 . 0 0 "[ . 1 . 2]" 1
430 1 22 HIS HB2 1 77 PRO HG3 . . 4.190 3.990 3.758 4.151 . 0 0 "[ . 1 . 2]" 1
431 1 22 HIS HB2 1 107 LEU H . . 4.920 4.223 3.698 4.642 . 0 0 "[ . 1 . 2]" 1
432 1 22 HIS HB2 1 107 LEU HA . . 4.680 3.972 3.264 4.403 . 0 0 "[ . 1 . 2]" 1
433 1 22 HIS HB2 1 107 LEU QB . . 4.500 2.968 2.223 3.978 . 0 0 "[ . 1 . 2]" 1
434 1 22 HIS HB2 1 107 LEU QD . . 4.710 3.316 2.063 3.823 . 0 0 "[ . 1 . 2]" 1
435 1 22 HIS HB3 1 77 PRO HA . . 5.090 4.450 3.904 4.844 . 0 0 "[ . 1 . 2]" 1
436 1 22 HIS HB3 1 77 PRO HB2 . . 4.870 4.670 4.371 4.869 . 0 0 "[ . 1 . 2]" 1
437 1 22 HIS HB3 1 77 PRO HB3 . . 3.970 3.420 3.216 3.549 . 0 0 "[ . 1 . 2]" 1
438 1 22 HIS HB3 1 77 PRO HG3 . . 5.340 5.309 5.225 5.348 0.008 19 0 "[ . 1 . 2]" 1
439 1 22 HIS HB3 1 105 PHE H . . 4.780 4.383 3.984 4.778 . 0 0 "[ . 1 . 2]" 1
440 1 22 HIS HB3 1 107 LEU H . . 5.040 4.558 3.908 4.951 . 0 0 "[ . 1 . 2]" 1
441 1 22 HIS HB3 1 107 LEU HA . . 3.780 3.403 2.534 3.785 0.005 14 0 "[ . 1 . 2]" 1
442 1 22 HIS HB3 1 107 LEU QB . . 4.570 3.454 2.686 4.522 . 0 0 "[ . 1 . 2]" 1
443 1 22 HIS HB3 1 107 LEU MD1 . . 4.810 3.988 3.378 4.811 0.001 4 0 "[ . 1 . 2]" 1
444 1 22 HIS HB3 1 107 LEU MD2 . . 4.810 4.235 2.462 4.797 . 0 0 "[ . 1 . 2]" 1
445 1 22 HIS HD2 1 23 ASP QB . . 3.850 3.136 2.382 3.670 . 0 0 "[ . 1 . 2]" 1
446 1 22 HIS HD2 1 77 PRO HB3 . . 4.700 3.293 2.901 3.682 . 0 0 "[ . 1 . 2]" 1
447 1 22 HIS HD2 1 77 PRO HD3 . . 4.680 3.140 2.720 3.672 . 0 0 "[ . 1 . 2]" 1
448 1 22 HIS HD2 1 77 PRO HG2 . . 5.500 5.185 4.709 5.499 . 0 0 "[ . 1 . 2]" 1
449 1 22 HIS HD2 1 77 PRO HG3 . . 3.840 3.663 3.171 3.845 0.005 8 0 "[ . 1 . 2]" 1
450 1 22 HIS HD2 1 107 LEU MD1 . . 4.270 3.077 1.937 4.270 0.000 4 0 "[ . 1 . 2]" 1
451 1 22 HIS HD2 1 107 LEU QD . . 3.610 2.195 1.920 2.563 . 0 0 "[ . 1 . 2]" 1
452 1 22 HIS HD2 1 107 LEU MD2 . . 4.270 2.858 1.923 4.269 . 0 0 "[ . 1 . 2]" 1
453 1 22 HIS HE1 1 23 ASP H . . 5.470 4.238 3.463 4.931 . 0 0 "[ . 1 . 2]" 1
454 1 22 HIS HE1 1 107 LEU QD . . 4.500 3.552 2.723 4.380 . 0 0 "[ . 1 . 2]" 1
455 1 23 ASP H 1 24 THR H . . 2.800 2.403 2.101 2.688 . 0 0 "[ . 1 . 2]" 1
456 1 23 ASP H 1 24 THR HA . . 5.020 4.696 4.570 4.821 . 0 0 "[ . 1 . 2]" 1
457 1 23 ASP H 1 24 THR HB . . 4.480 4.239 4.038 4.411 . 0 0 "[ . 1 . 2]" 1
458 1 23 ASP H 1 24 THR HG1 . . 4.500 3.077 2.793 3.759 . 0 0 "[ . 1 . 2]" 1
459 1 23 ASP H 1 104 THR MG . . 4.870 4.303 3.833 4.651 . 0 0 "[ . 1 . 2]" 1
460 1 23 ASP HA 1 25 ILE MD . . 5.340 4.764 4.349 5.199 . 0 0 "[ . 1 . 2]" 1
461 1 23 ASP HA 1 75 LEU H . . 3.740 2.777 2.356 3.305 . 0 0 "[ . 1 . 2]" 1
462 1 23 ASP HA 1 75 LEU HB2 . . 3.860 2.569 2.145 2.985 . 0 0 "[ . 1 . 2]" 1
463 1 23 ASP HA 1 75 LEU HB3 . . 4.720 4.267 3.772 4.653 . 0 0 "[ . 1 . 2]" 1
464 1 23 ASP HA 1 75 LEU QD . . 4.500 3.347 3.024 3.587 . 0 0 "[ . 1 . 2]" 1
465 1 23 ASP QB 1 74 GLY H . . 3.870 2.574 1.942 3.743 . 0 0 "[ . 1 . 2]" 1
466 1 23 ASP QB 1 75 LEU H . . 3.310 2.211 1.891 3.314 0.004 20 0 "[ . 1 . 2]" 1
467 1 23 ASP HB2 1 74 GLY H . . 4.710 3.118 1.948 4.524 . 0 0 "[ . 1 . 2]" 1
468 1 23 ASP HB3 1 74 GLY H . . 4.710 3.646 2.267 4.443 . 0 0 "[ . 1 . 2]" 1
469 1 24 THR H 1 24 THR HB . . 3.350 2.909 2.801 2.999 . 0 0 "[ . 1 . 2]" 1
470 1 24 THR H 1 24 THR HG1 . . 3.620 2.816 2.603 3.260 . 0 0 "[ . 1 . 2]" 1
471 1 24 THR H 1 24 THR MG . . 4.120 3.962 3.910 3.994 . 0 0 "[ . 1 . 2]" 1
472 1 24 THR H 1 25 ILE H . . 4.610 4.259 4.140 4.399 . 0 0 "[ . 1 . 2]" 1
473 1 24 THR H 1 25 ILE HG13 . . 4.860 3.463 3.190 3.911 . 0 0 "[ . 1 . 2]" 1
474 1 24 THR H 1 75 LEU QD . . 4.750 4.011 3.626 4.274 . 0 0 "[ . 1 . 2]" 1
475 1 24 THR H 1 104 THR MG . . 4.070 3.302 2.870 3.771 . 0 0 "[ . 1 . 2]" 1
476 1 24 THR HA 1 24 THR MG . . 3.390 2.290 2.147 2.409 . 0 0 "[ . 1 . 2]" 1
477 1 24 THR HA 1 25 ILE H . . 2.790 2.163 2.142 2.228 . 0 0 "[ . 1 . 2]" 1
478 1 24 THR HA 1 25 ILE HA . . 5.140 4.416 4.398 4.456 . 0 0 "[ . 1 . 2]" 1
479 1 24 THR HA 1 73 THR HA . . 3.610 3.010 2.466 3.262 . 0 0 "[ . 1 . 2]" 1
480 1 24 THR HA 1 73 THR HB . . 5.440 4.545 4.026 5.021 . 0 0 "[ . 1 . 2]" 1
481 1 24 THR HA 1 74 GLY H . . 4.860 4.435 4.004 4.826 . 0 0 "[ . 1 . 2]" 1
482 1 24 THR HA 1 75 LEU H . . 5.500 5.339 4.633 5.467 . 0 0 "[ . 1 . 2]" 1
483 1 24 THR HA 1 75 LEU QD . . 4.160 3.822 3.356 4.150 . 0 0 "[ . 1 . 2]" 1
484 1 24 THR HB 1 25 ILE H . . 4.270 4.036 3.820 4.184 . 0 0 "[ . 1 . 2]" 1
485 1 24 THR HB 1 71 LEU QD . . 4.870 4.355 4.045 4.811 . 0 0 "[ . 1 . 2]" 1
486 1 24 THR MG 1 25 ILE H . . 3.370 2.535 2.067 2.829 . 0 0 "[ . 1 . 2]" 1
487 1 24 THR MG 1 25 ILE HA . . 3.930 3.625 3.332 3.828 . 0 0 "[ . 1 . 2]" 1
488 1 24 THR MG 1 26 ARG H . . 4.770 4.473 4.009 4.656 . 0 0 "[ . 1 . 2]" 1
489 1 24 THR MG 1 71 LEU QD . . 3.020 2.130 1.842 2.564 . 0 0 "[ . 1 . 2]" 1
490 1 24 THR MG 1 73 THR HA . . 4.430 4.234 3.796 4.433 0.003 14 0 "[ . 1 . 2]" 1
491 1 25 ILE H 1 25 ILE HB . . 3.460 2.882 2.814 2.977 . 0 0 "[ . 1 . 2]" 1
492 1 25 ILE H 1 25 ILE MD . . 5.190 4.338 4.090 4.514 . 0 0 "[ . 1 . 2]" 1
493 1 25 ILE H 1 25 ILE HG13 . . 4.090 3.176 2.992 3.467 . 0 0 "[ . 1 . 2]" 1
494 1 25 ILE H 1 25 ILE MG . . 4.360 3.921 3.844 3.955 . 0 0 "[ . 1 . 2]" 1
495 1 25 ILE H 1 26 ARG H . . 4.880 4.238 3.979 4.378 . 0 0 "[ . 1 . 2]" 1
496 1 25 ILE H 1 71 LEU QD . . 4.570 2.696 2.209 3.532 . 0 0 "[ . 1 . 2]" 1
497 1 25 ILE H 1 72 VAL HB . . 4.240 3.905 3.718 4.136 . 0 0 "[ . 1 . 2]" 1
498 1 25 ILE H 1 72 VAL MG1 . . 5.050 4.858 4.641 5.040 . 0 0 "[ . 1 . 2]" 1
499 1 25 ILE H 1 72 VAL MG2 . . 5.120 4.809 4.384 5.055 . 0 0 "[ . 1 . 2]" 1
500 1 25 ILE H 1 73 THR HA . . 4.230 3.962 3.602 4.208 . 0 0 "[ . 1 . 2]" 1
501 1 25 ILE H 1 75 LEU QD . . 3.920 3.733 3.463 3.918 . 0 0 "[ . 1 . 2]" 1
502 1 25 ILE HA 1 25 ILE MD . . 4.160 3.820 3.751 3.893 . 0 0 "[ . 1 . 2]" 1
503 1 25 ILE HA 1 25 ILE HG12 . . 3.650 2.525 2.398 2.679 . 0 0 "[ . 1 . 2]" 1
504 1 25 ILE HA 1 25 ILE HG13 . . 3.800 3.018 2.848 3.169 . 0 0 "[ . 1 . 2]" 1
505 1 25 ILE HA 1 25 ILE MG . . 3.440 2.413 2.337 2.496 . 0 0 "[ . 1 . 2]" 1
506 1 25 ILE HA 1 26 ARG H . . 2.930 2.178 2.142 2.250 . 0 0 "[ . 1 . 2]" 1
507 1 25 ILE HB 1 25 ILE MD . . 3.320 2.365 2.200 2.501 . 0 0 "[ . 1 . 2]" 1
508 1 25 ILE HB 1 26 ARG H . . 4.600 4.096 3.846 4.324 . 0 0 "[ . 1 . 2]" 1
509 1 25 ILE HB 1 72 VAL HB . . 3.910 2.782 2.457 3.144 . 0 0 "[ . 1 . 2]" 1
510 1 25 ILE HB 1 75 LEU QD . . 3.740 2.941 2.564 3.160 . 0 0 "[ . 1 . 2]" 1
511 1 25 ILE HB 1 83 PHE QE . . 4.770 4.005 3.676 4.444 . 0 0 "[ . 1 . 2]" 1
512 1 25 ILE HB 1 83 PHE HZ . . 4.400 3.646 3.093 4.058 . 0 0 "[ . 1 . 2]" 1
513 1 25 ILE MD 1 25 ILE MG . . 2.880 2.076 1.907 2.331 . 0 0 "[ . 1 . 2]" 1
514 1 25 ILE MD 1 26 ARG H . . 5.310 4.978 4.738 5.196 . 0 0 "[ . 1 . 2]" 1
515 1 25 ILE MD 1 27 ILE MD . . 4.640 3.836 3.513 4.243 . 0 0 "[ . 1 . 2]" 1
516 1 25 ILE MD 1 72 VAL H . . 5.500 5.426 5.186 5.505 0.005 14 0 "[ . 1 . 2]" 1
517 1 25 ILE MD 1 72 VAL MG1 . . 4.810 4.188 3.722 4.617 . 0 0 "[ . 1 . 2]" 1
518 1 25 ILE MD 1 72 VAL MG2 . . 4.610 4.355 3.992 4.607 . 0 0 "[ . 1 . 2]" 1
519 1 25 ILE MD 1 75 LEU MD1 . . 4.540 1.945 1.713 2.288 . 0 0 "[ . 1 . 2]" 1
520 1 25 ILE MD 1 75 LEU QD . . 3.160 1.938 1.710 2.275 . 0 0 "[ . 1 . 2]" 1
521 1 25 ILE MD 1 75 LEU MD2 . . 4.540 3.708 3.434 4.106 . 0 0 "[ . 1 . 2]" 1
522 1 25 ILE MD 1 81 TYR HB2 . . 4.740 3.577 3.197 3.935 . 0 0 "[ . 1 . 2]" 1
523 1 25 ILE MD 1 81 TYR QB . . 3.960 3.369 3.038 3.702 . 0 0 "[ . 1 . 2]" 1
524 1 25 ILE MD 1 81 TYR HB3 . . 4.740 4.135 3.710 4.571 . 0 0 "[ . 1 . 2]" 1
525 1 25 ILE MD 1 83 PHE QE . . 3.380 2.365 1.993 2.743 . 0 0 "[ . 1 . 2]" 1
526 1 25 ILE MD 1 83 PHE HZ . . 3.190 2.052 1.851 2.549 . 0 0 "[ . 1 . 2]" 1
527 1 25 ILE MD 1 102 GLY H . . 5.320 4.655 4.478 4.950 . 0 0 "[ . 1 . 2]" 1
528 1 25 ILE MD 1 102 GLY HA2 . . 5.020 4.690 4.295 5.022 0.002 4 0 "[ . 1 . 2]" 1
529 1 25 ILE MD 1 102 GLY HA3 . . 3.900 3.397 3.070 3.828 . 0 0 "[ . 1 . 2]" 1
530 1 25 ILE MD 1 103 THR H . . 5.170 4.943 4.697 5.166 . 0 0 "[ . 1 . 2]" 1
531 1 25 ILE MD 1 103 THR HA . . 5.040 4.597 4.422 4.917 . 0 0 "[ . 1 . 2]" 1
532 1 25 ILE MD 1 104 THR H . . 4.060 3.863 3.557 4.053 . 0 0 "[ . 1 . 2]" 1
533 1 25 ILE MD 1 104 THR HA . . 4.140 3.745 3.413 4.055 . 0 0 "[ . 1 . 2]" 1
534 1 25 ILE MD 1 104 THR MG . . 3.070 1.953 1.782 2.277 . 0 0 "[ . 1 . 2]" 1
535 1 25 ILE HG12 1 25 ILE MG . . 3.380 2.333 2.173 2.468 . 0 0 "[ . 1 . 2]" 1
536 1 25 ILE HG12 1 26 ARG H . . 5.060 4.298 3.953 4.458 . 0 0 "[ . 1 . 2]" 1
537 1 25 ILE HG12 1 75 LEU QD . . 4.610 3.790 3.511 4.096 . 0 0 "[ . 1 . 2]" 1
538 1 25 ILE HG12 1 104 THR MG . . 4.450 2.963 2.752 3.143 . 0 0 "[ . 1 . 2]" 1
539 1 25 ILE HG13 1 25 ILE MG . . 3.650 3.191 3.177 3.202 . 0 0 "[ . 1 . 2]" 1
540 1 25 ILE HG13 1 75 LEU QD . . 3.380 2.581 2.279 2.980 . 0 0 "[ . 1 . 2]" 1
541 1 25 ILE HG13 1 104 THR MG . . 3.990 2.782 2.616 2.983 . 0 0 "[ . 1 . 2]" 1
542 1 25 ILE MG 1 26 ARG H . . 3.240 2.319 2.000 2.869 . 0 0 "[ . 1 . 2]" 1
543 1 25 ILE MG 1 26 ARG QB . . 4.930 3.891 3.757 4.171 . 0 0 "[ . 1 . 2]" 1
544 1 25 ILE MG 1 27 ILE HA . . 4.630 4.039 3.851 4.243 . 0 0 "[ . 1 . 2]" 1
545 1 25 ILE MG 1 27 ILE MD . . 3.070 2.074 1.802 2.398 . 0 0 "[ . 1 . 2]" 1
546 1 25 ILE MG 1 27 ILE QG . . 3.920 2.819 2.357 3.165 . 0 0 "[ . 1 . 2]" 1
547 1 25 ILE MG 1 75 LEU QD . . 4.000 3.731 3.425 3.944 . 0 0 "[ . 1 . 2]" 1
548 1 25 ILE MG 1 83 PHE QE . . 3.920 2.998 2.440 3.376 . 0 0 "[ . 1 . 2]" 1
549 1 25 ILE MG 1 83 PHE HZ . . 4.000 3.520 2.919 3.900 . 0 0 "[ . 1 . 2]" 1
550 1 25 ILE MG 1 102 GLY HA3 . . 4.600 3.845 3.592 4.091 . 0 0 "[ . 1 . 2]" 1
551 1 26 ARG H 1 26 ARG HB2 . . 3.600 2.596 2.439 2.790 . 0 0 "[ . 1 . 2]" 1
552 1 26 ARG H 1 26 ARG HB3 . . 3.600 2.738 2.558 2.868 . 0 0 "[ . 1 . 2]" 1
553 1 26 ARG H 1 26 ARG QG . . 4.280 4.027 3.969 4.081 . 0 0 "[ . 1 . 2]" 1
554 1 26 ARG H 1 27 ILE H . . 4.880 4.412 4.251 4.505 . 0 0 "[ . 1 . 2]" 1
555 1 26 ARG QB 1 27 ILE H . . 4.480 3.751 3.604 3.896 . 0 0 "[ . 1 . 2]" 1
556 1 26 ARG QB 1 71 LEU QD . . 3.380 2.761 2.206 3.344 . 0 0 "[ . 1 . 2]" 1
557 1 26 ARG HB2 1 26 ARG HD2 . . 3.810 2.818 2.229 3.713 . 0 0 "[ . 1 . 2]" 1
558 1 26 ARG HB2 1 26 ARG HD3 . . 3.810 3.146 2.362 3.723 . 0 0 "[ . 1 . 2]" 1
559 1 26 ARG HB3 1 26 ARG HD2 . . 3.810 2.977 2.387 3.774 . 0 0 "[ . 1 . 2]" 1
560 1 26 ARG HB3 1 26 ARG HD3 . . 3.810 2.817 2.207 3.689 . 0 0 "[ . 1 . 2]" 1
561 1 26 ARG QD 1 28 THR MG . . 3.590 2.939 2.239 3.556 . 0 0 "[ . 1 . 2]" 1
562 1 26 ARG QD 1 71 LEU QD . . 4.640 3.545 2.697 4.508 . 0 0 "[ . 1 . 2]" 1
563 1 26 ARG HD2 1 28 THR MG . . 4.370 3.805 2.555 4.370 0.000 17 0 "[ . 1 . 2]" 1
564 1 26 ARG HD3 1 28 THR MG . . 4.370 3.221 2.365 4.359 . 0 0 "[ . 1 . 2]" 1
565 1 26 ARG QG 1 27 ILE H . . 3.650 2.914 2.625 3.345 . 0 0 "[ . 1 . 2]" 1
566 1 26 ARG QG 1 69 SER QB . . 5.150 4.016 3.056 4.927 . 0 0 "[ . 1 . 2]" 1
567 1 26 ARG QG 1 70 TYR H . . 4.770 4.284 3.698 4.771 0.001 3 0 "[ . 1 . 2]" 1
568 1 26 ARG QG 1 71 LEU HA . . 4.740 3.763 3.217 4.228 . 0 0 "[ . 1 . 2]" 1
569 1 26 ARG QG 1 71 LEU QD . . 3.910 2.470 1.951 3.295 . 0 0 "[ . 1 . 2]" 1
570 1 27 ILE H 1 27 ILE HB . . 3.620 2.638 2.505 2.760 . 0 0 "[ . 1 . 2]" 1
571 1 27 ILE H 1 27 ILE MD . . 4.580 3.628 3.319 3.940 . 0 0 "[ . 1 . 2]" 1
572 1 27 ILE H 1 27 ILE HG12 . . 4.440 2.659 2.377 3.003 . 0 0 "[ . 1 . 2]" 1
573 1 27 ILE H 1 27 ILE QG . . 3.720 2.623 2.353 2.942 . 0 0 "[ . 1 . 2]" 1
574 1 27 ILE H 1 27 ILE HG13 . . 4.440 4.013 3.770 4.216 . 0 0 "[ . 1 . 2]" 1
575 1 27 ILE H 1 27 ILE MG . . 4.450 3.847 3.788 3.898 . 0 0 "[ . 1 . 2]" 1
576 1 27 ILE H 1 28 THR H . . 4.710 4.135 3.928 4.396 . 0 0 "[ . 1 . 2]" 1
577 1 27 ILE H 1 71 LEU HA . . 4.240 2.883 2.424 3.343 . 0 0 "[ . 1 . 2]" 1
578 1 27 ILE H 1 72 VAL H . . 4.610 3.869 3.175 4.544 . 0 0 "[ . 1 . 2]" 1
579 1 27 ILE H 1 72 VAL MG2 . . 4.910 4.126 3.569 4.779 . 0 0 "[ . 1 . 2]" 1
580 1 27 ILE HA 1 27 ILE MD . . 3.330 2.100 1.987 2.264 . 0 0 "[ . 1 . 2]" 1
581 1 27 ILE HA 1 27 ILE MG . . 3.290 2.299 2.175 2.420 . 0 0 "[ . 1 . 2]" 1
582 1 27 ILE HA 1 28 THR H . . 2.750 2.171 2.142 2.222 . 0 0 "[ . 1 . 2]" 1
583 1 27 ILE HB 1 28 THR H . . 4.470 4.363 4.097 4.448 . 0 0 "[ . 1 . 2]" 1
584 1 27 ILE HB 1 29 TRP HE3 . . 4.990 4.042 3.762 4.520 . 0 0 "[ . 1 . 2]" 1
585 1 27 ILE HB 1 29 TRP HZ3 . . 3.670 2.822 2.604 3.389 . 0 0 "[ . 1 . 2]" 1
586 1 27 ILE HB 1 48 VAL MG1 . . 4.480 3.876 3.423 4.180 . 0 0 "[ . 1 . 2]" 1
587 1 27 ILE HB 1 48 VAL MG2 . . 4.460 4.060 3.698 4.374 . 0 0 "[ . 1 . 2]" 1
588 1 27 ILE HB 1 70 TYR H . . 4.090 3.305 2.843 3.748 . 0 0 "[ . 1 . 2]" 1
589 1 27 ILE HB 1 70 TYR HB3 . . 4.320 2.695 2.109 3.289 . 0 0 "[ . 1 . 2]" 1
590 1 27 ILE HB 1 70 TYR QD . . 5.230 3.737 3.286 4.331 . 0 0 "[ . 1 . 2]" 1
591 1 27 ILE HB 1 72 VAL MG2 . . 4.560 3.522 2.969 4.264 . 0 0 "[ . 1 . 2]" 1
592 1 27 ILE MD 1 27 ILE MG . . 2.980 2.011 1.887 2.239 . 0 0 "[ . 1 . 2]" 1
593 1 27 ILE MD 1 28 THR H . . 4.050 3.821 3.655 4.037 . 0 0 "[ . 1 . 2]" 1
594 1 27 ILE MD 1 29 TRP HZ3 . . 5.460 5.078 4.928 5.337 . 0 0 "[ . 1 . 2]" 1
595 1 27 ILE MD 1 48 VAL MG1 . . 4.450 4.248 3.744 4.445 . 0 0 "[ . 1 . 2]" 1
596 1 27 ILE MD 1 72 VAL MG2 . . 4.020 3.312 2.561 3.949 . 0 0 "[ . 1 . 2]" 1
597 1 27 ILE MD 1 83 PHE HB2 . . 4.260 2.834 2.401 3.656 . 0 0 "[ . 1 . 2]" 1
598 1 27 ILE MD 1 83 PHE HB3 . . 4.240 2.681 2.239 3.421 . 0 0 "[ . 1 . 2]" 1
599 1 27 ILE MD 1 83 PHE QD . . 4.000 2.803 2.453 3.123 . 0 0 "[ . 1 . 2]" 1
600 1 27 ILE MD 1 83 PHE QE . . 4.210 3.528 3.200 3.784 . 0 0 "[ . 1 . 2]" 1
601 1 27 ILE MD 1 83 PHE HZ . . 5.500 4.387 4.023 4.706 . 0 0 "[ . 1 . 2]" 1
602 1 27 ILE MD 1 100 ALA MB . . 4.510 3.440 2.978 4.007 . 0 0 "[ . 1 . 2]" 1
603 1 27 ILE QG 1 27 ILE MG . . 3.230 2.280 2.128 2.391 . 0 0 "[ . 1 . 2]" 1
604 1 27 ILE QG 1 70 TYR H . . 5.340 4.831 4.476 5.177 . 0 0 "[ . 1 . 2]" 1
605 1 27 ILE QG 1 70 TYR HB3 . . 5.170 4.014 3.273 4.741 . 0 0 "[ . 1 . 2]" 1
606 1 27 ILE QG 1 71 LEU HA . . 4.980 3.833 3.126 4.415 . 0 0 "[ . 1 . 2]" 1
607 1 27 ILE QG 1 72 VAL H . . 4.480 3.226 2.593 3.808 . 0 0 "[ . 1 . 2]" 1
608 1 27 ILE QG 1 83 PHE QD . . 4.440 3.353 2.784 3.762 . 0 0 "[ . 1 . 2]" 1
609 1 27 ILE HG12 1 27 ILE MG . . 3.740 3.184 3.170 3.191 . 0 0 "[ . 1 . 2]" 1
610 1 27 ILE HG12 1 72 VAL MG2 . . 3.640 2.588 2.003 3.313 . 0 0 "[ . 1 . 2]" 1
611 1 27 ILE HG13 1 27 ILE MG . . 3.740 2.336 2.162 2.472 . 0 0 "[ . 1 . 2]" 1
612 1 27 ILE HG13 1 72 VAL MG2 . . 3.640 2.457 1.970 3.298 . 0 0 "[ . 1 . 2]" 1
613 1 27 ILE MG 1 28 THR H . . 3.210 2.970 2.559 3.211 0.001 1 0 "[ . 1 . 2]" 1
614 1 27 ILE MG 1 28 THR HA . . 4.160 3.868 3.637 4.036 . 0 0 "[ . 1 . 2]" 1
615 1 27 ILE MG 1 29 TRP HB3 . . 4.410 3.855 3.647 4.054 . 0 0 "[ . 1 . 2]" 1
616 1 27 ILE MG 1 29 TRP HE3 . . 2.930 2.266 2.020 2.523 . 0 0 "[ . 1 . 2]" 1
617 1 27 ILE MG 1 29 TRP HZ3 . . 3.410 2.246 1.994 2.734 . 0 0 "[ . 1 . 2]" 1
618 1 27 ILE MG 1 48 VAL MG1 . . 3.750 3.046 2.740 3.323 . 0 0 "[ . 1 . 2]" 1
619 1 27 ILE MG 1 70 TYR H . . 4.860 4.008 3.600 4.364 . 0 0 "[ . 1 . 2]" 1
620 1 27 ILE MG 1 83 PHE HB2 . . 4.320 3.650 2.869 4.275 . 0 0 "[ . 1 . 2]" 1
621 1 27 ILE MG 1 83 PHE HB3 . . 4.190 2.865 2.568 3.477 . 0 0 "[ . 1 . 2]" 1
622 1 27 ILE MG 1 83 PHE QD . . 4.310 4.133 3.852 4.304 . 0 0 "[ . 1 . 2]" 1
623 1 27 ILE MG 1 85 VAL MG1 . . 4.320 4.136 3.698 4.314 . 0 0 "[ . 1 . 2]" 1
624 1 27 ILE MG 1 85 VAL MG2 . . 3.370 2.510 2.194 2.720 . 0 0 "[ . 1 . 2]" 1
625 1 28 THR H 1 28 THR HB . . 4.190 3.732 3.665 3.858 . 0 0 "[ . 1 . 2]" 1
626 1 28 THR H 1 28 THR MG . . 3.790 2.916 2.676 3.481 . 0 0 "[ . 1 . 2]" 1
627 1 28 THR H 1 29 TRP H . . 4.770 4.460 4.326 4.532 . 0 0 "[ . 1 . 2]" 1
628 1 28 THR H 1 29 TRP HE3 . . 4.300 4.130 3.920 4.283 . 0 0 "[ . 1 . 2]" 1
629 1 28 THR H 1 29 TRP HZ3 . . 5.390 5.216 5.031 5.392 0.002 4 0 "[ . 1 . 2]" 1
630 1 28 THR HA 1 28 THR MG . . 3.210 2.279 2.016 2.449 . 0 0 "[ . 1 . 2]" 1
631 1 28 THR HA 1 29 TRP H . . 2.870 2.216 2.159 2.327 . 0 0 "[ . 1 . 2]" 1
632 1 28 THR HA 1 29 TRP HE3 . . 4.130 3.234 3.049 3.449 . 0 0 "[ . 1 . 2]" 1
633 1 28 THR HA 1 29 TRP HZ3 . . 4.910 4.137 3.852 4.403 . 0 0 "[ . 1 . 2]" 1
634 1 28 THR HB 1 29 TRP H . . 3.210 2.951 2.575 3.210 . 0 0 "[ . 1 . 2]" 1
635 1 28 THR MG 1 29 TRP H . . 4.060 3.770 3.476 4.037 . 0 0 "[ . 1 . 2]" 1
636 1 28 THR MG 1 29 TRP HZ3 . . 5.500 5.249 4.943 5.478 . 0 0 "[ . 1 . 2]" 1
637 1 28 THR MG 1 69 SER HA . . 3.680 3.161 2.720 3.574 . 0 0 "[ . 1 . 2]" 1
638 1 28 THR MG 1 69 SER HB2 . . 3.440 2.482 1.971 3.370 . 0 0 "[ . 1 . 2]" 1
639 1 28 THR MG 1 69 SER HB3 . . 3.440 2.642 1.961 3.446 0.006 17 0 "[ . 1 . 2]" 1
640 1 28 THR MG 1 70 TYR H . . 4.440 3.560 3.116 3.969 . 0 0 "[ . 1 . 2]" 1
641 1 29 TRP H 1 29 TRP HZ3 . . 5.280 4.904 4.766 5.184 . 0 0 "[ . 1 . 2]" 1
642 1 29 TRP H 1 30 ALA H . . 4.810 4.398 4.364 4.430 . 0 0 "[ . 1 . 2]" 1
643 1 29 TRP H 1 68 LEU HA . . 4.760 4.385 4.099 4.725 . 0 0 "[ . 1 . 2]" 1
644 1 29 TRP H 1 68 LEU HB3 . . 4.470 3.921 3.540 4.274 . 0 0 "[ . 1 . 2]" 1
645 1 29 TRP H 1 68 LEU MD2 . . 4.910 4.121 3.464 4.577 . 0 0 "[ . 1 . 2]" 1
646 1 29 TRP HA 1 30 ALA H . . 3.170 2.571 2.495 2.637 . 0 0 "[ . 1 . 2]" 1
647 1 29 TRP HB2 1 29 TRP HD1 . . 3.840 2.681 2.658 2.711 . 0 0 "[ . 1 . 2]" 1
648 1 29 TRP HB2 1 30 ALA H . . 3.120 2.114 1.983 2.284 . 0 0 "[ . 1 . 2]" 1
649 1 29 TRP HB2 1 30 ALA HA . . 5.260 4.443 4.356 4.605 . 0 0 "[ . 1 . 2]" 1
650 1 29 TRP HB2 1 30 ALA MB . . 4.340 4.300 4.228 4.342 0.002 4 0 "[ . 1 . 2]" 1
651 1 29 TRP HB2 1 85 VAL MG2 . . 4.500 4.034 3.779 4.321 . 0 0 "[ . 1 . 2]" 1
652 1 29 TRP HB3 1 29 TRP HE3 . . 3.880 2.553 2.516 2.584 . 0 0 "[ . 1 . 2]" 1
653 1 29 TRP HB3 1 30 ALA H . . 3.780 3.586 3.491 3.723 . 0 0 "[ . 1 . 2]" 1
654 1 29 TRP HB3 1 85 VAL HB . . 5.500 4.094 3.866 4.349 . 0 0 "[ . 1 . 2]" 1
655 1 29 TRP HB3 1 85 VAL MG1 . . 5.020 4.149 3.856 4.510 . 0 0 "[ . 1 . 2]" 1
656 1 29 TRP HB3 1 85 VAL MG2 . . 4.310 3.031 2.687 3.251 . 0 0 "[ . 1 . 2]" 1
657 1 29 TRP HD1 1 30 ALA H . . 4.170 3.171 2.916 3.427 . 0 0 "[ . 1 . 2]" 1
658 1 29 TRP HD1 1 30 ALA HA . . 4.760 3.554 3.316 3.834 . 0 0 "[ . 1 . 2]" 1
659 1 29 TRP HD1 1 31 ASP QB . . 3.960 3.612 3.246 3.931 . 0 0 "[ . 1 . 2]" 1
660 1 29 TRP HD1 1 46 TYR QE . . 4.760 4.133 3.557 4.469 . 0 0 "[ . 1 . 2]" 1
661 1 29 TRP HD1 1 68 LEU MD2 . . 3.570 2.716 2.484 3.031 . 0 0 "[ . 1 . 2]" 1
662 1 29 TRP HE1 1 31 ASP QB . . 5.290 4.218 3.765 4.619 . 0 0 "[ . 1 . 2]" 1
663 1 29 TRP HE1 1 46 TYR HB2 . . 5.500 4.843 4.401 5.237 . 0 0 "[ . 1 . 2]" 1
664 1 29 TRP HE1 1 46 TYR HB3 . . 5.210 4.539 4.057 5.066 . 0 0 "[ . 1 . 2]" 1
665 1 29 TRP HE1 1 46 TYR QE . . 3.530 3.001 2.275 3.428 . 0 0 "[ . 1 . 2]" 1
666 1 29 TRP HE1 1 68 LEU HA . . 3.630 2.584 2.301 2.816 . 0 0 "[ . 1 . 2]" 1
667 1 29 TRP HE1 1 68 LEU HB2 . . 5.500 5.440 5.148 5.512 0.012 17 0 "[ . 1 . 2]" 1
668 1 29 TRP HE1 1 68 LEU MD1 . . 5.500 5.233 5.016 5.387 . 0 0 "[ . 1 . 2]" 1
669 1 29 TRP HE1 1 68 LEU MD2 . . 3.240 2.840 2.523 3.133 . 0 0 "[ . 1 . 2]" 1
670 1 29 TRP HE1 1 68 LEU HG . . 4.340 4.183 3.764 4.334 . 0 0 "[ . 1 . 2]" 1
671 1 29 TRP HE1 1 85 VAL HB . . 5.500 5.233 4.825 5.511 0.011 17 0 "[ . 1 . 2]" 1
672 1 29 TRP HE1 1 85 VAL MG1 . . 4.140 3.153 2.885 3.456 . 0 0 "[ . 1 . 2]" 1
673 1 29 TRP HE3 1 70 TYR H . . 5.200 4.400 3.813 4.986 . 0 0 "[ . 1 . 2]" 1
674 1 29 TRP HE3 1 85 VAL MG1 . . 4.840 3.804 3.519 4.000 . 0 0 "[ . 1 . 2]" 1
675 1 29 TRP HE3 1 85 VAL MG2 . . 3.830 2.474 2.216 2.675 . 0 0 "[ . 1 . 2]" 1
676 1 29 TRP HH2 1 48 VAL MG2 . . 3.820 2.671 2.451 2.986 . 0 0 "[ . 1 . 2]" 1
677 1 29 TRP HH2 1 65 ALA MB . . 4.050 4.015 3.857 4.057 0.007 6 0 "[ . 1 . 2]" 1
678 1 29 TRP HH2 1 69 SER H . . 4.320 3.811 3.455 4.302 . 0 0 "[ . 1 . 2]" 1
679 1 29 TRP HH2 1 69 SER HA . . 5.180 3.941 3.544 4.292 . 0 0 "[ . 1 . 2]" 1
680 1 29 TRP HH2 1 70 TYR H . . 4.570 3.962 3.080 4.491 . 0 0 "[ . 1 . 2]" 1
681 1 29 TRP HH2 1 70 TYR HB2 . . 3.690 2.102 1.999 2.492 . 0 0 "[ . 1 . 2]" 1
682 1 29 TRP HH2 1 70 TYR HB3 . . 4.090 2.910 2.143 3.569 . 0 0 "[ . 1 . 2]" 1
683 1 29 TRP HH2 1 85 VAL MG1 . . 5.240 3.353 3.072 3.644 . 0 0 "[ . 1 . 2]" 1
684 1 29 TRP HZ2 1 46 TYR HB2 . . 3.660 3.129 2.652 3.466 . 0 0 "[ . 1 . 2]" 1
685 1 29 TRP HZ2 1 46 TYR HB3 . . 4.030 3.055 2.734 3.365 . 0 0 "[ . 1 . 2]" 1
686 1 29 TRP HZ2 1 65 ALA MB . . 4.850 4.789 4.591 4.853 0.003 18 0 "[ . 1 . 2]" 1
687 1 29 TRP HZ2 1 68 LEU HA . . 3.920 3.367 3.023 3.519 . 0 0 "[ . 1 . 2]" 1
688 1 29 TRP HZ2 1 68 LEU MD2 . . 5.090 4.813 4.317 5.048 . 0 0 "[ . 1 . 2]" 1
689 1 29 TRP HZ2 1 69 SER H . . 4.100 3.543 3.141 3.919 . 0 0 "[ . 1 . 2]" 1
690 1 29 TRP HZ3 1 48 VAL MG1 . . 4.450 3.909 3.470 4.212 . 0 0 "[ . 1 . 2]" 1
691 1 29 TRP HZ3 1 48 VAL MG2 . . 3.540 2.816 2.557 3.169 . 0 0 "[ . 1 . 2]" 1
692 1 29 TRP HZ3 1 69 SER HA . . 4.700 3.376 2.885 3.865 . 0 0 "[ . 1 . 2]" 1
693 1 29 TRP HZ3 1 70 TYR H . . 3.960 3.022 2.237 3.645 . 0 0 "[ . 1 . 2]" 1
694 1 29 TRP HZ3 1 70 TYR HB2 . . 4.200 2.993 2.250 3.638 . 0 0 "[ . 1 . 2]" 1
695 1 29 TRP HZ3 1 70 TYR HB3 . . 3.940 2.292 1.997 2.681 . 0 0 "[ . 1 . 2]" 1
696 1 29 TRP HZ3 1 85 VAL MG1 . . 4.810 3.735 3.418 4.033 . 0 0 "[ . 1 . 2]" 1
697 1 29 TRP HZ3 1 85 VAL MG2 . . 4.450 2.902 2.555 3.288 . 0 0 "[ . 1 . 2]" 1
698 1 30 ALA H 1 30 ALA MB . . 3.190 2.510 2.361 2.670 . 0 0 "[ . 1 . 2]" 1
699 1 30 ALA H 1 31 ASP H . . 4.850 4.401 4.282 4.491 . 0 0 "[ . 1 . 2]" 1
700 1 30 ALA HA 1 31 ASP H . . 2.890 2.305 2.162 2.579 . 0 0 "[ . 1 . 2]" 1
701 1 30 ALA HA 1 68 LEU MD1 . . 4.540 3.821 3.083 4.500 . 0 0 "[ . 1 . 2]" 1
702 1 30 ALA HA 1 68 LEU MD2 . . 3.570 2.287 1.865 2.821 . 0 0 "[ . 1 . 2]" 1
703 1 30 ALA MB 1 31 ASP H . . 3.290 2.701 2.147 3.080 . 0 0 "[ . 1 . 2]" 1
704 1 30 ALA MB 1 32 ASN QD . . 5.090 4.450 3.348 5.038 . 0 0 "[ . 1 . 2]" 1
705 1 31 ASP H 1 31 ASP HB2 . . 3.810 3.037 2.635 3.775 . 0 0 "[ . 1 . 2]" 1
706 1 31 ASP H 1 31 ASP QB . . 3.260 2.557 2.333 2.994 . 0 0 "[ . 1 . 2]" 1
707 1 31 ASP H 1 31 ASP HB3 . . 3.810 2.794 2.433 3.167 . 0 0 "[ . 1 . 2]" 1
708 1 31 ASP H 1 32 ASN H . . 4.650 4.073 3.664 4.511 . 0 0 "[ . 1 . 2]" 1
709 1 31 ASP H 1 38 GLN QE . . 4.210 3.383 1.855 4.088 . 0 0 "[ . 1 . 2]" 1
710 1 31 ASP H 1 68 LEU MD1 . . 4.140 3.773 2.957 4.146 0.006 17 0 "[ . 1 . 2]" 1
711 1 31 ASP H 1 68 LEU MD2 . . 3.780 2.445 1.879 3.073 . 0 0 "[ . 1 . 2]" 1
712 1 31 ASP HA 1 32 ASN H . . 2.860 2.216 2.139 2.362 . 0 0 "[ . 1 . 2]" 1
713 1 31 ASP HA 1 33 SER H . . 4.060 3.635 3.279 3.951 . 0 0 "[ . 1 . 2]" 1
714 1 31 ASP QB 1 33 SER H . . 5.050 3.916 2.688 4.576 . 0 0 "[ . 1 . 2]" 1
715 1 31 ASP QB 1 34 LEU H . . 4.100 3.214 2.569 4.013 . 0 0 "[ . 1 . 2]" 1
716 1 31 ASP QB 1 34 LEU MD1 . . 3.430 2.338 1.881 3.427 . 0 0 "[ . 1 . 2]" 1
717 1 31 ASP QB 1 34 LEU MD2 . . 4.650 3.915 3.418 4.363 . 0 0 "[ . 1 . 2]" 1
718 1 31 ASP QB 1 34 LEU HG . . 3.810 2.637 2.022 3.447 . 0 0 "[ . 1 . 2]" 1
719 1 31 ASP QB 1 46 TYR QE . . 4.220 3.771 3.357 4.229 0.009 17 0 "[ . 1 . 2]" 1
720 1 31 ASP QB 1 46 TYR HH . . 3.850 2.858 2.371 3.459 . 0 0 "[ . 1 . 2]" 1
721 1 31 ASP QB 1 68 LEU MD1 . . 4.460 3.868 3.508 4.462 0.002 11 0 "[ . 1 . 2]" 1
722 1 31 ASP HB2 1 34 LEU MD1 . . 4.130 3.342 2.789 3.927 . 0 0 "[ . 1 . 2]" 1
723 1 31 ASP HB2 1 34 LEU HG . . 4.530 3.904 2.976 4.519 . 0 0 "[ . 1 . 2]" 1
724 1 31 ASP HB2 1 46 TYR HH . . 4.460 3.028 2.420 3.786 . 0 0 "[ . 1 . 2]" 1
725 1 31 ASP HB2 1 68 LEU MD2 . . 3.540 2.687 2.023 3.532 . 0 0 "[ . 1 . 2]" 1
726 1 31 ASP HB3 1 34 LEU MD1 . . 4.130 2.427 1.911 4.098 . 0 0 "[ . 1 . 2]" 1
727 1 31 ASP HB3 1 34 LEU HG . . 4.530 2.797 2.031 4.277 . 0 0 "[ . 1 . 2]" 1
728 1 31 ASP HB3 1 46 TYR HH . . 4.460 3.680 2.583 4.317 . 0 0 "[ . 1 . 2]" 1
729 1 31 ASP HB3 1 68 LEU MD2 . . 3.540 2.829 2.048 3.419 . 0 0 "[ . 1 . 2]" 1
730 1 32 ASN H 1 32 ASN HB2 . . 3.790 2.799 2.200 3.606 . 0 0 "[ . 1 . 2]" 1
731 1 32 ASN H 1 32 ASN QB . . 3.120 2.539 2.178 2.905 . 0 0 "[ . 1 . 2]" 1
732 1 32 ASN H 1 32 ASN HB3 . . 3.790 3.396 2.640 3.687 . 0 0 "[ . 1 . 2]" 1
733 1 32 ASN H 1 32 ASN QD . . 4.810 3.055 1.800 4.147 . 0 0 "[ . 1 . 2]" 1
734 1 32 ASN H 1 33 SER H . . 3.350 2.611 2.165 3.026 . 0 0 "[ . 1 . 2]" 1
735 1 32 ASN H 1 34 LEU H . . 4.720 4.474 4.183 4.714 . 0 0 "[ . 1 . 2]" 1
736 1 32 ASN QB 1 32 ASN QD . . 3.010 2.156 2.063 2.461 . 0 0 "[ . 1 . 2]" 1
737 1 32 ASN QB 1 33 SER H . . 4.300 2.993 2.356 3.740 . 0 0 "[ . 1 . 2]" 1
738 1 33 SER H 1 33 SER HB2 . . 3.930 2.521 2.207 3.562 . 0 0 "[ . 1 . 2]" 1
739 1 33 SER H 1 33 SER QB . . 3.300 2.266 2.150 2.622 . 0 0 "[ . 1 . 2]" 1
740 1 33 SER H 1 33 SER HB3 . . 3.930 2.828 2.275 3.605 . 0 0 "[ . 1 . 2]" 1
741 1 33 SER H 1 34 LEU H . . 3.020 2.851 2.310 3.021 0.001 18 0 "[ . 1 . 2]" 1
742 1 33 SER H 1 34 LEU HB2 . . 5.270 4.887 4.189 5.225 . 0 0 "[ . 1 . 2]" 1
743 1 33 SER H 1 34 LEU HG . . 5.200 4.722 3.789 5.128 . 0 0 "[ . 1 . 2]" 1
744 1 33 SER QB 1 34 LEU H . . 3.900 2.568 2.295 3.290 . 0 0 "[ . 1 . 2]" 1
745 1 34 LEU H 1 34 LEU HB2 . . 3.120 2.467 2.298 2.689 . 0 0 "[ . 1 . 2]" 1
746 1 34 LEU H 1 34 LEU MD1 . . 4.680 3.525 3.283 3.928 . 0 0 "[ . 1 . 2]" 1
747 1 34 LEU H 1 34 LEU MD2 . . 3.980 3.451 2.884 3.857 . 0 0 "[ . 1 . 2]" 1
748 1 34 LEU H 1 34 LEU HG . . 3.310 2.321 1.994 2.648 . 0 0 "[ . 1 . 2]" 1
749 1 34 LEU HA 1 34 LEU MD1 . . 4.460 3.863 3.685 3.917 . 0 0 "[ . 1 . 2]" 1
750 1 34 LEU HA 1 34 LEU MD2 . . 3.210 2.135 1.936 2.346 . 0 0 "[ . 1 . 2]" 1
751 1 34 LEU HA 1 34 LEU HG . . 3.950 2.957 2.688 3.290 . 0 0 "[ . 1 . 2]" 1
752 1 34 LEU HA 1 35 PRO HD2 . . 3.540 2.333 2.254 2.416 . 0 0 "[ . 1 . 2]" 1
753 1 34 LEU HA 1 35 PRO HD3 . . 3.430 2.280 2.260 2.306 . 0 0 "[ . 1 . 2]" 1
754 1 34 LEU HB2 1 34 LEU MD1 . . 3.410 2.249 2.032 2.474 . 0 0 "[ . 1 . 2]" 1
755 1 34 LEU HB2 1 35 PRO HD2 . . 4.450 3.743 3.599 3.952 . 0 0 "[ . 1 . 2]" 1
756 1 34 LEU HB2 1 38 GLN HA . . 4.220 3.572 2.835 4.223 0.003 10 0 "[ . 1 . 2]" 1
757 1 34 LEU HB2 1 38 GLN QE . . 3.650 2.631 1.799 3.430 . 0 0 "[ . 1 . 2]" 1
758 1 34 LEU HB2 1 68 LEU MD2 . . 5.500 4.916 4.498 5.370 . 0 0 "[ . 1 . 2]" 1
759 1 34 LEU HB3 1 34 LEU MD1 . . 3.650 2.429 2.206 2.616 . 0 0 "[ . 1 . 2]" 1
760 1 34 LEU HB3 1 34 LEU MD2 . . 3.670 2.298 2.128 2.544 . 0 0 "[ . 1 . 2]" 1
761 1 34 LEU HB3 1 35 PRO HD2 . . 3.730 2.186 2.007 2.487 . 0 0 "[ . 1 . 2]" 1
762 1 34 LEU HB3 1 35 PRO HD3 . . 4.520 3.605 3.451 3.845 . 0 0 "[ . 1 . 2]" 1
763 1 34 LEU HB3 1 38 GLN HA . . 4.230 2.872 2.044 3.754 . 0 0 "[ . 1 . 2]" 1
764 1 34 LEU HB3 1 38 GLN QE . . 4.460 3.407 2.468 4.446 . 0 0 "[ . 1 . 2]" 1
765 1 34 LEU MD1 1 35 PRO HD2 . . 4.320 3.978 3.564 4.188 . 0 0 "[ . 1 . 2]" 1
766 1 34 LEU MD1 1 35 PRO QG . . 5.300 5.090 4.685 5.302 0.002 9 0 "[ . 1 . 2]" 1
767 1 34 LEU MD1 1 38 GLN HA . . 4.010 2.511 2.188 3.091 . 0 0 "[ . 1 . 2]" 1
768 1 34 LEU MD1 1 38 GLN QB . . 5.290 3.177 2.091 4.322 . 0 0 "[ . 1 . 2]" 1
769 1 34 LEU MD1 1 38 GLN QE . . 4.770 2.388 1.820 3.507 . 0 0 "[ . 1 . 2]" 1
770 1 34 LEU MD1 1 38 GLN QG . . 5.340 3.326 2.053 4.496 . 0 0 "[ . 1 . 2]" 1
771 1 34 LEU MD1 1 40 ILE HA . . 4.390 3.612 2.441 4.349 . 0 0 "[ . 1 . 2]" 1
772 1 34 LEU MD1 1 40 ILE HG12 . . 3.460 2.775 2.132 3.407 . 0 0 "[ . 1 . 2]" 1
773 1 34 LEU MD1 1 68 LEU MD2 . . 3.510 2.704 2.038 3.461 . 0 0 "[ . 1 . 2]" 1
774 1 34 LEU MD2 1 35 PRO HD2 . . 3.550 2.332 1.943 2.829 . 0 0 "[ . 1 . 2]" 1
775 1 34 LEU MD2 1 35 PRO HD3 . . 3.840 3.089 2.708 3.377 . 0 0 "[ . 1 . 2]" 1
776 1 34 LEU MD2 1 35 PRO QG . . 4.660 3.805 3.364 4.242 . 0 0 "[ . 1 . 2]" 1
777 1 34 LEU MD2 1 40 ILE HA . . 3.710 2.511 1.980 3.162 . 0 0 "[ . 1 . 2]" 1
778 1 34 LEU MD2 1 40 ILE HG12 . . 4.380 2.897 1.995 3.687 . 0 0 "[ . 1 . 2]" 1
779 1 34 LEU MD2 1 40 ILE HG13 . . 4.300 3.634 2.739 4.296 . 0 0 "[ . 1 . 2]" 1
780 1 34 LEU MD2 1 40 ILE MG . . 4.190 3.476 2.684 3.962 . 0 0 "[ . 1 . 2]" 1
781 1 34 LEU MD2 1 44 ARG QD . . 5.320 4.472 3.531 5.290 . 0 0 "[ . 1 . 2]" 1
782 1 34 LEU MD2 1 44 ARG HE . . 4.670 3.915 3.331 4.669 . 0 0 "[ . 1 . 2]" 1
783 1 35 PRO HA 1 36 LYS HA . . 4.820 4.333 4.314 4.359 . 0 0 "[ . 1 . 2]" 1
784 1 35 PRO HB2 1 36 LYS HA . . 4.700 4.499 4.388 4.592 . 0 0 "[ . 1 . 2]" 1
785 1 35 PRO HD2 1 37 HIS HE1 . . 4.850 4.261 3.231 4.860 0.010 18 0 "[ . 1 . 2]" 1
786 1 35 PRO QG 1 37 HIS HE1 . . 3.900 2.830 2.269 3.420 . 0 0 "[ . 1 . 2]" 1
787 1 36 LYS HA 1 36 LYS QD . . 4.440 3.728 2.188 4.424 . 0 0 "[ . 1 . 2]" 1
788 1 36 LYS HA 1 36 LYS HG2 . . 4.100 3.033 2.214 3.740 . 0 0 "[ . 1 . 2]" 1
789 1 36 LYS HA 1 36 LYS HG3 . . 4.100 2.963 2.186 4.175 0.075 19 0 "[ . 1 . 2]" 1
790 1 36 LYS HA 1 37 HIS HA . . 5.300 4.612 4.327 4.711 . 0 0 "[ . 1 . 2]" 1
791 1 36 LYS QE 1 36 LYS QG . . 3.340 2.265 2.035 2.574 . 0 0 "[ . 1 . 2]" 1
792 1 37 HIS H 1 38 GLN H . . 4.860 4.362 2.859 4.625 . 0 0 "[ . 1 . 2]" 1
793 1 37 HIS QB 1 37 HIS HD2 . . 3.450 2.701 2.625 2.843 . 0 0 "[ . 1 . 2]" 1
794 1 37 HIS HE1 1 39 LYS QB . . 3.530 2.997 2.119 3.474 . 0 0 "[ . 1 . 2]" 1
795 1 37 HIS HE1 1 41 THR MG . . 4.480 3.678 2.402 4.391 . 0 0 "[ . 1 . 2]" 1
796 1 38 GLN H 1 38 GLN QB . . 3.690 2.434 2.163 3.207 . 0 0 "[ . 1 . 2]" 1
797 1 38 GLN H 1 38 GLN QE . . 4.670 4.377 3.416 4.654 . 0 0 "[ . 1 . 2]" 1
798 1 38 GLN H 1 38 GLN HG2 . . 4.820 3.233 1.983 4.790 . 0 0 "[ . 1 . 2]" 1
799 1 38 GLN H 1 38 GLN QG . . 4.140 2.967 1.972 4.141 0.001 3 0 "[ . 1 . 2]" 1
800 1 38 GLN H 1 38 GLN HG3 . . 4.820 3.835 2.353 4.604 . 0 0 "[ . 1 . 2]" 1
801 1 38 GLN H 1 39 LYS H . . 5.070 3.766 2.339 4.336 . 0 0 "[ . 1 . 2]" 1
802 1 38 GLN HA 1 38 GLN HE21 . . 4.920 2.928 1.900 4.166 . 0 0 "[ . 1 . 2]" 1
803 1 38 GLN HA 1 38 GLN QE . . 4.180 2.784 1.891 3.670 . 0 0 "[ . 1 . 2]" 1
804 1 38 GLN HA 1 38 GLN HE22 . . 4.920 3.757 2.850 4.945 0.025 15 0 "[ . 1 . 2]" 1
805 1 38 GLN HA 1 38 GLN QG . . 3.660 2.696 2.394 3.132 . 0 0 "[ . 1 . 2]" 1
806 1 38 GLN HA 1 68 LEU MD1 . . 4.620 3.979 3.276 4.510 . 0 0 "[ . 1 . 2]" 1
807 1 38 GLN QB 1 68 LEU MD1 . . 3.680 2.719 2.223 3.507 . 0 0 "[ . 1 . 2]" 1
808 1 38 GLN HB2 1 68 LEU MD1 . . 4.320 3.874 3.202 4.292 . 0 0 "[ . 1 . 2]" 1
809 1 38 GLN HB3 1 68 LEU MD1 . . 4.320 2.795 2.245 3.804 . 0 0 "[ . 1 . 2]" 1
810 1 38 GLN QG 1 68 LEU MD1 . . 4.320 3.186 1.728 4.177 . 0 0 "[ . 1 . 2]" 1
811 1 39 LYS HA 1 39 LYS QD . . 4.410 3.289 1.989 4.175 . 0 0 "[ . 1 . 2]" 1
812 1 39 LYS HA 1 39 LYS HG2 . . 4.120 2.853 2.206 3.761 . 0 0 "[ . 1 . 2]" 1
813 1 39 LYS HA 1 39 LYS QG . . 3.570 2.444 2.167 2.847 . 0 0 "[ . 1 . 2]" 1
814 1 39 LYS HA 1 39 LYS HG3 . . 4.120 3.038 2.288 3.789 . 0 0 "[ . 1 . 2]" 1
815 1 39 LYS HA 1 40 ILE H . . 2.870 2.157 2.140 2.234 . 0 0 "[ . 1 . 2]" 1
816 1 39 LYS HA 1 40 ILE HB . . 4.770 4.665 4.547 4.759 . 0 0 "[ . 1 . 2]" 1
817 1 39 LYS HA 1 40 ILE MD . . 5.500 4.997 4.662 5.255 . 0 0 "[ . 1 . 2]" 1
818 1 39 LYS HA 1 40 ILE HG12 . . 5.500 5.134 4.621 5.472 . 0 0 "[ . 1 . 2]" 1
819 1 39 LYS HA 1 68 LEU MD1 . . 5.000 4.465 3.845 5.017 0.017 17 0 "[ . 1 . 2]" 1
820 1 39 LYS QB 1 39 LYS QE . . 4.490 3.107 2.002 3.734 . 0 0 "[ . 1 . 2]" 1
821 1 39 LYS QB 1 40 ILE H . . 4.060 3.607 2.850 3.961 . 0 0 "[ . 1 . 2]" 1
822 1 39 LYS QB 1 41 THR MG . . 3.510 2.981 2.304 3.507 . 0 0 "[ . 1 . 2]" 1
823 1 39 LYS HG2 1 40 ILE H . . 5.500 4.206 3.090 5.037 . 0 0 "[ . 1 . 2]" 1
824 1 39 LYS HG3 1 40 ILE H . . 5.500 4.409 2.754 5.499 . 0 0 "[ . 1 . 2]" 1
825 1 40 ILE H 1 40 ILE HB . . 3.160 2.552 2.436 2.648 . 0 0 "[ . 1 . 2]" 1
826 1 40 ILE H 1 40 ILE MD . . 4.220 3.562 3.214 3.907 . 0 0 "[ . 1 . 2]" 1
827 1 40 ILE H 1 40 ILE HG12 . . 4.140 3.488 3.118 3.853 . 0 0 "[ . 1 . 2]" 1
828 1 40 ILE H 1 40 ILE HG13 . . 3.330 2.204 1.932 2.585 . 0 0 "[ . 1 . 2]" 1
829 1 40 ILE H 1 40 ILE MG . . 4.470 3.776 3.751 3.811 . 0 0 "[ . 1 . 2]" 1
830 1 40 ILE H 1 41 THR MG . . 5.010 4.438 3.552 5.011 0.001 12 0 "[ . 1 . 2]" 1
831 1 40 ILE H 1 68 LEU MD1 . . 4.760 4.326 3.536 4.750 . 0 0 "[ . 1 . 2]" 1
832 1 40 ILE HA 1 40 ILE MD . . 4.170 3.852 3.751 3.941 . 0 0 "[ . 1 . 2]" 1
833 1 40 ILE HA 1 40 ILE HG12 . . 3.710 2.609 2.437 2.842 . 0 0 "[ . 1 . 2]" 1
834 1 40 ILE HA 1 40 ILE HG13 . . 3.790 3.000 2.773 3.268 . 0 0 "[ . 1 . 2]" 1
835 1 40 ILE HA 1 40 ILE MG . . 3.280 2.343 2.197 2.458 . 0 0 "[ . 1 . 2]" 1
836 1 40 ILE HA 1 42 ASP H . . 4.550 3.885 3.116 4.504 . 0 0 "[ . 1 . 2]" 1
837 1 40 ILE HA 1 44 ARG HE . . 4.370 3.872 2.961 4.372 0.002 6 0 "[ . 1 . 2]" 1
838 1 40 ILE HB 1 40 ILE MD . . 3.270 2.343 2.159 2.536 . 0 0 "[ . 1 . 2]" 1
839 1 40 ILE MD 1 44 ARG QD . . 4.620 4.234 3.060 4.634 0.014 17 0 "[ . 1 . 2]" 1
840 1 40 ILE MD 1 46 TYR QE . . 3.400 2.399 1.936 3.248 . 0 0 "[ . 1 . 2]" 1
841 1 40 ILE MD 1 67 THR H . . 4.620 3.476 2.816 4.055 . 0 0 "[ . 1 . 2]" 1
842 1 40 ILE MD 1 67 THR HA . . 3.580 2.285 1.950 2.662 . 0 0 "[ . 1 . 2]" 1
843 1 40 ILE MD 1 67 THR HB . . 4.600 4.167 3.816 4.577 . 0 0 "[ . 1 . 2]" 1
844 1 40 ILE MD 1 68 LEU H . . 4.530 3.241 2.741 3.866 . 0 0 "[ . 1 . 2]" 1
845 1 40 ILE MD 1 68 LEU MD1 . . 3.500 3.042 2.515 3.473 . 0 0 "[ . 1 . 2]" 1
846 1 40 ILE MD 1 68 LEU MD2 . . 3.780 3.494 2.970 3.720 . 0 0 "[ . 1 . 2]" 1
847 1 40 ILE HG12 1 68 LEU MD1 . . 3.880 3.751 3.418 3.883 0.003 14 0 "[ . 1 . 2]" 1
848 1 40 ILE HG13 1 40 ILE MG . . 3.730 3.185 3.151 3.203 . 0 0 "[ . 1 . 2]" 1
849 1 40 ILE HG13 1 68 LEU MD1 . . 3.780 3.094 2.770 3.447 . 0 0 "[ . 1 . 2]" 1
850 1 40 ILE HG13 1 68 LEU MD2 . . 5.500 4.612 4.057 4.945 . 0 0 "[ . 1 . 2]" 1
851 1 40 ILE MG 1 41 THR HA . . 4.570 3.932 3.447 4.395 . 0 0 "[ . 1 . 2]" 1
852 1 40 ILE MG 1 42 ASP H . . 3.250 2.450 1.899 3.088 . 0 0 "[ . 1 . 2]" 1
853 1 40 ILE MG 1 44 ARG H . . 4.150 3.640 2.928 4.091 . 0 0 "[ . 1 . 2]" 1
854 1 40 ILE MG 1 44 ARG HD2 . . 4.570 3.476 2.158 4.434 . 0 0 "[ . 1 . 2]" 1
855 1 40 ILE MG 1 44 ARG QD . . 3.850 3.149 2.109 3.839 . 0 0 "[ . 1 . 2]" 1
856 1 40 ILE MG 1 44 ARG HD3 . . 4.570 3.892 2.230 4.558 . 0 0 "[ . 1 . 2]" 1
857 1 40 ILE MG 1 44 ARG HE . . 4.460 2.212 1.819 3.156 . 0 0 "[ . 1 . 2]" 1
858 1 40 ILE MG 1 44 ARG QG . . 3.900 2.711 1.825 3.727 . 0 0 "[ . 1 . 2]" 1
859 1 41 THR HA 1 41 THR MG . . 3.210 2.493 2.168 3.200 . 0 0 "[ . 1 . 2]" 1
860 1 41 THR MG 1 42 ASP H . . 5.210 4.243 3.839 4.414 . 0 0 "[ . 1 . 2]" 1
861 1 42 ASP H 1 42 ASP QB . . 3.680 2.766 2.301 3.366 . 0 0 "[ . 1 . 2]" 1
862 1 42 ASP H 1 44 ARG HE . . 5.040 4.216 3.177 5.007 . 0 0 "[ . 1 . 2]" 1
863 1 43 SER QB 1 44 ARG H . . 4.270 3.703 2.119 4.050 . 0 0 "[ . 1 . 2]" 1
864 1 43 SER HB2 1 44 ARG H . . 4.980 4.300 2.804 4.661 . 0 0 "[ . 1 . 2]" 1
865 1 43 SER HB3 1 44 ARG H . . 4.980 4.119 2.133 4.462 . 0 0 "[ . 1 . 2]" 1
866 1 44 ARG H 1 44 ARG HB2 . . 3.860 3.758 3.606 3.860 . 12 0 "[ . 1 . 2]" 1
867 1 44 ARG H 1 44 ARG QB . . 3.290 2.927 2.393 3.262 . 0 0 "[ . 1 . 2]" 1
868 1 44 ARG H 1 44 ARG HB3 . . 3.860 3.066 2.429 3.540 . 0 0 "[ . 1 . 2]" 1
869 1 44 ARG H 1 44 ARG QD . . 4.860 3.844 1.871 4.560 . 0 0 "[ . 1 . 2]" 1
870 1 44 ARG H 1 44 ARG HE . . 4.500 3.982 1.796 4.505 0.005 20 0 "[ . 1 . 2]" 1
871 1 44 ARG H 1 44 ARG HG2 . . 3.750 2.624 1.963 3.698 . 0 0 "[ . 1 . 2]" 1
872 1 44 ARG H 1 44 ARG QG . . 3.270 2.239 1.945 3.315 0.045 4 0 "[ . 1 . 2]" 1
873 1 44 ARG H 1 44 ARG HG3 . . 3.750 2.976 1.953 3.762 0.012 18 0 "[ . 1 . 2]" 1
874 1 44 ARG H 1 45 TYR H . . 4.720 4.467 4.244 4.575 . 0 0 "[ . 1 . 2]" 1
875 1 44 ARG QB 1 45 TYR H . . 3.290 2.452 2.014 3.156 . 0 0 "[ . 1 . 2]" 1
876 1 44 ARG QB 1 87 VAL MG1 . . 5.340 4.860 4.450 5.253 . 0 0 "[ . 1 . 2]" 1
877 1 44 ARG QB 1 87 VAL MG2 . . 3.670 2.611 2.171 3.006 . 0 0 "[ . 1 . 2]" 1
878 1 44 ARG QB 1 88 THR H . . 4.700 3.572 2.979 3.979 . 0 0 "[ . 1 . 2]" 1
879 1 44 ARG QB 1 89 LYS HA . . 4.600 3.446 2.634 4.429 . 0 0 "[ . 1 . 2]" 1
880 1 44 ARG QB 1 89 LYS QB . . 4.280 3.575 2.247 4.275 . 0 0 "[ . 1 . 2]" 1
881 1 44 ARG HB2 1 44 ARG HE . . 4.920 4.424 3.839 5.055 0.135 18 0 "[ . 1 . 2]" 1
882 1 44 ARG HB2 1 89 LYS HA . . 5.240 4.039 2.983 5.123 . 0 0 "[ . 1 . 2]" 1
883 1 44 ARG HB3 1 44 ARG HE . . 4.920 4.036 2.778 5.095 0.175 20 0 "[ . 1 . 2]" 1
884 1 44 ARG HB3 1 89 LYS HA . . 5.240 3.813 2.700 5.191 . 0 0 "[ . 1 . 2]" 1
885 1 44 ARG QD 1 46 TYR QE . . 4.550 3.525 2.323 4.335 . 0 0 "[ . 1 . 2]" 1
886 1 44 ARG QD 1 46 TYR HH . . 4.580 3.553 2.563 4.543 . 0 0 "[ . 1 . 2]" 1
887 1 44 ARG QD 1 87 VAL MG2 . . 3.500 2.424 1.903 3.401 . 0 0 "[ . 1 . 2]" 1
888 1 44 ARG HD2 1 87 VAL MG2 . . 4.270 2.835 1.967 4.195 . 0 0 "[ . 1 . 2]" 1
889 1 44 ARG HD3 1 87 VAL MG2 . . 4.270 2.926 1.947 4.220 . 0 0 "[ . 1 . 2]" 1
890 1 44 ARG QG 1 45 TYR H . . 4.510 3.648 2.691 4.146 . 0 0 "[ . 1 . 2]" 1
891 1 45 TYR H 1 45 TYR QD . . 3.730 2.385 1.910 2.888 . 0 0 "[ . 1 . 2]" 1
892 1 45 TYR H 1 45 TYR QE . . 4.890 4.159 3.791 4.504 . 0 0 "[ . 1 . 2]" 1
893 1 45 TYR H 1 46 TYR H . . 4.690 4.369 4.207 4.487 . 0 0 "[ . 1 . 2]" 1
894 1 45 TYR H 1 87 VAL MG2 . . 3.970 3.682 2.966 3.938 . 0 0 "[ . 1 . 2]" 1
895 1 45 TYR H 1 88 THR H . . 3.700 3.339 2.791 3.609 . 0 0 "[ . 1 . 2]" 1
896 1 45 TYR H 1 88 THR HB . . 4.630 4.075 3.178 4.608 . 0 0 "[ . 1 . 2]" 1
897 1 45 TYR H 1 89 LYS HA . . 4.910 4.530 3.754 4.874 . 0 0 "[ . 1 . 2]" 1
898 1 45 TYR QB 1 46 TYR H . . 3.900 2.869 2.309 3.314 . 0 0 "[ . 1 . 2]" 1
899 1 45 TYR QB 1 66 THR MG . . 3.380 2.369 1.822 2.940 . 0 0 "[ . 1 . 2]" 1
900 1 45 TYR HB2 1 46 TYR H . . 4.500 2.933 2.331 3.425 . 0 0 "[ . 1 . 2]" 1
901 1 45 TYR HB3 1 46 TYR H . . 4.500 4.102 3.751 4.413 . 0 0 "[ . 1 . 2]" 1
902 1 45 TYR QD 1 46 TYR H . . 4.070 3.763 2.914 4.070 . 0 0 "[ . 1 . 2]" 1
903 1 45 TYR QD 1 64 ASN QB . . 4.090 3.772 3.014 4.088 . 0 0 "[ . 1 . 2]" 1
904 1 45 TYR QD 1 65 ALA H . . 4.690 4.223 3.650 4.616 . 0 0 "[ . 1 . 2]" 1
905 1 45 TYR QD 1 66 THR MG . . 4.580 4.072 3.321 4.534 . 0 0 "[ . 1 . 2]" 1
906 1 45 TYR QD 1 88 THR H . . 5.030 4.411 3.836 4.868 . 0 0 "[ . 1 . 2]" 1
907 1 45 TYR QD 1 88 THR HB . . 4.740 3.640 3.159 4.169 . 0 0 "[ . 1 . 2]" 1
908 1 45 TYR QD 1 88 THR MG . . 4.770 3.999 3.474 4.641 . 0 0 "[ . 1 . 2]" 1
909 1 45 TYR QE 1 88 THR HB . . 4.350 2.620 2.041 3.328 . 0 0 "[ . 1 . 2]" 1
910 1 45 TYR QE 1 88 THR MG . . 3.630 2.320 1.969 3.244 . 0 0 "[ . 1 . 2]" 1
911 1 46 TYR H 1 46 TYR HB2 . . 3.360 2.346 2.262 2.582 . 0 0 "[ . 1 . 2]" 1
912 1 46 TYR H 1 46 TYR QD . . 3.850 3.103 2.311 3.661 . 0 0 "[ . 1 . 2]" 1
913 1 46 TYR H 1 47 THR H . . 5.000 4.519 4.393 4.580 . 0 0 "[ . 1 . 2]" 1
914 1 46 TYR H 1 65 ALA H . . 3.920 3.701 3.508 3.922 0.002 12 0 "[ . 1 . 2]" 1
915 1 46 TYR H 1 65 ALA MB . . 5.020 4.905 4.631 5.010 . 0 0 "[ . 1 . 2]" 1
916 1 46 TYR H 1 66 THR MG . . 4.580 2.972 2.666 3.248 . 0 0 "[ . 1 . 2]" 1
917 1 46 TYR HA 1 47 THR H . . 2.940 2.228 2.150 2.354 . 0 0 "[ . 1 . 2]" 1
918 1 46 TYR HA 1 85 VAL MG1 . . 4.570 3.985 3.732 4.363 . 0 0 "[ . 1 . 2]" 1
919 1 46 TYR HA 1 87 VAL MG2 . . 4.470 4.052 3.447 4.438 . 0 0 "[ . 1 . 2]" 1
920 1 46 TYR HA 1 88 THR H . . 4.210 3.955 3.651 4.212 0.002 12 0 "[ . 1 . 2]" 1
921 1 46 TYR HB2 1 47 THR H . . 4.440 4.140 3.889 4.387 . 0 0 "[ . 1 . 2]" 1
922 1 46 TYR HB2 1 48 VAL MG2 . . 4.930 4.334 4.116 4.530 . 0 0 "[ . 1 . 2]" 1
923 1 46 TYR HB2 1 65 ALA H . . 4.330 4.051 3.630 4.330 0.000 8 0 "[ . 1 . 2]" 1
924 1 46 TYR HB2 1 65 ALA MB . . 4.260 4.202 4.080 4.264 0.004 19 0 "[ . 1 . 2]" 1
925 1 46 TYR HB2 1 85 VAL MG1 . . 4.170 3.998 3.783 4.175 0.005 14 0 "[ . 1 . 2]" 1
926 1 46 TYR HB3 1 47 THR H . . 3.650 2.979 2.577 3.365 . 0 0 "[ . 1 . 2]" 1
927 1 46 TYR HB3 1 65 ALA MB . . 5.040 4.915 4.630 5.034 . 0 0 "[ . 1 . 2]" 1
928 1 46 TYR HB3 1 85 VAL MG1 . . 3.510 2.686 2.476 2.928 . 0 0 "[ . 1 . 2]" 1
929 1 46 TYR HB3 1 85 VAL MG2 . . 5.110 4.744 4.467 4.931 . 0 0 "[ . 1 . 2]" 1
930 1 46 TYR QD 1 85 VAL MG1 . . 4.360 2.322 1.969 2.769 . 0 0 "[ . 1 . 2]" 1
931 1 46 TYR QD 1 87 VAL HB . . 4.460 3.330 2.688 3.795 . 0 0 "[ . 1 . 2]" 1
932 1 46 TYR QD 1 87 VAL MG2 . . 4.880 3.960 3.629 4.187 . 0 0 "[ . 1 . 2]" 1
933 1 46 TYR QE 1 67 THR H . . 4.650 4.034 3.614 4.435 . 0 0 "[ . 1 . 2]" 1
934 1 46 TYR QE 1 68 LEU HA . . 4.760 4.163 3.036 4.760 . 0 0 "[ . 1 . 2]" 1
935 1 46 TYR QE 1 68 LEU MD2 . . 3.900 3.539 2.793 3.899 . 0 0 "[ . 1 . 2]" 1
936 1 46 TYR QE 1 68 LEU HG . . 4.600 3.904 3.344 4.489 . 0 0 "[ . 1 . 2]" 1
937 1 46 TYR QE 1 87 VAL HB . . 3.790 2.334 1.993 2.910 . 0 0 "[ . 1 . 2]" 1
938 1 46 TYR QE 1 87 VAL MG1 . . 4.180 3.532 2.630 3.972 . 0 0 "[ . 1 . 2]" 1
939 1 46 TYR QE 1 87 VAL MG2 . . 3.590 3.388 3.130 3.591 0.001 6 0 "[ . 1 . 2]" 1
940 1 46 TYR HH 1 68 LEU MD2 . . 4.390 3.569 2.600 4.368 . 0 0 "[ . 1 . 2]" 1
941 1 46 TYR HH 1 87 VAL MG2 . . 4.770 3.674 2.663 4.356 . 0 0 "[ . 1 . 2]" 1
942 1 47 THR H 1 47 THR HB . . 3.510 2.712 2.530 2.895 . 0 0 "[ . 1 . 2]" 1
943 1 47 THR H 1 47 THR MG . . 4.730 3.883 3.774 3.964 . 0 0 "[ . 1 . 2]" 1
944 1 47 THR H 1 48 VAL H . . 4.700 4.153 3.887 4.324 . 0 0 "[ . 1 . 2]" 1
945 1 47 THR H 1 85 VAL HA . . 4.800 4.410 4.019 4.729 . 0 0 "[ . 1 . 2]" 1
946 1 47 THR H 1 85 VAL MG1 . . 3.940 3.443 2.845 3.785 . 0 0 "[ . 1 . 2]" 1
947 1 47 THR H 1 86 MET H . . 3.560 2.846 2.536 3.144 . 0 0 "[ . 1 . 2]" 1
948 1 47 THR H 1 86 MET HG2 . . 4.400 3.779 3.134 4.409 0.009 17 0 "[ . 1 . 2]" 1
949 1 47 THR H 1 86 MET HG3 . . 3.970 2.963 2.433 3.706 . 0 0 "[ . 1 . 2]" 1
950 1 47 THR HA 1 47 THR MG . . 3.310 2.323 2.197 2.438 . 0 0 "[ . 1 . 2]" 1
951 1 47 THR HA 1 48 VAL H . . 2.930 2.156 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
952 1 47 THR HA 1 48 VAL MG2 . . 4.690 3.832 3.627 3.972 . 0 0 "[ . 1 . 2]" 1
953 1 47 THR HA 1 63 ALA H . . 4.460 3.822 3.392 4.455 . 0 0 "[ . 1 . 2]" 1
954 1 47 THR HA 1 64 ASN HA . . 3.590 3.308 2.930 3.569 . 0 0 "[ . 1 . 2]" 1
955 1 47 THR HA 1 65 ALA H . . 4.220 3.895 3.563 4.229 0.009 17 0 "[ . 1 . 2]" 1
956 1 47 THR HB 1 48 VAL H . . 4.900 4.315 4.113 4.458 . 0 0 "[ . 1 . 2]" 1
957 1 47 THR HB 1 86 MET H . . 4.310 3.926 3.560 4.204 . 0 0 "[ . 1 . 2]" 1
958 1 47 THR HB 1 86 MET HG2 . . 3.550 2.595 2.122 3.429 . 0 0 "[ . 1 . 2]" 1
959 1 47 THR HB 1 86 MET HG3 . . 3.570 2.469 2.002 2.992 . 0 0 "[ . 1 . 2]" 1
960 1 47 THR HB 1 96 TRP HH2 . . 4.430 3.135 2.490 3.909 . 0 0 "[ . 1 . 2]" 1
961 1 47 THR HB 1 96 TRP HZ3 . . 4.880 3.790 3.027 4.625 . 0 0 "[ . 1 . 2]" 1
962 1 47 THR MG 1 48 VAL H . . 3.460 2.895 2.433 3.289 . 0 0 "[ . 1 . 2]" 1
963 1 47 THR MG 1 62 ASN HA . . 4.450 3.442 3.021 3.994 . 0 0 "[ . 1 . 2]" 1
964 1 47 THR MG 1 62 ASN QB . . 3.230 2.162 1.975 2.536 . 0 0 "[ . 1 . 2]" 1
965 1 47 THR MG 1 62 ASN HD21 . . 5.480 4.532 3.206 4.995 . 0 0 "[ . 1 . 2]" 1
966 1 47 THR MG 1 62 ASN QD . . 4.720 4.217 3.135 4.608 . 0 0 "[ . 1 . 2]" 1
967 1 47 THR MG 1 62 ASN HD22 . . 5.480 5.075 4.425 5.467 . 0 0 "[ . 1 . 2]" 1
968 1 47 THR MG 1 63 ALA H . . 3.520 2.698 2.224 3.136 . 0 0 "[ . 1 . 2]" 1
969 1 47 THR MG 1 64 ASN HA . . 4.510 4.120 3.620 4.511 0.001 17 0 "[ . 1 . 2]" 1
970 1 47 THR MG 1 96 TRP HH2 . . 3.320 2.280 1.988 2.563 . 0 0 "[ . 1 . 2]" 1
971 1 47 THR MG 1 96 TRP HZ2 . . 4.390 3.957 3.397 4.332 . 0 0 "[ . 1 . 2]" 1
972 1 47 THR MG 1 96 TRP HZ3 . . 3.940 3.639 3.315 3.939 . 0 0 "[ . 1 . 2]" 1
973 1 48 VAL H 1 48 VAL HB . . 3.430 2.544 2.478 2.642 . 0 0 "[ . 1 . 2]" 1
974 1 48 VAL H 1 48 VAL MG1 . . 4.160 3.807 3.780 3.852 . 0 0 "[ . 1 . 2]" 1
975 1 48 VAL H 1 48 VAL MG2 . . 3.560 2.593 2.387 2.872 . 0 0 "[ . 1 . 2]" 1
976 1 48 VAL H 1 50 TRP HE3 . . 5.500 5.394 5.197 5.496 . 0 0 "[ . 1 . 2]" 1
977 1 48 VAL H 1 50 TRP HZ3 . . 5.240 4.451 4.250 4.680 . 0 0 "[ . 1 . 2]" 1
978 1 48 VAL H 1 62 ASN QB . . 4.920 4.528 3.819 4.871 . 0 0 "[ . 1 . 2]" 1
979 1 48 VAL H 1 63 ALA H . . 3.510 2.888 2.419 3.254 . 0 0 "[ . 1 . 2]" 1
980 1 48 VAL H 1 64 ASN H . . 5.480 5.201 4.804 5.467 . 0 0 "[ . 1 . 2]" 1
981 1 48 VAL H 1 64 ASN HA . . 4.500 4.349 4.004 4.503 0.003 14 0 "[ . 1 . 2]" 1
982 1 48 VAL H 1 70 TYR QD . . 4.920 4.687 4.315 4.931 0.011 17 0 "[ . 1 . 2]" 1
983 1 48 VAL H 1 70 TYR QE . . 5.470 4.683 3.630 5.181 . 0 0 "[ . 1 . 2]" 1
984 1 48 VAL H 1 85 VAL MG2 . . 5.500 5.331 5.087 5.502 0.002 14 0 "[ . 1 . 2]" 1
985 1 48 VAL H 1 86 MET H . . 5.500 5.112 4.839 5.421 . 0 0 "[ . 1 . 2]" 1
986 1 48 VAL HB 1 49 ARG H . . 4.970 4.224 3.968 4.376 . 0 0 "[ . 1 . 2]" 1
987 1 48 VAL HB 1 50 TRP HE3 . . 4.800 3.940 3.772 4.111 . 0 0 "[ . 1 . 2]" 1
988 1 48 VAL HB 1 50 TRP HZ3 . . 3.920 3.540 3.094 3.850 . 0 0 "[ . 1 . 2]" 1
989 1 48 VAL HB 1 63 ALA H . . 4.120 3.866 3.434 4.114 . 0 0 "[ . 1 . 2]" 1
990 1 48 VAL HB 1 72 VAL MG2 . . 4.900 4.373 3.870 4.660 . 0 0 "[ . 1 . 2]" 1
991 1 48 VAL HB 1 85 VAL MG2 . . 4.770 4.638 4.188 4.771 0.001 3 0 "[ . 1 . 2]" 1
992 1 48 VAL MG1 1 49 ARG H . . 3.420 2.578 2.142 2.804 . 0 0 "[ . 1 . 2]" 1
993 1 48 VAL MG1 1 49 ARG HA . . 4.480 3.772 3.456 3.962 . 0 0 "[ . 1 . 2]" 1
994 1 48 VAL MG1 1 50 TRP H . . 5.430 4.711 4.393 4.934 . 0 0 "[ . 1 . 2]" 1
995 1 48 VAL MG1 1 50 TRP QB . . 4.540 3.478 3.225 3.710 . 0 0 "[ . 1 . 2]" 1
996 1 48 VAL MG1 1 50 TRP HE3 . . 3.300 2.755 2.451 3.036 . 0 0 "[ . 1 . 2]" 1
997 1 48 VAL MG1 1 50 TRP HZ3 . . 4.290 3.727 3.270 4.040 . 0 0 "[ . 1 . 2]" 1
998 1 48 VAL MG1 1 63 ALA H . . 5.160 4.642 4.339 4.918 . 0 0 "[ . 1 . 2]" 1
999 1 48 VAL MG1 1 70 TYR HB3 . . 4.200 3.587 2.975 4.144 . 0 0 "[ . 1 . 2]" 1
1000 1 48 VAL MG1 1 70 TYR QD . . 4.240 2.885 1.950 4.204 . 0 0 "[ . 1 . 2]" 1
1001 1 48 VAL MG1 1 70 TYR QE . . 4.840 3.318 2.179 4.836 . 0 0 "[ . 1 . 2]" 1
1002 1 48 VAL MG1 1 72 VAL MG2 . . 3.840 2.918 2.189 3.195 . 0 0 "[ . 1 . 2]" 1
1003 1 48 VAL MG1 1 83 PHE HB3 . . 4.120 3.377 2.664 3.922 . 0 0 "[ . 1 . 2]" 1
1004 1 48 VAL MG1 1 83 PHE QD . . 3.680 3.242 2.786 3.635 . 0 0 "[ . 1 . 2]" 1
1005 1 48 VAL MG1 1 84 SER H . . 4.260 2.801 2.492 3.197 . 0 0 "[ . 1 . 2]" 1
1006 1 48 VAL MG1 1 85 VAL H . . 5.500 4.835 4.369 5.180 . 0 0 "[ . 1 . 2]" 1
1007 1 48 VAL MG1 1 85 VAL HA . . 4.620 3.752 3.422 4.069 . 0 0 "[ . 1 . 2]" 1
1008 1 48 VAL MG1 1 85 VAL MG1 . . 4.380 3.967 3.515 4.294 . 0 0 "[ . 1 . 2]" 1
1009 1 48 VAL MG1 1 85 VAL MG2 . . 3.290 2.757 2.503 3.055 . 0 0 "[ . 1 . 2]" 1
1010 1 48 VAL MG2 1 63 ALA H . . 5.130 4.764 4.451 5.064 . 0 0 "[ . 1 . 2]" 1
1011 1 48 VAL MG2 1 65 ALA MB . . 4.220 3.870 3.303 4.193 . 0 0 "[ . 1 . 2]" 1
1012 1 48 VAL MG2 1 70 TYR H . . 5.500 4.932 4.312 5.503 0.003 17 0 "[ . 1 . 2]" 1
1013 1 48 VAL MG2 1 70 TYR HB2 . . 3.720 2.913 2.335 3.699 . 0 0 "[ . 1 . 2]" 1
1014 1 48 VAL MG2 1 70 TYR HB3 . . 3.600 2.737 2.206 3.265 . 0 0 "[ . 1 . 2]" 1
1015 1 48 VAL MG2 1 70 TYR QD . . 3.880 2.335 1.969 2.760 . 0 0 "[ . 1 . 2]" 1
1016 1 48 VAL MG2 1 70 TYR QE . . 4.300 3.723 3.030 4.044 . 0 0 "[ . 1 . 2]" 1
1017 1 48 VAL MG2 1 85 VAL HA . . 4.780 2.820 2.350 3.326 . 0 0 "[ . 1 . 2]" 1
1018 1 48 VAL MG2 1 85 VAL MG1 . . 3.460 2.242 1.865 2.667 . 0 0 "[ . 1 . 2]" 1
1019 1 48 VAL MG2 1 85 VAL MG2 . . 3.390 2.323 1.881 2.677 . 0 0 "[ . 1 . 2]" 1
1020 1 49 ARG H 1 49 ARG HG2 . . 4.000 2.372 1.950 2.696 . 0 0 "[ . 1 . 2]" 1
1021 1 49 ARG H 1 49 ARG QG . . 3.380 2.287 1.939 2.554 . 0 0 "[ . 1 . 2]" 1
1022 1 49 ARG H 1 49 ARG HG3 . . 4.000 3.274 2.478 3.986 . 0 0 "[ . 1 . 2]" 1
1023 1 49 ARG H 1 50 TRP H . . 5.100 4.521 4.450 4.563 . 0 0 "[ . 1 . 2]" 1
1024 1 49 ARG H 1 50 TRP HE3 . . 5.070 4.064 3.855 4.295 . 0 0 "[ . 1 . 2]" 1
1025 1 49 ARG H 1 84 SER H . . 3.660 3.052 2.687 3.486 . 0 0 "[ . 1 . 2]" 1
1026 1 49 ARG H 1 85 VAL HA . . 4.220 3.945 3.700 4.202 . 0 0 "[ . 1 . 2]" 1
1027 1 49 ARG H 1 85 VAL MG2 . . 5.060 4.552 4.182 4.956 . 0 0 "[ . 1 . 2]" 1
1028 1 49 ARG H 1 86 MET H . . 5.500 5.229 4.973 5.468 . 0 0 "[ . 1 . 2]" 1
1029 1 49 ARG H 1 96 TRP HZ3 . . 3.910 3.118 2.597 3.838 . 0 0 "[ . 1 . 2]" 1
1030 1 49 ARG HA 1 50 TRP H . . 3.010 2.300 2.209 2.386 . 0 0 "[ . 1 . 2]" 1
1031 1 49 ARG HA 1 50 TRP HE3 . . 4.060 2.662 2.387 2.875 . 0 0 "[ . 1 . 2]" 1
1032 1 49 ARG HA 1 50 TRP HZ3 . . 4.870 3.609 3.292 3.989 . 0 0 "[ . 1 . 2]" 1
1033 1 49 ARG HA 1 60 TYR QD . . 5.480 5.037 3.843 5.428 . 0 0 "[ . 1 . 2]" 1
1034 1 49 ARG HA 1 61 LYS H . . 5.170 4.523 3.859 5.115 . 0 0 "[ . 1 . 2]" 1
1035 1 49 ARG HA 1 62 ASN H . . 4.920 4.406 4.013 4.775 . 0 0 "[ . 1 . 2]" 1
1036 1 49 ARG HA 1 62 ASN HA . . 3.450 2.218 1.996 2.530 . 0 0 "[ . 1 . 2]" 1
1037 1 49 ARG HA 1 62 ASN QB . . 4.210 3.572 3.001 3.969 . 0 0 "[ . 1 . 2]" 1
1038 1 49 ARG HA 1 62 ASN QD . . 5.340 4.851 3.157 5.320 . 0 0 "[ . 1 . 2]" 1
1039 1 49 ARG HA 1 63 ALA H . . 4.250 3.844 3.463 4.082 . 0 0 "[ . 1 . 2]" 1
1040 1 49 ARG HB2 1 50 TRP H . . 3.730 2.751 2.525 3.032 . 0 0 "[ . 1 . 2]" 1
1041 1 49 ARG HB2 1 60 TYR HB2 . . 5.500 5.229 4.693 5.508 0.008 8 0 "[ . 1 . 2]" 1
1042 1 49 ARG HB2 1 60 TYR HB3 . . 4.340 3.516 2.958 4.218 . 0 0 "[ . 1 . 2]" 1
1043 1 49 ARG HB2 1 60 TYR QD . . 4.190 3.090 2.003 3.652 . 0 0 "[ . 1 . 2]" 1
1044 1 49 ARG HB2 1 62 ASN H . . 5.500 5.339 5.160 5.477 . 0 0 "[ . 1 . 2]" 1
1045 1 49 ARG HB3 1 50 TRP H . . 4.400 4.005 3.784 4.207 . 0 0 "[ . 1 . 2]" 1
1046 1 49 ARG HB3 1 62 ASN QB . . 4.870 3.380 2.504 3.779 . 0 0 "[ . 1 . 2]" 1
1047 1 49 ARG QD 1 60 TYR QD . . 5.320 3.231 1.984 4.863 . 0 0 "[ . 1 . 2]" 1
1048 1 49 ARG QD 1 60 TYR QE . . 4.730 3.645 2.404 4.733 0.003 14 0 "[ . 1 . 2]" 1
1049 1 49 ARG QD 1 96 TRP HE1 . . 4.920 4.002 3.209 4.679 . 0 0 "[ . 1 . 2]" 1
1050 1 49 ARG QD 1 96 TRP HZ2 . . 4.470 3.410 2.456 4.475 0.005 7 0 "[ . 1 . 2]" 1
1051 1 49 ARG HE 1 60 TYR QE . . 4.890 4.356 2.762 4.890 0.000 7 0 "[ . 1 . 2]" 1
1052 1 49 ARG HE 1 96 TRP HD1 . . 5.500 5.097 4.197 5.505 0.005 20 0 "[ . 1 . 2]" 1
1053 1 49 ARG QG 1 50 TRP H . . 5.060 3.580 3.070 3.838 . 0 0 "[ . 1 . 2]" 1
1054 1 49 ARG QG 1 60 TYR QD . . 4.420 3.506 2.596 4.103 . 0 0 "[ . 1 . 2]" 1
1055 1 49 ARG QG 1 84 SER H . . 3.760 3.062 2.612 3.743 . 0 0 "[ . 1 . 2]" 1
1056 1 49 ARG HG2 1 84 SER H . . 4.350 3.493 2.668 4.290 . 0 0 "[ . 1 . 2]" 1
1057 1 49 ARG HG3 1 84 SER H . . 4.350 3.713 2.661 4.347 . 0 0 "[ . 1 . 2]" 1
1058 1 50 TRP H 1 50 TRP HE3 . . 3.900 2.993 2.625 3.443 . 0 0 "[ . 1 . 2]" 1
1059 1 50 TRP H 1 60 TYR HA . . 5.060 4.711 4.296 5.064 0.004 5 0 "[ . 1 . 2]" 1
1060 1 50 TRP H 1 60 TYR HB3 . . 5.160 4.793 4.247 5.153 . 0 0 "[ . 1 . 2]" 1
1061 1 50 TRP H 1 60 TYR QD . . 4.280 3.910 2.803 4.275 . 0 0 "[ . 1 . 2]" 1
1062 1 50 TRP H 1 61 LYS H . . 3.610 3.011 2.669 3.339 . 0 0 "[ . 1 . 2]" 1
1063 1 50 TRP H 1 61 LYS HB2 . . 4.550 3.089 2.181 3.921 . 0 0 "[ . 1 . 2]" 1
1064 1 50 TRP H 1 61 LYS HB3 . . 5.420 3.978 3.470 4.410 . 0 0 "[ . 1 . 2]" 1
1065 1 50 TRP H 1 62 ASN HA . . 4.220 3.918 3.469 4.222 0.002 16 0 "[ . 1 . 2]" 1
1066 1 50 TRP H 1 62 ASN QB . . 5.470 5.040 4.418 5.445 . 0 0 "[ . 1 . 2]" 1
1067 1 50 TRP HA 1 51 LYS H . . 2.970 2.242 2.174 2.317 . 0 0 "[ . 1 . 2]" 1
1068 1 50 TRP HA 1 60 TYR QD . . 5.230 4.562 4.037 4.816 . 0 0 "[ . 1 . 2]" 1
1069 1 50 TRP HA 1 60 TYR QE . . 5.190 4.806 2.659 5.189 . 0 0 "[ . 1 . 2]" 1
1070 1 50 TRP HA 1 61 LYS H . . 5.500 5.001 4.621 5.245 . 0 0 "[ . 1 . 2]" 1
1071 1 50 TRP HA 1 83 PHE QD . . 4.700 4.068 3.674 4.604 . 0 0 "[ . 1 . 2]" 1
1072 1 50 TRP HA 1 83 PHE QE . . 5.500 5.004 4.569 5.366 . 0 0 "[ . 1 . 2]" 1
1073 1 50 TRP QB 1 51 LYS H . . 3.390 2.840 2.623 3.063 . 0 0 "[ . 1 . 2]" 1
1074 1 50 TRP QB 1 83 PHE QD . . 3.340 2.390 2.049 2.866 . 0 0 "[ . 1 . 2]" 1
1075 1 50 TRP QB 1 83 PHE QE . . 3.920 2.805 2.460 3.260 . 0 0 "[ . 1 . 2]" 1
1076 1 50 TRP HB2 1 51 LYS H . . 4.210 2.900 2.665 3.152 . 0 0 "[ . 1 . 2]" 1
1077 1 50 TRP HB2 1 83 PHE QD . . 4.050 3.288 2.756 3.722 . 0 0 "[ . 1 . 2]" 1
1078 1 50 TRP HB2 1 83 PHE QE . . 4.530 3.106 2.611 3.612 . 0 0 "[ . 1 . 2]" 1
1079 1 50 TRP HB3 1 51 LYS H . . 4.210 4.065 3.914 4.183 . 0 0 "[ . 1 . 2]" 1
1080 1 50 TRP HB3 1 83 PHE QD . . 4.050 2.460 2.113 2.979 . 0 0 "[ . 1 . 2]" 1
1081 1 50 TRP HB3 1 83 PHE QE . . 4.530 3.236 2.799 3.712 . 0 0 "[ . 1 . 2]" 1
1082 1 50 TRP HD1 1 51 LYS H . . 4.490 4.037 3.735 4.428 . 0 0 "[ . 1 . 2]" 1
1083 1 50 TRP HD1 1 52 THR MG . . 5.500 4.513 3.819 5.289 . 0 0 "[ . 1 . 2]" 1
1084 1 50 TRP HD1 1 72 VAL MG1 . . 4.580 4.013 3.745 4.345 . 0 0 "[ . 1 . 2]" 1
1085 1 50 TRP HD1 1 75 LEU QD . . 3.650 2.947 2.670 3.200 . 0 0 "[ . 1 . 2]" 1
1086 1 50 TRP HD1 1 81 TYR QE . . 4.000 3.164 2.769 3.543 . 0 0 "[ . 1 . 2]" 1
1087 1 50 TRP HE1 1 61 LYS HB2 . . 4.150 3.811 2.995 4.149 . 0 0 "[ . 1 . 2]" 1
1088 1 50 TRP HE1 1 61 LYS HB3 . . 4.490 4.018 2.793 4.441 . 0 0 "[ . 1 . 2]" 1
1089 1 50 TRP HE1 1 61 LYS HD2 . . 4.300 3.074 2.108 4.059 . 0 0 "[ . 1 . 2]" 1
1090 1 50 TRP HE1 1 61 LYS QD . . 3.680 2.743 2.097 3.238 . 0 0 "[ . 1 . 2]" 1
1091 1 50 TRP HE1 1 61 LYS HD3 . . 4.300 3.667 2.146 4.305 0.005 14 0 "[ . 1 . 2]" 1
1092 1 50 TRP HE1 1 61 LYS QG . . 5.320 4.059 2.348 4.981 . 0 0 "[ . 1 . 2]" 1
1093 1 50 TRP HE1 1 72 VAL MG1 . . 4.170 3.994 3.612 4.170 . 0 0 "[ . 1 . 2]" 1
1094 1 50 TRP HE1 1 75 LEU QD . . 3.560 3.363 2.817 3.559 . 0 0 "[ . 1 . 2]" 1
1095 1 50 TRP HE1 1 81 TYR QE . . 5.130 4.537 3.922 5.063 . 0 0 "[ . 1 . 2]" 1
1096 1 50 TRP HE3 1 62 ASN HA . . 4.620 3.755 3.214 4.212 . 0 0 "[ . 1 . 2]" 1
1097 1 50 TRP HE3 1 83 PHE QD . . 4.650 4.210 3.872 4.616 . 0 0 "[ . 1 . 2]" 1
1098 1 50 TRP HH2 1 63 ALA H . . 5.050 4.395 3.849 4.841 . 0 0 "[ . 1 . 2]" 1
1099 1 50 TRP HH2 1 63 ALA MB . . 3.530 2.270 2.012 2.610 . 0 0 "[ . 1 . 2]" 1
1100 1 50 TRP HZ2 1 61 LYS HB2 . . 4.600 4.288 3.759 4.593 . 0 0 "[ . 1 . 2]" 1
1101 1 50 TRP HZ2 1 61 LYS HB3 . . 4.400 3.289 2.472 3.685 . 0 0 "[ . 1 . 2]" 1
1102 1 50 TRP HZ2 1 61 LYS HD2 . . 4.390 3.404 2.418 4.389 . 0 0 "[ . 1 . 2]" 1
1103 1 50 TRP HZ2 1 61 LYS QD . . 3.750 2.669 2.275 3.177 . 0 0 "[ . 1 . 2]" 1
1104 1 50 TRP HZ2 1 61 LYS HD3 . . 4.390 2.990 2.296 3.706 . 0 0 "[ . 1 . 2]" 1
1105 1 50 TRP HZ2 1 61 LYS QE . . 4.820 4.175 2.356 4.797 . 0 0 "[ . 1 . 2]" 1
1106 1 50 TRP HZ2 1 72 VAL MG1 . . 4.550 4.286 3.756 4.522 . 0 0 "[ . 1 . 2]" 1
1107 1 50 TRP HZ3 1 62 ASN HA . . 4.190 3.100 2.653 3.654 . 0 0 "[ . 1 . 2]" 1
1108 1 50 TRP HZ3 1 63 ALA H . . 3.610 2.829 2.356 3.549 . 0 0 "[ . 1 . 2]" 1
1109 1 50 TRP HZ3 1 63 ALA MB . . 3.870 2.037 1.845 2.182 . 0 0 "[ . 1 . 2]" 1
1110 1 50 TRP HZ3 1 64 ASN H . . 5.500 5.464 5.264 5.501 0.001 14 0 "[ . 1 . 2]" 1
1111 1 51 LYS H 1 51 LYS QG . . 3.790 2.558 2.303 2.823 . 0 0 "[ . 1 . 2]" 1
1112 1 51 LYS H 1 60 TYR QD . . 5.190 4.841 4.150 5.154 . 0 0 "[ . 1 . 2]" 1
1113 1 51 LYS H 1 60 TYR QE . . 5.040 4.734 3.798 5.036 . 0 0 "[ . 1 . 2]" 1
1114 1 51 LYS H 1 82 GLU H . . 3.590 2.598 2.085 3.588 . 0 0 "[ . 1 . 2]" 1
1115 1 51 LYS H 1 82 GLU QB . . 5.090 2.847 2.199 4.906 . 0 0 "[ . 1 . 2]" 1
1116 1 51 LYS H 1 82 GLU QG . . 4.650 4.158 3.236 4.642 . 0 0 "[ . 1 . 2]" 1
1117 1 51 LYS H 1 83 PHE QD . . 5.500 5.330 4.825 5.505 0.005 12 0 "[ . 1 . 2]" 1
1118 1 51 LYS HB2 1 51 LYS HD2 . . 4.170 2.785 2.089 3.582 . 0 0 "[ . 1 . 2]" 1
1119 1 51 LYS HB2 1 51 LYS QD . . 3.560 2.282 2.057 2.894 . 0 0 "[ . 1 . 2]" 1
1120 1 51 LYS HB2 1 51 LYS HD3 . . 4.170 2.768 2.082 3.774 . 0 0 "[ . 1 . 2]" 1
1121 1 51 LYS HB2 1 51 LYS HE2 . . 4.610 3.920 2.087 4.617 0.007 1 0 "[ . 1 . 2]" 1
1122 1 51 LYS HB2 1 51 LYS QE . . 4.020 3.357 2.054 4.027 0.007 20 0 "[ . 1 . 2]" 1
1123 1 51 LYS HB2 1 51 LYS HE3 . . 4.610 3.826 2.397 4.612 0.002 4 0 "[ . 1 . 2]" 1
1124 1 51 LYS HB2 1 52 THR H . . 3.300 2.282 2.026 2.684 . 0 0 "[ . 1 . 2]" 1
1125 1 51 LYS HB2 1 60 TYR HA . . 4.510 3.577 2.932 3.942 . 0 0 "[ . 1 . 2]" 1
1126 1 51 LYS HB2 1 60 TYR QE . . 4.690 4.517 3.997 4.694 0.004 17 0 "[ . 1 . 2]" 1
1127 1 51 LYS HB3 1 52 THR H . . 4.390 3.726 3.510 3.997 . 0 0 "[ . 1 . 2]" 1
1128 1 51 LYS HB3 1 60 TYR HA . . 3.620 2.657 2.328 3.544 . 0 0 "[ . 1 . 2]" 1
1129 1 51 LYS HB3 1 60 TYR QD . . 4.250 2.971 2.317 3.575 . 0 0 "[ . 1 . 2]" 1
1130 1 51 LYS HB3 1 61 LYS H . . 4.110 3.420 3.033 4.106 . 0 0 "[ . 1 . 2]" 1
1131 1 51 LYS QD 1 52 THR H . . 5.150 3.216 2.513 4.847 . 0 0 "[ . 1 . 2]" 1
1132 1 51 LYS QD 1 60 TYR QD . . 5.340 3.985 1.977 5.254 . 0 0 "[ . 1 . 2]" 1
1133 1 51 LYS QD 1 60 TYR QE . . 4.660 3.161 1.911 4.404 . 0 0 "[ . 1 . 2]" 1
1134 1 51 LYS QE 1 51 LYS QG . . 3.280 2.211 2.063 2.449 . 0 0 "[ . 1 . 2]" 1
1135 1 51 LYS QE 1 60 TYR QE . . 3.950 3.231 2.394 3.947 . 0 0 "[ . 1 . 2]" 1
1136 1 51 LYS HE2 1 60 TYR QE . . 4.660 3.861 2.766 4.638 . 0 0 "[ . 1 . 2]" 1
1137 1 51 LYS HE3 1 60 TYR QE . . 4.660 3.783 2.431 4.665 0.005 17 0 "[ . 1 . 2]" 1
1138 1 51 LYS QG 1 52 THR H . . 4.990 3.353 2.335 3.984 . 0 0 "[ . 1 . 2]" 1
1139 1 51 LYS QG 1 60 TYR QD . . 4.780 3.401 2.612 4.584 . 0 0 "[ . 1 . 2]" 1
1140 1 51 LYS QG 1 60 TYR QE . . 3.510 2.510 2.057 3.504 . 0 0 "[ . 1 . 2]" 1
1141 1 51 LYS QG 1 82 GLU H . . 4.550 3.659 3.091 4.125 . 0 0 "[ . 1 . 2]" 1
1142 1 51 LYS QG 1 82 GLU QG . . 4.320 3.322 2.620 3.992 . 0 0 "[ . 1 . 2]" 1
1143 1 52 THR H 1 52 THR HB . . 4.200 3.645 3.086 3.782 . 0 0 "[ . 1 . 2]" 1
1144 1 52 THR H 1 52 THR MG . . 3.230 2.614 2.025 2.986 . 0 0 "[ . 1 . 2]" 1
1145 1 52 THR H 1 58 THR HB . . 4.800 3.893 2.762 4.797 . 0 0 "[ . 1 . 2]" 1
1146 1 52 THR H 1 58 THR MG . . 4.040 3.586 2.101 4.049 0.009 16 0 "[ . 1 . 2]" 1
1147 1 52 THR H 1 81 TYR QE . . 5.070 4.461 3.618 5.030 . 0 0 "[ . 1 . 2]" 1
1148 1 52 THR HA 1 52 THR MG . . 3.440 2.414 2.197 3.195 . 0 0 "[ . 1 . 2]" 1
1149 1 52 THR HA 1 53 ASN H . . 3.050 2.200 2.142 2.329 . 0 0 "[ . 1 . 2]" 1
1150 1 52 THR HA 1 79 THR MG . . 4.370 3.868 3.525 4.260 . 0 0 "[ . 1 . 2]" 1
1151 1 52 THR HA 1 82 GLU H . . 4.580 4.135 3.530 4.571 . 0 0 "[ . 1 . 2]" 1
1152 1 52 THR HB 1 53 ASN H . . 3.800 3.195 2.575 3.769 . 0 0 "[ . 1 . 2]" 1
1153 1 52 THR HB 1 54 ILE H . . 3.900 2.843 2.349 3.939 0.039 13 0 "[ . 1 . 2]" 1
1154 1 52 THR HB 1 79 THR MG . . 3.790 3.221 2.706 3.704 . 0 0 "[ . 1 . 2]" 1
1155 1 52 THR HB 1 81 TYR QE . . 4.730 4.359 2.760 4.728 . 0 0 "[ . 1 . 2]" 1
1156 1 52 THR MG 1 53 ASN H . . 4.030 3.892 3.659 4.036 0.006 10 0 "[ . 1 . 2]" 1
1157 1 52 THR MG 1 54 ILE H . . 4.530 4.145 2.713 4.502 . 0 0 "[ . 1 . 2]" 1
1158 1 52 THR MG 1 79 THR MG . . 3.500 2.921 2.148 3.460 . 0 0 "[ . 1 . 2]" 1
1159 1 52 THR MG 1 81 TYR QE . . 3.960 2.239 1.897 3.214 . 0 0 "[ . 1 . 2]" 1
1160 1 53 ASN H 1 53 ASN HB2 . . 3.770 2.428 2.195 2.752 . 0 0 "[ . 1 . 2]" 1
1161 1 53 ASN H 1 53 ASN HB3 . . 3.770 2.744 2.351 3.555 . 0 0 "[ . 1 . 2]" 1
1162 1 53 ASN H 1 54 ILE H . . 3.170 2.633 2.338 2.955 . 0 0 "[ . 1 . 2]" 1
1163 1 53 ASN H 1 54 ILE HB . . 5.500 5.070 4.521 5.498 . 0 0 "[ . 1 . 2]" 1
1164 1 53 ASN H 1 79 THR MG . . 4.710 3.856 3.137 4.432 . 0 0 "[ . 1 . 2]" 1
1165 1 53 ASN H 1 80 LEU QB . . 5.340 3.442 2.460 4.589 . 0 0 "[ . 1 . 2]" 1
1166 1 53 ASN H 1 80 LEU QD . . 4.580 3.761 2.622 4.568 . 0 0 "[ . 1 . 2]" 1
1167 1 53 ASN H 1 80 LEU HG . . 5.150 4.585 3.611 5.152 0.002 18 0 "[ . 1 . 2]" 1
1168 1 53 ASN HA 1 53 ASN HD21 . . 4.610 2.833 1.904 4.148 . 0 0 "[ . 1 . 2]" 1
1169 1 53 ASN HA 1 53 ASN QD . . 3.790 2.716 1.897 3.787 . 0 0 "[ . 1 . 2]" 1
1170 1 53 ASN HA 1 53 ASN HD22 . . 4.610 3.818 3.476 4.387 . 0 0 "[ . 1 . 2]" 1
1171 1 53 ASN QB 1 54 ILE H . . 3.640 2.881 2.560 3.447 . 0 0 "[ . 1 . 2]" 1
1172 1 53 ASN QB 1 54 ILE HB . . 5.300 4.309 4.039 4.838 . 0 0 "[ . 1 . 2]" 1
1173 1 53 ASN QB 1 54 ILE QG . . 4.490 2.758 2.345 3.362 . 0 0 "[ . 1 . 2]" 1
1174 1 53 ASN QB 1 80 LEU QB . . 4.570 2.326 1.840 3.403 . 0 0 "[ . 1 . 2]" 1
1175 1 53 ASN QB 1 80 LEU QD . . 3.590 2.441 1.757 3.288 . 0 0 "[ . 1 . 2]" 1
1176 1 53 ASN HB2 1 54 ILE H . . 4.370 3.896 2.829 4.330 . 0 0 "[ . 1 . 2]" 1
1177 1 53 ASN HB2 1 80 LEU HG . . 4.260 3.101 2.014 4.134 . 0 0 "[ . 1 . 2]" 1
1178 1 53 ASN HB3 1 54 ILE H . . 4.370 3.021 2.602 4.079 . 0 0 "[ . 1 . 2]" 1
1179 1 53 ASN HB3 1 80 LEU HG . . 4.260 3.848 3.012 4.261 0.001 10 0 "[ . 1 . 2]" 1
1180 1 54 ILE H 1 54 ILE HB . . 3.200 2.721 2.625 2.851 . 0 0 "[ . 1 . 2]" 1
1181 1 54 ILE H 1 54 ILE MD . . 4.530 3.725 1.936 4.259 . 0 0 "[ . 1 . 2]" 1
1182 1 54 ILE H 1 54 ILE QG . . 3.650 2.868 2.515 3.301 . 0 0 "[ . 1 . 2]" 1
1183 1 54 ILE H 1 54 ILE MG . . 4.290 3.870 3.789 3.938 . 0 0 "[ . 1 . 2]" 1
1184 1 54 ILE HA 1 54 ILE MD . . 3.910 2.880 1.945 3.878 . 0 0 "[ . 1 . 2]" 1
1185 1 54 ILE HA 1 54 ILE HG12 . . 4.120 2.916 2.552 3.626 . 0 0 "[ . 1 . 2]" 1
1186 1 54 ILE HA 1 54 ILE QG . . 3.550 2.701 2.359 3.115 . 0 0 "[ . 1 . 2]" 1
1187 1 54 ILE HA 1 54 ILE HG13 . . 4.120 3.325 2.467 3.823 . 0 0 "[ . 1 . 2]" 1
1188 1 54 ILE HA 1 54 ILE MG . . 3.320 2.370 2.168 2.470 . 0 0 "[ . 1 . 2]" 1
1189 1 54 ILE HA 1 55 PRO HA . . 3.190 1.999 1.892 2.124 . 0 0 "[ . 1 . 2]" 1
1190 1 54 ILE HA 1 55 PRO QB . . 4.620 3.758 3.729 3.812 . 0 0 "[ . 1 . 2]" 1
1191 1 54 ILE HA 1 55 PRO QD . . 4.960 3.981 3.976 3.991 . 0 0 "[ . 1 . 2]" 1
1192 1 54 ILE HB 1 54 ILE MD . . 3.530 2.822 2.274 3.230 . 0 0 "[ . 1 . 2]" 1
1193 1 54 ILE HB 1 55 PRO HA . . 4.470 4.165 3.903 4.378 . 0 0 "[ . 1 . 2]" 1
1194 1 54 ILE QG 1 54 ILE MG . . 3.170 2.251 2.113 2.427 . 0 0 "[ . 1 . 2]" 1
1195 1 54 ILE HG12 1 54 ILE MG . . 3.660 2.758 2.149 3.201 . 0 0 "[ . 1 . 2]" 1
1196 1 54 ILE HG13 1 54 ILE MG . . 3.660 2.706 2.282 3.189 . 0 0 "[ . 1 . 2]" 1
1197 1 54 ILE MG 1 55 PRO HA . . 3.460 2.049 1.815 2.350 . 0 0 "[ . 1 . 2]" 1
1198 1 54 ILE MG 1 55 PRO QB . . 4.390 3.231 2.937 3.667 . 0 0 "[ . 1 . 2]" 1
1199 1 54 ILE MG 1 55 PRO QD . . 4.150 3.171 2.999 3.572 . 0 0 "[ . 1 . 2]" 1
1200 1 55 PRO QD 1 58 THR HB . . 4.900 4.306 2.448 4.844 . 0 0 "[ . 1 . 2]" 1
1201 1 55 PRO QD 1 58 THR MG . . 3.830 2.725 1.853 3.790 . 0 0 "[ . 1 . 2]" 1
1202 1 55 PRO QG 1 58 THR MG . . 4.390 2.659 1.881 4.155 . 0 0 "[ . 1 . 2]" 1
1203 1 56 ALA MB 1 57 ASN H . . 4.470 2.457 2.035 3.666 . 0 0 "[ . 1 . 2]" 1
1204 1 58 THR HA 1 58 THR MG . . 3.370 2.395 2.125 3.204 . 0 0 "[ . 1 . 2]" 1
1205 1 58 THR HA 1 59 LYS H . . 3.020 2.306 2.146 2.532 . 0 0 "[ . 1 . 2]" 1
1206 1 58 THR HB 1 59 LYS H . . 3.890 3.146 2.101 3.895 0.005 8 0 "[ . 1 . 2]" 1
1207 1 58 THR MG 1 59 LYS H . . 3.860 3.162 1.945 3.857 . 0 0 "[ . 1 . 2]" 1
1208 1 59 LYS H 1 59 LYS HB2 . . 3.850 2.859 2.156 3.640 . 0 0 "[ . 1 . 2]" 1
1209 1 59 LYS H 1 59 LYS QB . . 3.370 2.343 2.113 2.553 . 0 0 "[ . 1 . 2]" 1
1210 1 59 LYS H 1 59 LYS HB3 . . 3.850 3.030 2.305 3.623 . 0 0 "[ . 1 . 2]" 1
1211 1 59 LYS H 1 59 LYS HG2 . . 4.320 3.066 2.005 4.366 0.046 9 0 "[ . 1 . 2]" 1
1212 1 59 LYS H 1 59 LYS QG . . 3.720 2.782 1.993 3.724 0.004 9 0 "[ . 1 . 2]" 1
1213 1 59 LYS H 1 59 LYS HG3 . . 4.320 3.514 2.496 4.080 . 0 0 "[ . 1 . 2]" 1
1214 1 59 LYS HA 1 59 LYS QD . . 4.030 3.470 2.083 4.120 0.090 16 0 "[ . 1 . 2]" 1
1215 1 59 LYS HA 1 59 LYS HG2 . . 4.150 3.040 2.302 3.988 . 0 0 "[ . 1 . 2]" 1
1216 1 59 LYS HA 1 59 LYS QG . . 3.610 2.845 2.257 3.393 . 0 0 "[ . 1 . 2]" 1
1217 1 59 LYS HA 1 59 LYS HG3 . . 4.150 3.627 2.811 4.196 0.046 13 0 "[ . 1 . 2]" 1
1218 1 59 LYS HA 1 60 TYR H . . 3.030 2.303 2.140 2.493 . 0 0 "[ . 1 . 2]" 1
1219 1 59 LYS QB 1 60 TYR H . . 3.800 2.838 2.210 3.604 . 0 0 "[ . 1 . 2]" 1
1220 1 59 LYS HB2 1 60 TYR H . . 4.370 3.478 2.354 4.397 0.027 8 0 "[ . 1 . 2]" 1
1221 1 59 LYS HB3 1 60 TYR H . . 4.370 3.456 2.234 4.103 . 0 0 "[ . 1 . 2]" 1
1222 1 59 LYS QD 1 60 TYR H . . 5.040 4.118 3.291 4.967 . 0 0 "[ . 1 . 2]" 1
1223 1 59 LYS QE 1 59 LYS QG . . 3.420 2.211 2.085 2.655 . 0 0 "[ . 1 . 2]" 1
1224 1 59 LYS QG 1 60 TYR H . . 4.980 3.605 2.277 4.799 . 0 0 "[ . 1 . 2]" 1
1225 1 60 TYR H 1 60 TYR HB2 . . 3.430 2.282 2.146 2.459 . 0 0 "[ . 1 . 2]" 1
1226 1 60 TYR H 1 60 TYR HB3 . . 4.010 3.512 3.190 3.595 . 0 0 "[ . 1 . 2]" 1
1227 1 60 TYR H 1 60 TYR QD . . 3.600 3.214 2.737 3.651 0.051 8 0 "[ . 1 . 2]" 1
1228 1 60 TYR HA 1 60 TYR QD . . 3.760 2.755 2.131 3.047 . 0 0 "[ . 1 . 2]" 1
1229 1 60 TYR HA 1 61 LYS H . . 2.940 2.215 2.137 2.524 . 0 0 "[ . 1 . 2]" 1
1230 1 60 TYR HA 1 61 LYS HB2 . . 4.680 4.338 4.118 4.538 . 0 0 "[ . 1 . 2]" 1
1231 1 60 TYR HB2 1 61 LYS H . . 4.520 4.252 3.678 4.484 . 0 0 "[ . 1 . 2]" 1
1232 1 60 TYR HB3 1 61 LYS H . . 3.590 3.154 2.215 3.591 0.001 1 0 "[ . 1 . 2]" 1
1233 1 60 TYR QD 1 61 LYS H . . 4.050 3.323 2.751 4.044 . 0 0 "[ . 1 . 2]" 1
1234 1 60 TYR QE 1 82 GLU HG2 . . 5.500 4.906 3.925 5.491 . 0 0 "[ . 1 . 2]" 1
1235 1 60 TYR QE 1 82 GLU HG3 . . 5.500 5.137 4.015 5.493 . 0 0 "[ . 1 . 2]" 1
1236 1 61 LYS H 1 61 LYS HB2 . . 3.440 2.386 2.243 2.679 . 0 0 "[ . 1 . 2]" 1
1237 1 61 LYS H 1 61 LYS HB3 . . 4.090 3.596 3.510 3.781 . 0 0 "[ . 1 . 2]" 1
1238 1 61 LYS H 1 61 LYS QD . . 5.130 4.520 4.258 4.929 . 0 0 "[ . 1 . 2]" 1
1239 1 61 LYS H 1 61 LYS HG2 . . 4.500 3.774 2.708 4.261 . 0 0 "[ . 1 . 2]" 1
1240 1 61 LYS H 1 61 LYS QG . . 3.840 3.104 2.558 3.617 . 0 0 "[ . 1 . 2]" 1
1241 1 61 LYS H 1 61 LYS HG3 . . 4.500 3.411 2.662 4.265 . 0 0 "[ . 1 . 2]" 1
1242 1 61 LYS HA 1 61 LYS QD . . 4.360 3.597 2.435 4.073 . 0 0 "[ . 1 . 2]" 1
1243 1 61 LYS HA 1 61 LYS HG2 . . 3.920 2.316 2.159 2.641 . 0 0 "[ . 1 . 2]" 1
1244 1 61 LYS HA 1 61 LYS QG . . 3.280 2.266 2.123 2.590 . 0 0 "[ . 1 . 2]" 1
1245 1 61 LYS HA 1 61 LYS HG3 . . 3.920 3.251 2.814 3.742 . 0 0 "[ . 1 . 2]" 1
1246 1 61 LYS HA 1 62 ASN H . . 2.840 2.371 2.142 2.651 . 0 0 "[ . 1 . 2]" 1
1247 1 61 LYS HA 1 62 ASN QB . . 4.840 4.370 3.938 4.599 . 0 0 "[ . 1 . 2]" 1
1248 1 61 LYS HA 1 62 ASN QD . . 4.730 3.310 2.699 4.365 . 0 0 "[ . 1 . 2]" 1
1249 1 61 LYS HB2 1 61 LYS HD2 . . 4.060 3.152 2.510 4.071 0.011 10 0 "[ . 1 . 2]" 1
1250 1 61 LYS HB2 1 61 LYS HD3 . . 4.060 3.232 2.607 3.642 . 0 0 "[ . 1 . 2]" 1
1251 1 61 LYS HB2 1 61 LYS QE . . 4.600 3.990 3.476 4.411 . 0 0 "[ . 1 . 2]" 1
1252 1 61 LYS HB2 1 62 ASN H . . 4.460 3.879 3.374 4.464 0.004 6 0 "[ . 1 . 2]" 1
1253 1 61 LYS HB3 1 61 LYS QE . . 4.450 3.591 2.094 4.149 . 0 0 "[ . 1 . 2]" 1
1254 1 61 LYS HB3 1 62 ASN H . . 3.590 2.624 1.926 3.529 . 0 0 "[ . 1 . 2]" 1
1255 1 61 LYS QD 1 62 ASN H . . 4.560 4.014 2.972 4.564 0.004 19 0 "[ . 1 . 2]" 1
1256 1 61 LYS QE 1 61 LYS QG . . 3.400 2.193 2.057 2.609 . 0 0 "[ . 1 . 2]" 1
1257 1 61 LYS QG 1 62 ASN H . . 4.220 3.708 3.338 4.216 . 0 0 "[ . 1 . 2]" 1
1258 1 62 ASN H 1 62 ASN QB . . 3.580 3.156 2.632 3.363 . 0 0 "[ . 1 . 2]" 1
1259 1 62 ASN H 1 62 ASN HD21 . . 4.810 3.069 2.132 4.453 . 0 0 "[ . 1 . 2]" 1
1260 1 62 ASN H 1 62 ASN QD . . 4.120 2.883 2.121 4.022 . 0 0 "[ . 1 . 2]" 1
1261 1 62 ASN H 1 62 ASN HD22 . . 4.810 3.694 3.197 4.585 . 0 0 "[ . 1 . 2]" 1
1262 1 62 ASN H 1 63 ALA H . . 4.770 4.361 4.199 4.527 . 0 0 "[ . 1 . 2]" 1
1263 1 62 ASN HA 1 62 ASN QD . . 4.370 3.690 2.888 4.168 . 0 0 "[ . 1 . 2]" 1
1264 1 62 ASN HA 1 63 ALA H . . 2.960 2.305 2.189 2.470 . 0 0 "[ . 1 . 2]" 1
1265 1 62 ASN QB 1 63 ALA H . . 3.310 2.668 2.265 2.992 . 0 0 "[ . 1 . 2]" 1
1266 1 63 ALA H 1 63 ALA MB . . 3.580 2.494 2.405 2.568 . 0 0 "[ . 1 . 2]" 1
1267 1 63 ALA HA 1 64 ASN H . . 3.320 2.441 2.150 2.625 . 0 0 "[ . 1 . 2]" 1
1268 1 63 ALA MB 1 64 ASN H . . 3.850 2.378 1.956 3.120 . 0 0 "[ . 1 . 2]" 1
1269 1 64 ASN H 1 64 ASN QB . . 3.820 2.879 2.450 3.238 . 0 0 "[ . 1 . 2]" 1
1270 1 64 ASN HA 1 65 ALA H . . 3.110 2.145 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
1271 1 64 ASN QB 1 65 ALA H . . 3.820 3.407 3.231 3.611 . 0 0 "[ . 1 . 2]" 1
1272 1 65 ALA H 1 65 ALA MB . . 3.610 2.784 2.686 2.818 . 0 0 "[ . 1 . 2]" 1
1273 1 65 ALA HA 1 66 THR H . . 3.010 2.143 2.140 2.153 . 0 0 "[ . 1 . 2]" 1
1274 1 65 ALA HA 1 66 THR MG . . 4.490 3.680 3.460 3.981 . 0 0 "[ . 1 . 2]" 1
1275 1 65 ALA HA 1 67 THR H . . 5.440 5.307 5.289 5.342 . 0 0 "[ . 1 . 2]" 1
1276 1 65 ALA MB 1 66 THR H . . 3.830 3.268 3.095 3.323 . 0 0 "[ . 1 . 2]" 1
1277 1 65 ALA MB 1 67 THR H . . 4.170 4.149 4.080 4.190 0.020 15 0 "[ . 1 . 2]" 1
1278 1 65 ALA MB 1 67 THR MG . . 4.600 2.528 2.431 2.742 . 0 0 "[ . 1 . 2]" 1
1279 1 65 ALA MB 1 69 SER H . . 5.200 5.189 5.107 5.229 0.029 13 0 "[ . 1 . 2]" 1
1280 1 65 ALA MB 1 70 TYR HB2 . . 4.180 3.478 2.952 3.980 . 0 0 "[ . 1 . 2]" 1
1281 1 65 ALA MB 1 70 TYR HB3 . . 5.100 4.822 4.371 5.106 0.006 12 0 "[ . 1 . 2]" 1
1282 1 65 ALA MB 1 70 TYR QD . . 3.680 2.880 1.912 3.671 . 0 0 "[ . 1 . 2]" 1
1283 1 66 THR H 1 66 THR MG . . 3.800 2.351 2.062 2.624 . 0 0 "[ . 1 . 2]" 1
1284 1 67 THR H 1 67 THR HB . . 4.150 3.700 3.487 3.794 . 0 0 "[ . 1 . 2]" 1
1285 1 67 THR H 1 67 THR MG . . 3.350 2.563 2.386 2.721 . 0 0 "[ . 1 . 2]" 1
1286 1 67 THR HA 1 67 THR MG . . 3.240 3.175 3.146 3.204 . 0 0 "[ . 1 . 2]" 1
1287 1 67 THR HA 1 68 LEU H . . 3.270 2.536 2.475 2.648 . 0 0 "[ . 1 . 2]" 1
1288 1 67 THR HB 1 68 LEU H . . 3.680 3.446 3.360 3.569 . 0 0 "[ . 1 . 2]" 1
1289 1 67 THR HB 1 69 SER H . . 4.200 4.106 4.004 4.211 0.011 18 0 "[ . 1 . 2]" 1
1290 1 67 THR MG 1 68 LEU H . . 3.690 3.458 2.852 3.692 0.002 1 0 "[ . 1 . 2]" 1
1291 1 67 THR MG 1 69 SER H . . 3.440 2.379 1.849 2.744 . 0 0 "[ . 1 . 2]" 1
1292 1 68 LEU H 1 68 LEU HB2 . . 3.390 2.296 2.204 2.483 . 0 0 "[ . 1 . 2]" 1
1293 1 68 LEU H 1 68 LEU HB3 . . 3.950 3.556 3.489 3.685 . 0 0 "[ . 1 . 2]" 1
1294 1 68 LEU H 1 68 LEU MD1 . . 3.830 3.658 3.485 3.808 . 0 0 "[ . 1 . 2]" 1
1295 1 68 LEU H 1 68 LEU MD2 . . 4.460 4.216 4.104 4.362 . 0 0 "[ . 1 . 2]" 1
1296 1 68 LEU H 1 68 LEU HG . . 3.580 3.205 3.009 3.480 . 0 0 "[ . 1 . 2]" 1
1297 1 68 LEU H 1 69 SER H . . 3.370 2.659 2.433 2.840 . 0 0 "[ . 1 . 2]" 1
1298 1 68 LEU HA 1 68 LEU MD1 . . 4.170 3.837 3.796 3.896 . 0 0 "[ . 1 . 2]" 1
1299 1 68 LEU HA 1 68 LEU MD2 . . 3.130 2.418 2.293 2.594 . 0 0 "[ . 1 . 2]" 1
1300 1 68 LEU HA 1 68 LEU HG . . 3.720 2.644 2.515 2.861 . 0 0 "[ . 1 . 2]" 1
1301 1 68 LEU HA 1 69 SER H . . 3.100 3.023 2.941 3.109 0.009 12 0 "[ . 1 . 2]" 1
1302 1 68 LEU HB2 1 69 SER H . . 4.290 3.991 3.893 4.102 . 0 0 "[ . 1 . 2]" 1
1303 1 68 LEU HB3 1 68 LEU MD1 . . 3.280 2.597 2.506 2.673 . 0 0 "[ . 1 . 2]" 1
1304 1 68 LEU HB3 1 69 SER H . . 4.490 4.285 4.182 4.393 . 0 0 "[ . 1 . 2]" 1
1305 1 68 LEU MD2 1 69 SER H . . 5.100 4.889 4.761 4.999 . 0 0 "[ . 1 . 2]" 1
1306 1 69 SER H 1 69 SER QB . . 3.510 3.160 2.794 3.403 . 0 0 "[ . 1 . 2]" 1
1307 1 69 SER H 1 70 TYR H . . 4.530 4.239 3.863 4.381 . 0 0 "[ . 1 . 2]" 1
1308 1 69 SER HA 1 70 TYR H . . 2.890 2.372 2.140 2.651 . 0 0 "[ . 1 . 2]" 1
1309 1 69 SER QB 1 70 TYR H . . 3.500 2.827 1.961 3.404 . 0 0 "[ . 1 . 2]" 1
1310 1 69 SER HB2 1 70 TYR H . . 4.180 3.081 1.971 3.964 . 0 0 "[ . 1 . 2]" 1
1311 1 69 SER HB3 1 70 TYR H . . 4.180 3.670 2.444 4.193 0.013 18 0 "[ . 1 . 2]" 1
1312 1 70 TYR H 1 70 TYR HB2 . . 4.160 3.367 2.908 3.621 . 0 0 "[ . 1 . 2]" 1
1313 1 70 TYR H 1 70 TYR HB3 . . 3.830 2.946 2.542 3.269 . 0 0 "[ . 1 . 2]" 1
1314 1 70 TYR H 1 70 TYR QD . . 5.480 4.395 4.252 4.511 . 0 0 "[ . 1 . 2]" 1
1315 1 70 TYR H 1 71 LEU H . . 4.880 4.212 3.997 4.450 . 0 0 "[ . 1 . 2]" 1
1316 1 70 TYR HA 1 70 TYR QD . . 3.830 2.628 2.113 3.180 . 0 0 "[ . 1 . 2]" 1
1317 1 70 TYR HA 1 71 LEU H . . 2.980 2.188 2.144 2.294 . 0 0 "[ . 1 . 2]" 1
1318 1 70 TYR HA 1 71 LEU QB . . 4.650 4.008 3.902 4.171 . 0 0 "[ . 1 . 2]" 1
1319 1 70 TYR HB2 1 71 LEU H . . 4.630 4.128 3.946 4.350 . 0 0 "[ . 1 . 2]" 1
1320 1 70 TYR HB3 1 71 LEU H . . 5.070 4.071 3.737 4.328 . 0 0 "[ . 1 . 2]" 1
1321 1 70 TYR HB3 1 72 VAL MG2 . . 4.580 3.964 3.313 4.519 . 0 0 "[ . 1 . 2]" 1
1322 1 70 TYR QD 1 71 LEU H . . 4.230 2.372 1.914 2.910 . 0 0 "[ . 1 . 2]" 1
1323 1 70 TYR QD 1 72 VAL HA . . 4.630 4.092 3.236 4.625 . 0 0 "[ . 1 . 2]" 1
1324 1 70 TYR QD 1 72 VAL MG2 . . 3.310 2.707 1.966 3.282 . 0 0 "[ . 1 . 2]" 1
1325 1 70 TYR QD 1 85 VAL MG1 . . 5.310 5.083 4.617 5.268 . 0 0 "[ . 1 . 2]" 1
1326 1 70 TYR QE 1 72 VAL HA . . 4.380 2.994 2.090 3.603 . 0 0 "[ . 1 . 2]" 1
1327 1 70 TYR QE 1 72 VAL MG2 . . 3.430 2.541 2.016 3.142 . 0 0 "[ . 1 . 2]" 1
1328 1 71 LEU H 1 71 LEU HB2 . . 3.600 2.708 2.267 3.133 . 0 0 "[ . 1 . 2]" 1
1329 1 71 LEU H 1 71 LEU HB3 . . 3.600 2.842 2.332 3.588 . 0 0 "[ . 1 . 2]" 1
1330 1 71 LEU H 1 71 LEU QD . . 4.670 3.671 2.582 3.874 . 0 0 "[ . 1 . 2]" 1
1331 1 71 LEU H 1 72 VAL H . . 4.790 4.229 3.997 4.402 . 0 0 "[ . 1 . 2]" 1
1332 1 71 LEU HA 1 71 LEU QD . . 3.360 2.370 1.895 3.003 . 0 0 "[ . 1 . 2]" 1
1333 1 71 LEU HA 1 72 VAL H . . 2.870 2.157 2.140 2.243 . 0 0 "[ . 1 . 2]" 1
1334 1 71 LEU HA 1 72 VAL MG2 . . 4.390 3.568 3.376 3.838 . 0 0 "[ . 1 . 2]" 1
1335 1 71 LEU QD 1 72 VAL H . . 3.910 2.996 2.230 3.700 . 0 0 "[ . 1 . 2]" 1
1336 1 72 VAL H 1 72 VAL HB . . 3.330 2.662 2.543 2.825 . 0 0 "[ . 1 . 2]" 1
1337 1 72 VAL H 1 72 VAL MG1 . . 4.420 3.796 3.740 3.860 . 0 0 "[ . 1 . 2]" 1
1338 1 72 VAL H 1 72 VAL MG2 . . 3.350 2.134 1.901 2.377 . 0 0 "[ . 1 . 2]" 1
1339 1 72 VAL H 1 75 LEU QD . . 5.040 4.637 4.336 4.913 . 0 0 "[ . 1 . 2]" 1
1340 1 72 VAL HA 1 72 VAL MG1 . . 3.500 2.294 2.064 2.416 . 0 0 "[ . 1 . 2]" 1
1341 1 72 VAL HA 1 72 VAL MG2 . . 3.500 2.489 2.333 2.568 . 0 0 "[ . 1 . 2]" 1
1342 1 72 VAL HA 1 73 THR H . . 3.240 2.188 2.139 2.297 . 0 0 "[ . 1 . 2]" 1
1343 1 72 VAL HA 1 73 THR MG . . 4.560 3.804 3.511 4.043 . 0 0 "[ . 1 . 2]" 1
1344 1 72 VAL HB 1 75 LEU MD1 . . 4.470 2.743 2.260 3.070 . 0 0 "[ . 1 . 2]" 1
1345 1 72 VAL HB 1 75 LEU QD . . 3.580 2.682 2.242 3.003 . 0 0 "[ . 1 . 2]" 1
1346 1 72 VAL HB 1 75 LEU MD2 . . 4.470 3.866 3.411 4.258 . 0 0 "[ . 1 . 2]" 1
1347 1 72 VAL HB 1 83 PHE QE . . 4.510 3.226 2.700 4.021 . 0 0 "[ . 1 . 2]" 1
1348 1 72 VAL MG1 1 73 THR H . . 3.730 2.436 2.011 3.135 . 0 0 "[ . 1 . 2]" 1
1349 1 72 VAL MG1 1 75 LEU H . . 5.380 4.968 4.169 5.290 . 0 0 "[ . 1 . 2]" 1
1350 1 72 VAL MG1 1 75 LEU MD1 . . 3.190 2.476 2.141 3.171 . 0 0 "[ . 1 . 2]" 1
1351 1 72 VAL MG1 1 75 LEU QD . . 2.780 2.067 1.879 2.470 . 0 0 "[ . 1 . 2]" 1
1352 1 72 VAL MG1 1 75 LEU MD2 . . 3.190 2.239 1.983 2.707 . 0 0 "[ . 1 . 2]" 1
1353 1 72 VAL MG1 1 75 LEU HG . . 3.590 2.920 2.317 3.535 . 0 0 "[ . 1 . 2]" 1
1354 1 72 VAL MG1 1 83 PHE QE . . 3.490 2.261 1.908 2.863 . 0 0 "[ . 1 . 2]" 1
1355 1 72 VAL MG1 1 83 PHE HZ . . 4.910 3.664 2.831 4.224 . 0 0 "[ . 1 . 2]" 1
1356 1 72 VAL MG2 1 73 THR H . . 4.460 4.116 3.976 4.302 . 0 0 "[ . 1 . 2]" 1
1357 1 72 VAL MG2 1 75 LEU MD1 . . 4.500 3.804 3.442 4.103 . 0 0 "[ . 1 . 2]" 1
1358 1 72 VAL MG2 1 75 LEU MD2 . . 4.500 4.140 3.868 4.479 . 0 0 "[ . 1 . 2]" 1
1359 1 72 VAL MG2 1 83 PHE QD . . 3.960 2.787 2.027 3.527 . 0 0 "[ . 1 . 2]" 1
1360 1 72 VAL MG2 1 83 PHE QE . . 3.610 2.562 1.921 3.215 . 0 0 "[ . 1 . 2]" 1
1361 1 72 VAL MG2 1 83 PHE HZ . . 4.550 4.087 3.588 4.471 . 0 0 "[ . 1 . 2]" 1
1362 1 73 THR H 1 73 THR MG . . 4.290 3.090 2.908 3.343 . 0 0 "[ . 1 . 2]" 1
1363 1 73 THR HA 1 73 THR MG . . 3.470 2.280 2.134 2.404 . 0 0 "[ . 1 . 2]" 1
1364 1 73 THR HA 1 74 GLY H . . 3.230 2.321 2.209 2.492 . 0 0 "[ . 1 . 2]" 1
1365 1 73 THR HA 1 75 LEU H . . 4.340 3.872 3.233 4.334 . 0 0 "[ . 1 . 2]" 1
1366 1 73 THR HA 1 75 LEU HG . . 4.820 3.569 3.213 3.926 . 0 0 "[ . 1 . 2]" 1
1367 1 73 THR HB 1 74 GLY H . . 2.970 2.633 2.194 2.970 . 0 0 "[ . 1 . 2]" 1
1368 1 73 THR MG 1 74 GLY H . . 4.000 3.668 3.352 3.867 . 0 0 "[ . 1 . 2]" 1
1369 1 74 GLY H 1 75 LEU HG . . 4.420 3.625 3.070 4.107 . 0 0 "[ . 1 . 2]" 1
1370 1 75 LEU H 1 75 LEU HB2 . . 3.350 2.659 2.510 2.849 . 0 0 "[ . 1 . 2]" 1
1371 1 75 LEU H 1 75 LEU HB3 . . 3.880 3.736 3.618 3.793 . 0 0 "[ . 1 . 2]" 1
1372 1 75 LEU H 1 75 LEU MD1 . . 4.120 3.578 3.164 3.998 . 0 0 "[ . 1 . 2]" 1
1373 1 75 LEU H 1 75 LEU MD2 . . 4.120 3.838 3.527 4.065 . 0 0 "[ . 1 . 2]" 1
1374 1 75 LEU H 1 75 LEU HG . . 3.700 2.608 2.229 2.907 . 0 0 "[ . 1 . 2]" 1
1375 1 75 LEU HA 1 75 LEU MD1 . . 4.310 3.963 3.892 4.026 . 0 0 "[ . 1 . 2]" 1
1376 1 75 LEU HA 1 75 LEU QD . . 2.970 2.407 2.168 2.568 . 0 0 "[ . 1 . 2]" 1
1377 1 75 LEU HA 1 75 LEU MD2 . . 4.310 2.428 2.178 2.600 . 0 0 "[ . 1 . 2]" 1
1378 1 75 LEU HA 1 75 LEU HG . . 4.080 3.040 2.891 3.239 . 0 0 "[ . 1 . 2]" 1
1379 1 75 LEU HA 1 76 LYS H . . 3.190 2.457 2.314 2.652 . 0 0 "[ . 1 . 2]" 1
1380 1 75 LEU HB2 1 75 LEU QD . . 2.940 2.146 1.993 2.298 . 0 0 "[ . 1 . 2]" 1
1381 1 75 LEU HB2 1 76 LYS H . . 3.750 3.360 2.999 3.695 . 0 0 "[ . 1 . 2]" 1
1382 1 75 LEU HB2 1 81 TYR QE . . 5.140 4.440 3.620 4.970 . 0 0 "[ . 1 . 2]" 1
1383 1 75 LEU HB3 1 76 LYS H . . 3.350 2.362 2.016 2.662 . 0 0 "[ . 1 . 2]" 1
1384 1 75 LEU HB3 1 81 TYR QE . . 3.940 3.134 2.457 3.613 . 0 0 "[ . 1 . 2]" 1
1385 1 75 LEU QD 1 76 LYS H . . 3.870 3.415 3.165 3.694 . 0 0 "[ . 1 . 2]" 1
1386 1 75 LEU QD 1 81 TYR QE . . 3.710 2.854 2.420 3.210 . 0 0 "[ . 1 . 2]" 1
1387 1 75 LEU QD 1 83 PHE QE . . 3.840 2.626 2.113 3.020 . 0 0 "[ . 1 . 2]" 1
1388 1 75 LEU QD 1 83 PHE HZ . . 3.510 2.195 1.882 2.732 . 0 0 "[ . 1 . 2]" 1
1389 1 75 LEU QD 1 104 THR MG . . 3.160 2.562 2.245 2.678 . 0 0 "[ . 1 . 2]" 1
1390 1 75 LEU MD1 1 81 TYR QE . . 5.060 4.442 4.007 4.936 . 0 0 "[ . 1 . 2]" 1
1391 1 75 LEU MD1 1 83 PHE QE . . 4.560 2.979 2.486 3.320 . 0 0 "[ . 1 . 2]" 1
1392 1 75 LEU MD1 1 83 PHE HZ . . 4.200 2.257 1.920 2.954 . 0 0 "[ . 1 . 2]" 1
1393 1 75 LEU MD2 1 81 TYR QE . . 5.060 2.895 2.429 3.252 . 0 0 "[ . 1 . 2]" 1
1394 1 75 LEU MD2 1 83 PHE QE . . 4.560 2.961 2.287 3.509 . 0 0 "[ . 1 . 2]" 1
1395 1 75 LEU MD2 1 83 PHE HZ . . 4.200 3.099 2.466 3.868 . 0 0 "[ . 1 . 2]" 1
1396 1 76 LYS H 1 76 LYS QB . . 3.230 2.294 2.172 2.546 . 0 0 "[ . 1 . 2]" 1
1397 1 76 LYS H 1 76 LYS HG2 . . 4.820 3.977 2.082 4.604 . 0 0 "[ . 1 . 2]" 1
1398 1 76 LYS H 1 76 LYS QG . . 3.980 3.444 2.057 4.005 0.025 3 0 "[ . 1 . 2]" 1
1399 1 76 LYS H 1 76 LYS HG3 . . 4.820 3.928 2.938 4.704 . 0 0 "[ . 1 . 2]" 1
1400 1 76 LYS H 1 79 THR HB . . 4.930 3.940 3.451 4.102 . 0 0 "[ . 1 . 2]" 1
1401 1 76 LYS H 1 81 TYR QE . . 3.820 2.404 1.960 3.216 . 0 0 "[ . 1 . 2]" 1
1402 1 76 LYS QB 1 76 LYS QE . . 4.390 3.321 2.061 3.768 . 0 0 "[ . 1 . 2]" 1
1403 1 76 LYS QB 1 77 PRO HD2 . . 3.410 2.839 2.056 3.366 . 0 0 "[ . 1 . 2]" 1
1404 1 76 LYS QB 1 77 PRO HD3 . . 4.220 3.922 3.402 4.209 . 0 0 "[ . 1 . 2]" 1
1405 1 76 LYS QB 1 79 THR HB . . 4.130 2.728 2.099 3.061 . 0 0 "[ . 1 . 2]" 1
1406 1 76 LYS QB 1 79 THR HG1 . . 4.080 2.740 1.978 3.700 . 0 0 "[ . 1 . 2]" 1
1407 1 76 LYS QB 1 79 THR MG . . 3.900 2.914 2.490 3.260 . 0 0 "[ . 1 . 2]" 1
1408 1 76 LYS QB 1 81 TYR QE . . 4.550 2.464 2.028 2.851 . 0 0 "[ . 1 . 2]" 1
1409 1 76 LYS QD 1 77 PRO HD2 . . 4.660 3.570 2.207 4.444 . 0 0 "[ . 1 . 2]" 1
1410 1 76 LYS QD 1 77 PRO HD3 . . 5.370 4.751 3.240 5.380 0.010 2 0 "[ . 1 . 2]" 1
1411 1 76 LYS QD 1 79 THR MG . . 5.000 3.741 2.474 5.004 0.004 19 0 "[ . 1 . 2]" 1
1412 1 76 LYS QE 1 77 PRO HD2 . . 5.340 4.259 3.503 5.184 . 0 0 "[ . 1 . 2]" 1
1413 1 76 LYS QG 1 79 THR MG . . 4.600 4.128 3.297 4.600 . 16 0 "[ . 1 . 2]" 1
1414 1 76 LYS HG2 1 77 PRO HD2 . . 4.620 2.991 1.996 4.423 . 0 0 "[ . 1 . 2]" 1
1415 1 76 LYS HG3 1 77 PRO HD2 . . 4.620 3.212 1.991 4.610 . 0 0 "[ . 1 . 2]" 1
1416 1 77 PRO HA 1 78 ASN H . . 3.020 2.274 2.216 2.371 . 0 0 "[ . 1 . 2]" 1
1417 1 77 PRO HA 1 79 THR H . . 4.270 3.845 3.553 3.987 . 0 0 "[ . 1 . 2]" 1
1418 1 77 PRO HA 1 79 THR HG1 . . 5.210 4.422 3.846 5.112 . 0 0 "[ . 1 . 2]" 1
1419 1 77 PRO HA 1 104 THR HB . . 3.910 3.138 2.794 3.552 . 0 0 "[ . 1 . 2]" 1
1420 1 77 PRO HA 1 104 THR HG1 . . 3.450 2.855 2.172 3.370 . 0 0 "[ . 1 . 2]" 1
1421 1 77 PRO HA 1 104 THR MG . . 4.240 3.928 3.615 4.240 . 0 0 "[ . 1 . 2]" 1
1422 1 77 PRO HA 1 106 GLU HA . . 5.500 4.288 3.813 4.643 . 0 0 "[ . 1 . 2]" 1
1423 1 77 PRO HB2 1 78 ASN H . . 3.750 2.976 2.691 3.172 . 0 0 "[ . 1 . 2]" 1
1424 1 77 PRO HB2 1 106 GLU HA . . 3.500 2.717 2.365 2.959 . 0 0 "[ . 1 . 2]" 1
1425 1 77 PRO HB2 1 107 LEU H . . 3.300 2.130 1.905 2.463 . 0 0 "[ . 1 . 2]" 1
1426 1 77 PRO HB2 1 107 LEU HA . . 4.950 4.368 3.948 4.647 . 0 0 "[ . 1 . 2]" 1
1427 1 77 PRO HB2 1 107 LEU HB2 . . 4.750 3.008 2.396 3.505 . 0 0 "[ . 1 . 2]" 1
1428 1 77 PRO HB2 1 107 LEU QB . . 4.100 2.621 2.374 2.857 . 0 0 "[ . 1 . 2]" 1
1429 1 77 PRO HB2 1 107 LEU HB3 . . 4.750 3.338 2.641 4.355 . 0 0 "[ . 1 . 2]" 1
1430 1 77 PRO HB3 1 78 ASN H . . 3.970 3.653 3.494 3.768 . 0 0 "[ . 1 . 2]" 1
1431 1 77 PRO HB3 1 106 GLU HA . . 4.090 3.846 3.545 4.093 0.003 5 0 "[ . 1 . 2]" 1
1432 1 77 PRO HB3 1 107 LEU H . . 3.760 2.979 2.565 3.437 . 0 0 "[ . 1 . 2]" 1
1433 1 77 PRO HB3 1 107 LEU HA . . 4.670 3.969 3.314 4.496 . 0 0 "[ . 1 . 2]" 1
1434 1 77 PRO HB3 1 107 LEU HB2 . . 4.550 2.325 2.002 2.777 . 0 0 "[ . 1 . 2]" 1
1435 1 77 PRO HB3 1 107 LEU QB . . 3.900 2.226 1.983 2.739 . 0 0 "[ . 1 . 2]" 1
1436 1 77 PRO HB3 1 107 LEU HB3 . . 4.550 3.254 2.425 4.278 . 0 0 "[ . 1 . 2]" 1
1437 1 77 PRO HB3 1 107 LEU QD . . 4.280 3.080 2.461 3.292 . 0 0 "[ . 1 . 2]" 1
1438 1 77 PRO HB3 1 107 LEU HG . . 5.150 4.295 2.000 5.039 . 0 0 "[ . 1 . 2]" 1
1439 1 77 PRO HG2 1 107 LEU H . . 4.170 3.798 3.518 3.988 . 0 0 "[ . 1 . 2]" 1
1440 1 77 PRO HG2 1 107 LEU HB2 . . 4.510 3.813 2.907 4.502 . 0 0 "[ . 1 . 2]" 1
1441 1 77 PRO HG2 1 107 LEU QB . . 3.870 3.094 2.874 3.323 . 0 0 "[ . 1 . 2]" 1
1442 1 77 PRO HG2 1 107 LEU HB3 . . 4.510 3.669 2.966 4.518 0.008 14 0 "[ . 1 . 2]" 1
1443 1 77 PRO HG2 1 107 LEU QD . . 4.170 3.701 3.310 4.169 . 0 0 "[ . 1 . 2]" 1
1444 1 77 PRO HG3 1 107 LEU QB . . 3.910 2.019 1.941 2.159 . 0 0 "[ . 1 . 2]" 1
1445 1 77 PRO HG3 1 107 LEU MD1 . . 4.430 3.521 1.867 4.427 . 0 0 "[ . 1 . 2]" 1
1446 1 77 PRO HG3 1 107 LEU QD . . 3.530 2.280 1.864 2.926 . 0 0 "[ . 1 . 2]" 1
1447 1 77 PRO HG3 1 107 LEU MD2 . . 4.430 3.070 2.072 4.423 . 0 0 "[ . 1 . 2]" 1
1448 1 77 PRO HG3 1 107 LEU HG . . 4.210 3.777 2.605 4.197 . 0 0 "[ . 1 . 2]" 1
1449 1 78 ASN H 1 78 ASN HB2 . . 4.170 3.185 2.837 3.994 . 0 0 "[ . 1 . 2]" 1
1450 1 78 ASN H 1 78 ASN HB3 . . 4.170 3.449 2.886 3.732 . 0 0 "[ . 1 . 2]" 1
1451 1 78 ASN H 1 79 THR H . . 3.610 2.998 2.831 3.117 . 0 0 "[ . 1 . 2]" 1
1452 1 78 ASN H 1 103 THR MG . . 4.520 4.208 3.914 4.459 . 0 0 "[ . 1 . 2]" 1
1453 1 78 ASN H 1 104 THR H . . 4.790 4.551 4.234 4.792 0.002 10 0 "[ . 1 . 2]" 1
1454 1 78 ASN H 1 104 THR HG1 . . 3.710 2.712 2.104 3.710 . 0 0 "[ . 1 . 2]" 1
1455 1 78 ASN H 1 104 THR MG . . 5.380 4.674 4.311 4.880 . 0 0 "[ . 1 . 2]" 1
1456 1 78 ASN H 1 105 PHE H . . 4.850 4.424 3.910 4.832 . 0 0 "[ . 1 . 2]" 1
1457 1 78 ASN H 1 105 PHE HA . . 5.500 4.229 3.869 4.662 . 0 0 "[ . 1 . 2]" 1
1458 1 78 ASN H 1 106 GLU H . . 5.200 4.486 4.152 4.905 . 0 0 "[ . 1 . 2]" 1
1459 1 78 ASN H 1 106 GLU HA . . 3.810 3.062 2.669 3.590 . 0 0 "[ . 1 . 2]" 1
1460 1 78 ASN H 1 107 LEU H . . 5.020 4.327 3.643 4.740 . 0 0 "[ . 1 . 2]" 1
1461 1 78 ASN HA 1 78 ASN QD . . 4.380 3.430 2.056 4.016 . 0 0 "[ . 1 . 2]" 1
1462 1 78 ASN HA 1 78 ASN HD22 . . 5.070 4.368 3.413 5.070 0.000 5 0 "[ . 1 . 2]" 1
1463 1 78 ASN HA 1 79 THR H . . 3.300 2.671 2.617 2.821 . 0 0 "[ . 1 . 2]" 1
1464 1 78 ASN HA 1 103 THR MG . . 3.540 2.951 2.286 3.334 . 0 0 "[ . 1 . 2]" 1
1465 1 78 ASN QB 1 78 ASN QD . . 2.840 2.236 2.072 2.469 . 0 0 "[ . 1 . 2]" 1
1466 1 78 ASN QB 1 106 GLU HA . . 3.580 2.527 2.228 2.997 . 0 0 "[ . 1 . 2]" 1
1467 1 78 ASN QB 1 106 GLU QG . . 4.760 3.075 1.954 4.751 . 0 0 "[ . 1 . 2]" 1
1468 1 78 ASN HB2 1 106 GLU HA . . 4.210 2.981 2.242 4.183 . 0 0 "[ . 1 . 2]" 1
1469 1 78 ASN HB3 1 106 GLU HA . . 4.210 3.646 2.308 4.213 0.003 19 0 "[ . 1 . 2]" 1
1470 1 79 THR H 1 79 THR HB . . 3.210 2.868 2.674 3.110 . 0 0 "[ . 1 . 2]" 1
1471 1 79 THR H 1 79 THR HG1 . . 3.540 3.117 2.844 3.426 . 0 0 "[ . 1 . 2]" 1
1472 1 79 THR H 1 79 THR MG . . 4.320 3.929 3.804 4.018 . 0 0 "[ . 1 . 2]" 1
1473 1 79 THR H 1 81 TYR QE . . 4.920 4.542 3.938 4.844 . 0 0 "[ . 1 . 2]" 1
1474 1 79 THR H 1 103 THR HA . . 4.470 4.231 3.971 4.453 . 0 0 "[ . 1 . 2]" 1
1475 1 79 THR H 1 103 THR MG . . 3.650 3.094 2.666 3.508 . 0 0 "[ . 1 . 2]" 1
1476 1 79 THR H 1 104 THR H . . 3.700 3.311 2.886 3.581 . 0 0 "[ . 1 . 2]" 1
1477 1 79 THR H 1 104 THR HG1 . . 3.110 2.359 1.906 3.042 . 0 0 "[ . 1 . 2]" 1
1478 1 79 THR H 1 104 THR MG . . 4.640 4.321 3.812 4.638 . 0 0 "[ . 1 . 2]" 1
1479 1 79 THR HA 1 79 THR MG . . 3.300 2.349 2.097 2.534 . 0 0 "[ . 1 . 2]" 1
1480 1 79 THR HA 1 80 LEU H . . 2.840 2.188 2.143 2.315 . 0 0 "[ . 1 . 2]" 1
1481 1 79 THR HA 1 80 LEU QB . . 4.690 4.042 4.011 4.067 . 0 0 "[ . 1 . 2]" 1
1482 1 79 THR HA 1 103 THR MG . . 4.320 3.961 3.551 4.310 . 0 0 "[ . 1 . 2]" 1
1483 1 79 THR HB 1 80 LEU H . . 4.740 4.052 3.714 4.272 . 0 0 "[ . 1 . 2]" 1
1484 1 79 THR HB 1 81 TYR QE . . 3.240 2.172 2.001 2.315 . 0 0 "[ . 1 . 2]" 1
1485 1 79 THR HG1 1 81 TYR QE . . 4.670 3.977 3.204 4.554 . 0 0 "[ . 1 . 2]" 1
1486 1 79 THR MG 1 80 LEU H . . 3.400 2.333 1.931 2.814 . 0 0 "[ . 1 . 2]" 1
1487 1 79 THR MG 1 81 TYR QE . . 3.770 2.525 1.919 3.340 . 0 0 "[ . 1 . 2]" 1
1488 1 80 LEU H 1 80 LEU HB2 . . 3.460 2.490 2.174 2.922 . 0 0 "[ . 1 . 2]" 1
1489 1 80 LEU H 1 80 LEU QB . . 2.960 2.201 2.115 2.346 . 0 0 "[ . 1 . 2]" 1
1490 1 80 LEU H 1 80 LEU HB3 . . 3.460 2.598 2.242 2.895 . 0 0 "[ . 1 . 2]" 1
1491 1 80 LEU H 1 80 LEU MD1 . . 5.050 4.197 4.065 4.347 . 0 0 "[ . 1 . 2]" 1
1492 1 80 LEU H 1 80 LEU QD . . 4.280 3.620 3.416 3.819 . 0 0 "[ . 1 . 2]" 1
1493 1 80 LEU H 1 80 LEU MD2 . . 5.050 3.987 3.601 4.301 . 0 0 "[ . 1 . 2]" 1
1494 1 80 LEU H 1 80 LEU HG . . 4.660 4.459 4.152 4.634 . 0 0 "[ . 1 . 2]" 1
1495 1 80 LEU H 1 81 TYR H . . 4.960 4.539 4.400 4.588 . 0 0 "[ . 1 . 2]" 1
1496 1 80 LEU H 1 103 THR MG . . 4.380 3.971 3.293 4.362 . 0 0 "[ . 1 . 2]" 1
1497 1 80 LEU QB 1 80 LEU QD . . 2.630 1.957 1.851 2.045 . 0 0 "[ . 1 . 2]" 1
1498 1 80 LEU QD 1 81 TYR H . . 3.530 2.181 1.877 2.994 . 0 0 "[ . 1 . 2]" 1
1499 1 80 LEU QD 1 101 HIS H . . 5.440 4.949 4.589 5.446 0.006 11 0 "[ . 1 . 2]" 1
1500 1 80 LEU QD 1 101 HIS HA . . 4.150 3.284 2.876 3.672 . 0 0 "[ . 1 . 2]" 1
1501 1 80 LEU QD 1 101 HIS QB . . 2.970 2.253 1.875 2.814 . 0 0 "[ . 1 . 2]" 1
1502 1 80 LEU QD 1 101 HIS HD2 . . 3.550 2.515 1.982 3.370 . 0 0 "[ . 1 . 2]" 1
1503 1 80 LEU QD 1 102 GLY H . . 4.080 3.080 2.501 3.514 . 0 0 "[ . 1 . 2]" 1
1504 1 80 LEU QD 1 102 GLY HA2 . . 5.170 4.262 3.521 4.765 . 0 0 "[ . 1 . 2]" 1
1505 1 80 LEU QD 1 103 THR H . . 4.540 4.022 3.459 4.491 . 0 0 "[ . 1 . 2]" 1
1506 1 80 LEU QD 1 103 THR HA . . 3.930 3.471 3.004 3.853 . 0 0 "[ . 1 . 2]" 1
1507 1 80 LEU QD 1 103 THR HB . . 4.960 4.370 3.877 4.941 . 0 0 "[ . 1 . 2]" 1
1508 1 80 LEU MD1 1 101 HIS HD2 . . 4.050 2.673 1.988 3.770 . 0 0 "[ . 1 . 2]" 1
1509 1 80 LEU MD1 1 102 GLY H . . 5.500 3.335 2.507 5.230 . 0 0 "[ . 1 . 2]" 1
1510 1 80 LEU MD2 1 101 HIS HD2 . . 4.050 3.745 2.507 4.050 0.000 11 0 "[ . 1 . 2]" 1
1511 1 80 LEU MD2 1 102 GLY H . . 5.500 4.544 2.752 5.475 . 0 0 "[ . 1 . 2]" 1
1512 1 80 LEU HG 1 81 TYR H . . 4.670 3.882 2.991 4.671 0.001 7 0 "[ . 1 . 2]" 1
1513 1 81 TYR H 1 81 TYR HB2 . . 4.170 2.569 2.448 2.783 . 0 0 "[ . 1 . 2]" 1
1514 1 81 TYR H 1 81 TYR QB . . 3.430 2.520 2.412 2.714 . 0 0 "[ . 1 . 2]" 1
1515 1 81 TYR H 1 81 TYR HB3 . . 4.170 3.663 3.596 3.774 . 0 0 "[ . 1 . 2]" 1
1516 1 81 TYR H 1 101 HIS HA . . 5.230 4.557 4.208 4.883 . 0 0 "[ . 1 . 2]" 1
1517 1 81 TYR H 1 102 GLY H . . 3.940 3.301 3.051 3.699 . 0 0 "[ . 1 . 2]" 1
1518 1 81 TYR H 1 103 THR HA . . 3.800 3.573 3.070 3.792 . 0 0 "[ . 1 . 2]" 1
1519 1 81 TYR H 1 104 THR H . . 5.030 4.811 4.442 5.024 . 0 0 "[ . 1 . 2]" 1
1520 1 81 TYR QB 1 82 GLU H . . 3.470 2.756 2.464 3.169 . 0 0 "[ . 1 . 2]" 1
1521 1 81 TYR QB 1 83 PHE QE . . 3.460 2.902 2.359 3.339 . 0 0 "[ . 1 . 2]" 1
1522 1 81 TYR QB 1 102 GLY H . . 4.590 3.928 3.333 4.391 . 0 0 "[ . 1 . 2]" 1
1523 1 81 TYR HB2 1 82 GLU H . . 4.280 4.068 3.874 4.326 0.046 11 0 "[ . 1 . 2]" 1
1524 1 81 TYR HB2 1 83 PHE QE . . 4.040 3.395 2.558 3.853 . 0 0 "[ . 1 . 2]" 1
1525 1 81 TYR HB2 1 83 PHE HZ . . 4.070 3.363 2.690 4.036 . 0 0 "[ . 1 . 2]" 1
1526 1 81 TYR HB3 1 82 GLU H . . 4.280 2.805 2.492 3.259 . 0 0 "[ . 1 . 2]" 1
1527 1 81 TYR HB3 1 83 PHE QE . . 4.040 3.183 2.707 3.820 . 0 0 "[ . 1 . 2]" 1
1528 1 81 TYR HB3 1 83 PHE HZ . . 4.070 3.095 2.758 3.868 . 0 0 "[ . 1 . 2]" 1
1529 1 82 GLU H 1 82 GLU QB . . 3.400 2.400 2.262 2.991 . 0 0 "[ . 1 . 2]" 1
1530 1 82 GLU H 1 82 GLU HG2 . . 4.970 4.193 3.289 4.491 . 0 0 "[ . 1 . 2]" 1
1531 1 82 GLU H 1 82 GLU QG . . 4.350 3.473 2.101 4.084 . 0 0 "[ . 1 . 2]" 1
1532 1 82 GLU H 1 82 GLU HG3 . . 4.970 3.855 2.112 4.749 . 0 0 "[ . 1 . 2]" 1
1533 1 82 GLU H 1 83 PHE H . . 5.030 4.518 4.463 4.546 . 0 0 "[ . 1 . 2]" 1
1534 1 82 GLU HA 1 83 PHE H . . 3.050 2.299 2.205 2.515 . 0 0 "[ . 1 . 2]" 1
1535 1 82 GLU HA 1 83 PHE QD . . 4.720 3.875 2.774 4.511 . 0 0 "[ . 1 . 2]" 1
1536 1 82 GLU HA 1 99 THR MG . . 4.060 3.213 2.898 3.838 . 0 0 "[ . 1 . 2]" 1
1537 1 82 GLU HA 1 101 HIS HA . . 3.650 2.871 2.141 3.470 . 0 0 "[ . 1 . 2]" 1
1538 1 82 GLU HA 1 101 HIS HD2 . . 4.770 2.929 2.363 3.954 . 0 0 "[ . 1 . 2]" 1
1539 1 82 GLU HA 1 102 GLY H . . 4.580 3.877 2.968 4.380 . 0 0 "[ . 1 . 2]" 1
1540 1 82 GLU QB 1 82 GLU QG . . 2.340 2.030 1.974 2.086 . 0 0 "[ . 1 . 2]" 1
1541 1 82 GLU QB 1 83 PHE H . . 3.990 2.871 2.200 3.545 . 0 0 "[ . 1 . 2]" 1
1542 1 82 GLU QB 1 99 THR HB . . 5.340 4.908 3.501 5.342 0.002 18 0 "[ . 1 . 2]" 1
1543 1 82 GLU QB 1 99 THR MG . . 3.130 2.429 1.795 2.970 . 0 0 "[ . 1 . 2]" 1
1544 1 82 GLU QB 1 101 HIS HD2 . . 4.200 3.463 2.065 4.193 . 0 0 "[ . 1 . 2]" 1
1545 1 82 GLU QG 1 83 PHE H . . 4.460 3.203 1.934 4.184 . 0 0 "[ . 1 . 2]" 1
1546 1 82 GLU QG 1 99 THR HB . . 4.290 4.184 3.854 4.296 0.006 18 0 "[ . 1 . 2]" 1
1547 1 82 GLU QG 1 99 THR MG . . 3.530 2.029 1.700 2.267 . 0 0 "[ . 1 . 2]" 1
1548 1 82 GLU QG 1 101 HIS HD2 . . 4.850 2.993 1.898 4.632 . 0 0 "[ . 1 . 2]" 1
1549 1 82 GLU HG2 1 83 PHE H . . 5.300 3.689 1.941 4.963 . 0 0 "[ . 1 . 2]" 1
1550 1 82 GLU HG3 1 83 PHE H . . 5.300 4.045 2.255 4.724 . 0 0 "[ . 1 . 2]" 1
1551 1 83 PHE H 1 83 PHE HB2 . . 3.700 2.850 2.683 2.991 . 0 0 "[ . 1 . 2]" 1
1552 1 83 PHE H 1 83 PHE QD . . 3.790 3.450 2.825 3.788 . 0 0 "[ . 1 . 2]" 1
1553 1 83 PHE H 1 83 PHE QE . . 5.500 5.161 4.782 5.470 . 0 0 "[ . 1 . 2]" 1
1554 1 83 PHE H 1 99 THR MG . . 3.730 2.421 2.026 3.176 . 0 0 "[ . 1 . 2]" 1
1555 1 83 PHE H 1 100 ALA H . . 3.730 3.207 2.857 3.524 . 0 0 "[ . 1 . 2]" 1
1556 1 83 PHE H 1 100 ALA MB . . 4.650 3.810 3.085 4.281 . 0 0 "[ . 1 . 2]" 1
1557 1 83 PHE H 1 101 HIS HA . . 4.390 3.945 3.635 4.257 . 0 0 "[ . 1 . 2]" 1
1558 1 83 PHE H 1 101 HIS HD2 . . 5.500 4.659 3.974 5.490 . 0 0 "[ . 1 . 2]" 1
1559 1 83 PHE H 1 102 GLY H . . 5.280 5.138 4.892 5.281 0.001 13 0 "[ . 1 . 2]" 1
1560 1 83 PHE HA 1 83 PHE QD . . 3.680 2.552 2.113 3.127 . 0 0 "[ . 1 . 2]" 1
1561 1 83 PHE HA 1 84 SER H . . 2.890 2.175 2.139 2.303 . 0 0 "[ . 1 . 2]" 1
1562 1 83 PHE HA 1 99 THR MG . . 5.010 4.293 3.952 4.809 . 0 0 "[ . 1 . 2]" 1
1563 1 83 PHE HB2 1 84 SER H . . 4.370 4.113 3.712 4.300 . 0 0 "[ . 1 . 2]" 1
1564 1 83 PHE HB2 1 100 ALA H . . 4.460 3.565 3.169 4.165 . 0 0 "[ . 1 . 2]" 1
1565 1 83 PHE HB2 1 100 ALA MB . . 3.620 2.632 2.373 2.977 . 0 0 "[ . 1 . 2]" 1
1566 1 83 PHE HB3 1 84 SER H . . 3.890 3.199 2.706 3.456 . 0 0 "[ . 1 . 2]" 1
1567 1 83 PHE HB3 1 100 ALA MB . . 4.460 3.884 3.168 4.464 0.004 11 0 "[ . 1 . 2]" 1
1568 1 83 PHE QD 1 84 SER H . . 4.390 3.991 3.484 4.342 . 0 0 "[ . 1 . 2]" 1
1569 1 83 PHE QD 1 100 ALA H . . 5.360 4.888 4.516 5.307 . 0 0 "[ . 1 . 2]" 1
1570 1 83 PHE QD 1 100 ALA MB . . 4.070 3.312 2.616 3.656 . 0 0 "[ . 1 . 2]" 1
1571 1 83 PHE QD 1 101 HIS HA . . 4.150 3.935 3.640 4.128 . 0 0 "[ . 1 . 2]" 1
1572 1 83 PHE QD 1 102 GLY H . . 4.440 3.584 3.245 4.313 . 0 0 "[ . 1 . 2]" 1
1573 1 83 PHE QE 1 102 GLY H . . 3.940 3.373 2.791 3.888 . 0 0 "[ . 1 . 2]" 1
1574 1 83 PHE QE 1 102 GLY HA3 . . 4.410 3.001 2.019 3.831 . 0 0 "[ . 1 . 2]" 1
1575 1 84 SER H 1 85 VAL HA . . 5.080 4.727 4.583 4.872 . 0 0 "[ . 1 . 2]" 1
1576 1 84 SER H 1 85 VAL MG2 . . 5.100 3.886 3.678 4.130 . 0 0 "[ . 1 . 2]" 1
1577 1 84 SER HA 1 85 VAL H . . 3.150 2.277 2.146 2.403 . 0 0 "[ . 1 . 2]" 1
1578 1 84 SER HA 1 85 VAL MG2 . . 4.030 3.272 3.056 3.499 . 0 0 "[ . 1 . 2]" 1
1579 1 84 SER HA 1 97 SER HG . . 3.910 3.074 2.580 3.506 . 0 0 "[ . 1 . 2]" 1
1580 1 84 SER HA 1 99 THR MG . . 4.600 4.326 4.036 4.588 . 0 0 "[ . 1 . 2]" 1
1581 1 84 SER QB 1 85 VAL H . . 3.450 2.954 2.414 3.449 . 0 0 "[ . 1 . 2]" 1
1582 1 84 SER QB 1 85 VAL MG2 . . 5.340 4.318 4.061 4.483 . 0 0 "[ . 1 . 2]" 1
1583 1 84 SER QB 1 96 TRP HB2 . . 4.800 4.279 3.713 4.786 . 0 0 "[ . 1 . 2]" 1
1584 1 84 SER QB 1 96 TRP HB3 . . 3.990 2.711 2.073 3.326 . 0 0 "[ . 1 . 2]" 1
1585 1 84 SER QB 1 96 TRP HE3 . . 3.960 2.342 1.922 2.668 . 0 0 "[ . 1 . 2]" 1
1586 1 84 SER QB 1 97 SER H . . 4.590 3.961 3.385 4.577 . 0 0 "[ . 1 . 2]" 1
1587 1 84 SER QB 1 97 SER HG . . 4.160 3.596 2.995 4.150 . 0 0 "[ . 1 . 2]" 1
1588 1 84 SER QB 1 99 THR MG . . 4.380 3.615 2.587 4.348 . 0 0 "[ . 1 . 2]" 1
1589 1 84 SER HB2 1 96 TRP HB3 . . 4.760 3.552 2.325 4.028 . 0 0 "[ . 1 . 2]" 1
1590 1 84 SER HB2 1 96 TRP HE3 . . 4.680 3.230 2.295 4.138 . 0 0 "[ . 1 . 2]" 1
1591 1 84 SER HB2 1 99 THR MG . . 4.990 4.015 2.612 4.913 . 0 0 "[ . 1 . 2]" 1
1592 1 84 SER HB3 1 96 TRP HB3 . . 4.760 2.911 2.099 3.602 . 0 0 "[ . 1 . 2]" 1
1593 1 84 SER HB3 1 96 TRP HE3 . . 4.680 2.571 2.052 4.029 . 0 0 "[ . 1 . 2]" 1
1594 1 84 SER HB3 1 99 THR MG . . 4.990 4.463 3.082 4.942 . 0 0 "[ . 1 . 2]" 1
1595 1 85 VAL H 1 85 VAL HB . . 3.660 2.840 2.673 2.989 . 0 0 "[ . 1 . 2]" 1
1596 1 85 VAL H 1 85 VAL MG1 . . 4.480 3.923 3.856 3.983 . 0 0 "[ . 1 . 2]" 1
1597 1 85 VAL H 1 85 VAL MG2 . . 3.780 2.617 2.258 2.824 . 0 0 "[ . 1 . 2]" 1
1598 1 85 VAL H 1 96 TRP HE3 . . 4.270 3.576 3.049 4.229 . 0 0 "[ . 1 . 2]" 1
1599 1 85 VAL H 1 97 SER H . . 3.830 3.538 2.932 3.834 0.004 17 0 "[ . 1 . 2]" 1
1600 1 85 VAL H 1 97 SER HB2 . . 4.910 4.420 4.013 4.782 . 0 0 "[ . 1 . 2]" 1
1601 1 85 VAL H 1 97 SER HB3 . . 4.600 4.076 3.672 4.490 . 0 0 "[ . 1 . 2]" 1
1602 1 85 VAL H 1 97 SER HG . . 3.630 2.248 1.991 2.589 . 0 0 "[ . 1 . 2]" 1
1603 1 85 VAL HA 1 85 VAL MG1 . . 3.470 2.296 2.170 2.376 . 0 0 "[ . 1 . 2]" 1
1604 1 85 VAL HA 1 85 VAL MG2 . . 3.630 2.495 2.415 2.578 . 0 0 "[ . 1 . 2]" 1
1605 1 85 VAL HA 1 86 MET H . . 2.990 2.194 2.143 2.259 . 0 0 "[ . 1 . 2]" 1
1606 1 85 VAL HA 1 96 TRP HE3 . . 4.290 3.925 3.629 4.288 . 0 0 "[ . 1 . 2]" 1
1607 1 85 VAL HA 1 96 TRP HZ3 . . 3.810 3.164 2.523 3.745 . 0 0 "[ . 1 . 2]" 1
1608 1 85 VAL HB 1 86 MET H . . 4.560 3.894 3.599 4.101 . 0 0 "[ . 1 . 2]" 1
1609 1 85 VAL HB 1 97 SER H . . 5.500 4.913 4.673 5.343 . 0 0 "[ . 1 . 2]" 1
1610 1 85 VAL HB 1 97 SER HB3 . . 4.660 4.262 3.886 4.595 . 0 0 "[ . 1 . 2]" 1
1611 1 85 VAL MG1 1 86 MET H . . 3.440 2.179 1.964 2.553 . 0 0 "[ . 1 . 2]" 1
1612 1 85 VAL MG1 1 86 MET HA . . 4.610 3.722 3.519 3.986 . 0 0 "[ . 1 . 2]" 1
1613 1 85 VAL MG2 1 86 MET H . . 4.370 4.122 4.035 4.240 . 0 0 "[ . 1 . 2]" 1
1614 1 85 VAL MG2 1 97 SER HB3 . . 5.500 5.120 4.616 5.389 . 0 0 "[ . 1 . 2]" 1
1615 1 85 VAL MG2 1 97 SER HG . . 4.800 3.975 3.421 4.260 . 0 0 "[ . 1 . 2]" 1
1616 1 86 MET H 1 86 MET HB3 . . 4.110 3.088 2.840 3.329 . 0 0 "[ . 1 . 2]" 1
1617 1 86 MET H 1 86 MET HG2 . . 3.960 3.090 2.312 3.897 . 0 0 "[ . 1 . 2]" 1
1618 1 86 MET H 1 86 MET HG3 . . 3.430 2.977 2.538 3.384 . 0 0 "[ . 1 . 2]" 1
1619 1 86 MET H 1 96 TRP HE3 . . 4.760 4.153 3.830 4.337 . 0 0 "[ . 1 . 2]" 1
1620 1 86 MET H 1 96 TRP HZ3 . . 3.960 3.164 2.587 3.761 . 0 0 "[ . 1 . 2]" 1
1621 1 86 MET HA 1 86 MET ME . . 4.570 4.338 3.966 4.570 . 0 0 "[ . 1 . 2]" 1
1622 1 86 MET HA 1 87 VAL H . . 3.210 2.331 2.260 2.410 . 0 0 "[ . 1 . 2]" 1
1623 1 86 MET HA 1 87 VAL MG1 . . 4.470 3.692 3.310 3.816 . 0 0 "[ . 1 . 2]" 1
1624 1 86 MET HA 1 94 SER HG . . 4.120 3.147 2.792 3.592 . 0 0 "[ . 1 . 2]" 1
1625 1 86 MET HA 1 97 SER H . . 4.200 3.908 3.616 4.121 . 0 0 "[ . 1 . 2]" 1
1626 1 86 MET HB2 1 86 MET ME . . 3.320 2.398 2.022 2.755 . 0 0 "[ . 1 . 2]" 1
1627 1 86 MET HB2 1 87 VAL H . . 3.340 2.707 2.472 2.914 . 0 0 "[ . 1 . 2]" 1
1628 1 86 MET HB2 1 94 SER HG . . 4.400 3.013 2.495 3.458 . 0 0 "[ . 1 . 2]" 1
1629 1 86 MET HB2 1 96 TRP HA . . 4.370 3.806 3.527 4.255 . 0 0 "[ . 1 . 2]" 1
1630 1 86 MET HB3 1 86 MET ME . . 3.720 3.402 3.076 3.640 . 0 0 "[ . 1 . 2]" 1
1631 1 86 MET HB3 1 87 VAL H . . 4.300 3.993 3.721 4.152 . 0 0 "[ . 1 . 2]" 1
1632 1 86 MET HB3 1 94 SER HG . . 4.620 4.260 3.675 4.620 . 0 0 "[ . 1 . 2]" 1
1633 1 86 MET HB3 1 96 TRP HA . . 3.720 2.902 2.547 3.225 . 0 0 "[ . 1 . 2]" 1
1634 1 86 MET HB3 1 96 TRP HE3 . . 4.510 2.724 2.223 3.273 . 0 0 "[ . 1 . 2]" 1
1635 1 86 MET HB3 1 97 SER H . . 4.560 3.952 3.438 4.415 . 0 0 "[ . 1 . 2]" 1
1636 1 86 MET ME 1 87 VAL H . . 4.110 3.727 3.375 4.056 . 0 0 "[ . 1 . 2]" 1
1637 1 86 MET ME 1 88 THR HA . . 4.400 4.054 3.775 4.323 . 0 0 "[ . 1 . 2]" 1
1638 1 86 MET ME 1 88 THR MG . . 4.100 3.740 3.465 4.034 . 0 0 "[ . 1 . 2]" 1
1639 1 86 MET ME 1 93 SER HA . . 4.210 3.748 3.174 4.192 . 0 0 "[ . 1 . 2]" 1
1640 1 86 MET ME 1 93 SER HB2 . . 3.530 2.364 1.819 3.333 . 0 0 "[ . 1 . 2]" 1
1641 1 86 MET ME 1 93 SER QB . . 2.850 2.235 1.800 2.835 . 0 0 "[ . 1 . 2]" 1
1642 1 86 MET ME 1 93 SER HB3 . . 3.530 3.195 1.993 3.490 . 0 0 "[ . 1 . 2]" 1
1643 1 86 MET ME 1 94 SER H . . 3.720 2.833 2.152 3.366 . 0 0 "[ . 1 . 2]" 1
1644 1 86 MET ME 1 96 TRP HE1 . . 5.030 4.850 4.464 5.034 0.004 17 0 "[ . 1 . 2]" 1
1645 1 86 MET ME 1 96 TRP HZ2 . . 4.690 4.230 3.813 4.647 . 0 0 "[ . 1 . 2]" 1
1646 1 86 MET HG3 1 87 VAL H . . 3.990 3.801 3.565 4.000 0.010 17 0 "[ . 1 . 2]" 1
1647 1 86 MET HG3 1 96 TRP HE3 . . 5.330 5.028 4.406 5.327 . 0 0 "[ . 1 . 2]" 1
1648 1 86 MET HG3 1 96 TRP HZ3 . . 4.750 3.822 2.751 4.513 . 0 0 "[ . 1 . 2]" 1
1649 1 87 VAL H 1 87 VAL MG1 . . 3.150 2.140 2.007 2.287 . 0 0 "[ . 1 . 2]" 1
1650 1 87 VAL H 1 87 VAL MG2 . . 4.740 3.851 3.788 3.908 . 0 0 "[ . 1 . 2]" 1
1651 1 87 VAL H 1 93 SER HA . . 5.500 5.106 4.819 5.372 . 0 0 "[ . 1 . 2]" 1
1652 1 87 VAL H 1 94 SER H . . 3.720 3.479 3.088 3.717 . 0 0 "[ . 1 . 2]" 1
1653 1 87 VAL H 1 94 SER HB3 . . 4.300 3.915 3.505 4.289 . 0 0 "[ . 1 . 2]" 1
1654 1 87 VAL H 1 94 SER HG . . 3.510 2.571 2.246 3.166 . 0 0 "[ . 1 . 2]" 1
1655 1 87 VAL MG1 1 88 THR H . . 4.150 3.826 3.545 4.028 . 0 0 "[ . 1 . 2]" 1
1656 1 87 VAL MG1 1 94 SER H . . 3.720 3.225 2.729 3.557 . 0 0 "[ . 1 . 2]" 1
1657 1 87 VAL MG1 1 94 SER HB2 . . 4.060 3.523 3.231 3.895 . 0 0 "[ . 1 . 2]" 1
1658 1 87 VAL MG1 1 94 SER HB3 . . 3.340 2.547 2.184 2.967 . 0 0 "[ . 1 . 2]" 1
1659 1 87 VAL MG1 1 94 SER HG . . 4.190 2.991 2.730 3.321 . 0 0 "[ . 1 . 2]" 1
1660 1 87 VAL MG2 1 88 THR H . . 3.180 2.105 1.900 2.377 . 0 0 "[ . 1 . 2]" 1
1661 1 87 VAL MG2 1 94 SER H . . 5.350 4.898 4.548 5.157 . 0 0 "[ . 1 . 2]" 1
1662 1 88 THR H 1 88 THR HB . . 3.400 2.747 2.627 2.823 . 0 0 "[ . 1 . 2]" 1
1663 1 88 THR H 1 88 THR MG . . 4.510 3.876 3.779 3.935 . 0 0 "[ . 1 . 2]" 1
1664 1 88 THR H 1 89 LYS H . . 4.670 4.319 4.160 4.478 . 0 0 "[ . 1 . 2]" 1
1665 1 88 THR HA 1 88 THR MG . . 3.420 2.395 2.243 2.503 . 0 0 "[ . 1 . 2]" 1
1666 1 88 THR HA 1 89 LYS H . . 2.770 2.183 2.141 2.263 . 0 0 "[ . 1 . 2]" 1
1667 1 88 THR HA 1 93 SER H . . 4.980 4.711 4.237 4.936 . 0 0 "[ . 1 . 2]" 1
1668 1 88 THR HA 1 93 SER HA . . 3.330 2.226 2.045 2.591 . 0 0 "[ . 1 . 2]" 1
1669 1 88 THR HA 1 93 SER HB2 . . 4.380 3.789 2.627 4.381 0.001 14 0 "[ . 1 . 2]" 1
1670 1 88 THR HA 1 93 SER QB . . 3.760 3.154 2.603 3.712 . 0 0 "[ . 1 . 2]" 1
1671 1 88 THR HA 1 93 SER HB3 . . 4.380 3.495 2.887 4.263 . 0 0 "[ . 1 . 2]" 1
1672 1 88 THR HA 1 94 SER H . . 4.050 3.718 3.198 4.042 . 0 0 "[ . 1 . 2]" 1
1673 1 88 THR HB 1 89 LYS H . . 4.360 4.109 3.891 4.355 . 0 0 "[ . 1 . 2]" 1
1674 1 88 THR MG 1 89 LYS H . . 3.190 2.242 1.897 2.607 . 0 0 "[ . 1 . 2]" 1
1675 1 88 THR MG 1 89 LYS HA . . 4.440 3.569 3.071 3.904 . 0 0 "[ . 1 . 2]" 1
1676 1 88 THR MG 1 91 ARG HA . . 4.650 4.504 4.142 4.654 0.004 7 0 "[ . 1 . 2]" 1
1677 1 88 THR MG 1 92 ARG H . . 4.150 3.734 2.882 4.145 . 0 0 "[ . 1 . 2]" 1
1678 1 88 THR MG 1 93 SER HA . . 4.140 3.367 2.795 3.632 . 0 0 "[ . 1 . 2]" 1
1679 1 88 THR MG 1 93 SER HB2 . . 4.530 3.624 2.484 4.407 . 0 0 "[ . 1 . 2]" 1
1680 1 88 THR MG 1 93 SER QB . . 3.760 2.555 1.991 3.396 . 0 0 "[ . 1 . 2]" 1
1681 1 88 THR MG 1 93 SER HB3 . . 4.530 2.742 2.010 4.104 . 0 0 "[ . 1 . 2]" 1
1682 1 89 LYS H 1 89 LYS QB . . 3.560 2.604 2.252 3.028 . 0 0 "[ . 1 . 2]" 1
1683 1 89 LYS H 1 92 ARG H . . 3.890 3.500 2.914 3.880 . 0 0 "[ . 1 . 2]" 1
1684 1 89 LYS H 1 93 SER HA . . 3.720 3.316 3.029 3.708 . 0 0 "[ . 1 . 2]" 1
1685 1 89 LYS H 1 93 SER QB . . 4.690 4.111 3.721 4.604 . 0 0 "[ . 1 . 2]" 1
1686 1 89 LYS HA 1 89 LYS HD2 . . 5.500 4.332 2.302 5.513 0.013 11 0 "[ . 1 . 2]" 1
1687 1 89 LYS HA 1 89 LYS HD3 . . 5.500 4.154 2.034 4.900 . 0 0 "[ . 1 . 2]" 1
1688 1 89 LYS HA 1 89 LYS HG2 . . 4.210 2.969 2.205 3.871 . 0 0 "[ . 1 . 2]" 1
1689 1 89 LYS HA 1 89 LYS QG . . 3.570 2.516 2.167 3.343 . 0 0 "[ . 1 . 2]" 1
1690 1 89 LYS HA 1 89 LYS HG3 . . 4.210 2.951 2.204 3.719 . 0 0 "[ . 1 . 2]" 1
1691 1 89 LYS HA 1 91 ARG H . . 5.500 5.101 3.687 5.471 . 0 0 "[ . 1 . 2]" 1
1692 1 89 LYS QB 1 89 LYS QD . . 3.100 2.170 2.041 2.507 . 0 0 "[ . 1 . 2]" 1
1693 1 89 LYS QB 1 89 LYS QE . . 3.750 2.660 2.050 3.751 0.001 2 0 "[ . 1 . 2]" 1
1694 1 90 GLY H 1 92 ARG H . . 4.900 4.496 4.007 4.865 . 0 0 "[ . 1 . 2]" 1
1695 1 90 GLY QA 1 92 ARG H . . 4.080 3.844 3.513 4.082 0.002 1 0 "[ . 1 . 2]" 1
1696 1 91 ARG HA 1 91 ARG QD . . 4.170 3.636 2.007 4.172 0.002 14 0 "[ . 1 . 2]" 1
1697 1 91 ARG HA 1 91 ARG QG . . 3.130 2.403 2.162 2.795 . 0 0 "[ . 1 . 2]" 1
1698 1 91 ARG QB 1 91 ARG QD . . 3.340 2.198 2.118 2.378 . 0 0 "[ . 1 . 2]" 1
1699 1 92 ARG H 1 92 ARG QB . . 3.090 2.532 2.208 3.044 . 0 0 "[ . 1 . 2]" 1
1700 1 92 ARG H 1 92 ARG QD . . 5.160 3.937 1.922 4.848 . 0 0 "[ . 1 . 2]" 1
1701 1 92 ARG H 1 92 ARG QG . . 3.100 2.824 1.960 3.101 0.001 7 0 "[ . 1 . 2]" 1
1702 1 92 ARG H 1 93 SER H . . 4.620 4.513 4.376 4.600 . 0 0 "[ . 1 . 2]" 1
1703 1 92 ARG HA 1 92 ARG HG2 . . 4.230 2.891 2.194 3.731 . 0 0 "[ . 1 . 2]" 1
1704 1 92 ARG HA 1 92 ARG HG3 . . 4.230 3.391 2.408 4.240 0.010 5 0 "[ . 1 . 2]" 1
1705 1 92 ARG HA 1 93 SER H . . 2.690 2.402 2.194 2.586 . 0 0 "[ . 1 . 2]" 1
1706 1 92 ARG QB 1 92 ARG QD . . 3.210 2.174 2.037 2.472 . 0 0 "[ . 1 . 2]" 1
1707 1 92 ARG QB 1 93 SER H . . 3.390 2.442 2.053 3.018 . 0 0 "[ . 1 . 2]" 1
1708 1 92 ARG QD 1 93 SER H . . 5.340 4.049 2.913 5.051 . 0 0 "[ . 1 . 2]" 1
1709 1 92 ARG QG 1 93 SER H . . 4.750 3.884 2.644 4.376 . 0 0 "[ . 1 . 2]" 1
1710 1 93 SER H 1 93 SER HB2 . . 4.000 3.883 3.061 4.010 0.010 17 0 "[ . 1 . 2]" 1
1711 1 93 SER H 1 93 SER HB3 . . 4.000 3.485 2.888 4.009 0.009 14 0 "[ . 1 . 2]" 1
1712 1 93 SER H 1 94 SER H . . 4.740 4.313 4.125 4.401 . 0 0 "[ . 1 . 2]" 1
1713 1 93 SER H 1 94 SER HB3 . . 5.500 5.407 5.084 5.501 0.001 1 0 "[ . 1 . 2]" 1
1714 1 93 SER HA 1 94 SER H . . 2.990 2.369 2.189 2.625 . 0 0 "[ . 1 . 2]" 1
1715 1 93 SER QB 1 94 SER H . . 3.260 2.610 1.995 3.154 . 0 0 "[ . 1 . 2]" 1
1716 1 93 SER HB2 1 94 SER H . . 3.980 2.759 2.006 3.683 . 0 0 "[ . 1 . 2]" 1
1717 1 93 SER HB3 1 94 SER H . . 3.980 3.714 2.591 3.983 0.003 17 0 "[ . 1 . 2]" 1
1718 1 94 SER H 1 94 SER HB3 . . 3.660 2.875 2.540 3.128 . 0 0 "[ . 1 . 2]" 1
1719 1 94 SER H 1 94 SER HG . . 4.240 3.119 2.250 3.526 . 0 0 "[ . 1 . 2]" 1
1720 1 94 SER HB2 1 95 THR H . . 3.230 2.649 2.168 3.121 . 0 0 "[ . 1 . 2]" 1
1721 1 94 SER HB3 1 95 THR H . . 4.250 3.956 3.668 4.227 . 0 0 "[ . 1 . 2]" 1
1722 1 94 SER HG 1 95 THR H . . 3.840 3.527 2.867 3.825 . 0 0 "[ . 1 . 2]" 1
1723 1 95 THR H 1 95 THR HB . . 3.680 2.590 2.347 3.623 . 0 0 "[ . 1 . 2]" 1
1724 1 95 THR H 1 95 THR MG . . 3.180 2.176 1.916 2.448 . 0 0 "[ . 1 . 2]" 1
1725 1 95 THR HA 1 95 THR MG . . 3.370 3.155 2.329 3.206 . 0 0 "[ . 1 . 2]" 1
1726 1 95 THR HA 1 96 TRP H . . 3.010 2.528 2.395 2.650 . 0 0 "[ . 1 . 2]" 1
1727 1 95 THR HA 1 96 TRP HD1 . . 5.020 4.545 3.988 4.948 . 0 0 "[ . 1 . 2]" 1
1728 1 95 THR HB 1 96 TRP H . . 3.710 3.575 1.966 3.709 . 0 0 "[ . 1 . 2]" 1
1729 1 95 THR MG 1 96 TRP H . . 3.650 3.101 2.618 3.600 . 0 0 "[ . 1 . 2]" 1
1730 1 95 THR MG 1 96 TRP HA . . 5.500 4.170 3.741 5.529 0.029 20 0 "[ . 1 . 2]" 1
1731 1 96 TRP H 1 96 TRP HB2 . . 3.100 2.376 2.296 2.504 . 0 0 "[ . 1 . 2]" 1
1732 1 96 TRP H 1 96 TRP HB3 . . 3.830 3.595 3.562 3.667 . 0 0 "[ . 1 . 2]" 1
1733 1 96 TRP H 1 96 TRP HD1 . . 3.390 3.098 2.836 3.342 . 0 0 "[ . 1 . 2]" 1
1734 1 96 TRP H 1 96 TRP HE1 . . 5.290 5.065 4.842 5.273 . 0 0 "[ . 1 . 2]" 1
1735 1 96 TRP H 1 97 SER H . . 4.930 4.414 4.278 4.535 . 0 0 "[ . 1 . 2]" 1
1736 1 96 TRP HA 1 96 TRP HE3 . . 3.850 2.574 2.192 2.918 . 0 0 "[ . 1 . 2]" 1
1737 1 96 TRP HA 1 97 SER H . . 2.890 2.148 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
1738 1 96 TRP HB2 1 96 TRP HD1 . . 3.740 2.568 2.547 2.619 . 0 0 "[ . 1 . 2]" 1
1739 1 96 TRP HB2 1 97 SER H . . 4.540 4.385 4.207 4.496 . 0 0 "[ . 1 . 2]" 1
1740 1 96 TRP HB3 1 96 TRP HE3 . . 3.760 2.817 2.654 2.993 . 0 0 "[ . 1 . 2]" 1
1741 1 96 TRP HB3 1 97 SER H . . 3.940 3.552 3.229 3.773 . 0 0 "[ . 1 . 2]" 1
1742 1 96 TRP HE3 1 97 SER H . . 4.160 3.504 3.177 4.151 . 0 0 "[ . 1 . 2]" 1
1743 1 97 SER H 1 97 SER HB3 . . 3.300 2.532 2.380 2.720 . 0 0 "[ . 1 . 2]" 1
1744 1 97 SER H 1 97 SER HG . . 4.320 2.756 2.260 3.317 . 0 0 "[ . 1 . 2]" 1
1745 1 97 SER H 1 98 MET H . . 4.640 4.626 4.600 4.648 0.008 11 0 "[ . 1 . 2]" 1
1746 1 97 SER HA 1 98 MET H . . 3.170 2.467 2.396 2.550 . 0 0 "[ . 1 . 2]" 1
1747 1 97 SER HB2 1 98 MET H . . 3.270 2.318 2.166 2.455 . 0 0 "[ . 1 . 2]" 1
1748 1 97 SER HB2 1 98 MET HG2 . . 5.070 2.989 2.742 3.222 . 0 0 "[ . 1 . 2]" 1
1749 1 97 SER HB2 1 98 MET QG . . 4.400 2.904 2.699 3.095 . 0 0 "[ . 1 . 2]" 1
1750 1 97 SER HB2 1 98 MET HG3 . . 5.070 4.119 3.539 4.834 . 0 0 "[ . 1 . 2]" 1
1751 1 97 SER HB3 1 98 MET H . . 3.770 3.696 3.466 3.771 0.001 7 0 "[ . 1 . 2]" 1
1752 1 97 SER HG 1 98 MET H . . 3.880 3.712 3.390 3.880 0.000 18 0 "[ . 1 . 2]" 1
1753 1 98 MET H 1 98 MET HB2 . . 4.000 3.593 3.575 3.606 . 0 0 "[ . 1 . 2]" 1
1754 1 98 MET H 1 98 MET HB3 . . 3.280 2.599 2.435 2.752 . 0 0 "[ . 1 . 2]" 1
1755 1 98 MET H 1 98 MET HG2 . . 3.810 2.069 1.901 2.392 . 0 0 "[ . 1 . 2]" 1
1756 1 98 MET H 1 98 MET QG . . 3.330 2.046 1.875 2.367 . 0 0 "[ . 1 . 2]" 1
1757 1 98 MET H 1 98 MET HG3 . . 3.810 3.288 2.857 3.777 . 0 0 "[ . 1 . 2]" 1
1758 1 98 MET HA 1 98 MET ME . . 4.600 4.431 3.953 4.579 . 0 0 "[ . 1 . 2]" 1
1759 1 98 MET HA 1 99 THR H . . 2.750 2.150 2.140 2.183 . 0 0 "[ . 1 . 2]" 1
1760 1 98 MET HA 1 99 THR HB . . 5.120 4.765 4.439 5.012 . 0 0 "[ . 1 . 2]" 1
1761 1 98 MET HB2 1 99 THR H . . 3.700 3.473 3.104 3.693 . 0 0 "[ . 1 . 2]" 1
1762 1 98 MET QG 1 99 THR H . . 4.720 4.308 4.114 4.482 . 0 0 "[ . 1 . 2]" 1
1763 1 99 THR H 1 99 THR HB . . 3.170 2.680 2.326 2.928 . 0 0 "[ . 1 . 2]" 1
1764 1 99 THR H 1 99 THR MG . . 3.900 3.749 3.673 3.791 . 0 0 "[ . 1 . 2]" 1
1765 1 99 THR H 1 100 ALA H . . 5.000 4.434 4.315 4.557 . 0 0 "[ . 1 . 2]" 1
1766 1 99 THR HB 1 100 ALA H . . 4.400 4.239 4.003 4.336 . 0 0 "[ . 1 . 2]" 1
1767 1 99 THR HB 1 101 HIS HE1 . . 4.850 3.923 2.722 4.718 . 0 0 "[ . 1 . 2]" 1
1768 1 99 THR MG 1 100 ALA H . . 3.670 2.838 2.375 3.121 . 0 0 "[ . 1 . 2]" 1
1769 1 99 THR MG 1 101 HIS HA . . 5.330 4.110 3.783 4.489 . 0 0 "[ . 1 . 2]" 1
1770 1 99 THR MG 1 101 HIS HD2 . . 4.410 3.559 2.844 4.231 . 0 0 "[ . 1 . 2]" 1
1771 1 99 THR MG 1 101 HIS HE1 . . 4.260 3.879 2.989 4.254 . 0 0 "[ . 1 . 2]" 1
1772 1 100 ALA H 1 100 ALA MB . . 3.460 2.258 2.116 2.349 . 0 0 "[ . 1 . 2]" 1
1773 1 100 ALA MB 1 101 HIS H . . 3.360 3.230 3.110 3.327 . 0 0 "[ . 1 . 2]" 1
1774 1 100 ALA MB 1 101 HIS HA . . 4.700 4.276 4.225 4.321 . 0 0 "[ . 1 . 2]" 1
1775 1 101 HIS H 1 101 HIS HB2 . . 3.860 2.405 2.286 2.556 . 0 0 "[ . 1 . 2]" 1
1776 1 101 HIS H 1 101 HIS QB . . 3.120 2.371 2.260 2.510 . 0 0 "[ . 1 . 2]" 1
1777 1 101 HIS H 1 101 HIS HB3 . . 3.860 3.622 3.558 3.662 . 0 0 "[ . 1 . 2]" 1
1778 1 101 HIS HA 1 101 HIS HD2 . . 4.160 2.731 2.273 3.147 . 0 0 "[ . 1 . 2]" 1
1779 1 101 HIS HA 1 102 GLY H . . 2.970 2.166 2.144 2.219 . 0 0 "[ . 1 . 2]" 1
1780 1 101 HIS QB 1 102 GLY H . . 3.690 3.184 2.901 3.445 . 0 0 "[ . 1 . 2]" 1
1781 1 101 HIS HB2 1 102 GLY H . . 4.540 4.253 4.045 4.465 . 0 0 "[ . 1 . 2]" 1
1782 1 101 HIS HB3 1 102 GLY H . . 4.540 3.290 2.972 3.583 . 0 0 "[ . 1 . 2]" 1
1783 1 102 GLY H 1 103 THR H . . 4.760 4.190 3.991 4.345 . 0 0 "[ . 1 . 2]" 1
1784 1 102 GLY HA2 1 103 THR H . . 2.930 2.142 2.136 2.154 . 0 0 "[ . 1 . 2]" 1
1785 1 102 GLY HA3 1 103 THR H . . 3.320 3.253 3.147 3.325 0.005 18 0 "[ . 1 . 2]" 1
1786 1 103 THR H 1 103 THR HB . . 3.100 2.623 2.511 2.817 . 0 0 "[ . 1 . 2]" 1
1787 1 103 THR H 1 103 THR MG . . 4.110 3.822 3.791 3.866 . 0 0 "[ . 1 . 2]" 1
1788 1 103 THR HA 1 103 THR MG . . 3.100 2.308 2.183 2.444 . 0 0 "[ . 1 . 2]" 1
1789 1 103 THR HA 1 104 THR H . . 2.840 2.150 2.140 2.170 . 0 0 "[ . 1 . 2]" 1
1790 1 103 THR HB 1 104 THR H . . 4.440 4.237 4.066 4.404 . 0 0 "[ . 1 . 2]" 1
1791 1 103 THR MG 1 104 THR H . . 3.480 2.835 2.420 3.249 . 0 0 "[ . 1 . 2]" 1
1792 1 104 THR H 1 104 THR HG1 . . 3.880 2.306 1.900 3.262 . 0 0 "[ . 1 . 2]" 1
1793 1 104 THR H 1 104 THR MG . . 3.330 2.495 2.213 2.885 . 0 0 "[ . 1 . 2]" 1
1794 1 104 THR HA 1 104 THR MG . . 3.310 2.238 2.075 2.387 . 0 0 "[ . 1 . 2]" 1
1795 1 104 THR HA 1 105 PHE H . . 2.990 2.401 2.306 2.514 . 0 0 "[ . 1 . 2]" 1
1796 1 104 THR HA 1 105 PHE HA . . 4.950 4.319 4.308 4.333 . 0 0 "[ . 1 . 2]" 1
1797 1 104 THR HB 1 105 PHE H . . 3.490 2.401 2.143 2.689 . 0 0 "[ . 1 . 2]" 1
1798 1 104 THR HG1 1 104 THR MG . . 3.220 2.720 2.107 3.039 . 0 0 "[ . 1 . 2]" 1
1799 1 104 THR MG 1 105 PHE H . . 4.070 3.546 3.325 3.722 . 0 0 "[ . 1 . 2]" 1
1800 1 104 THR MG 1 105 PHE QD . . 5.500 5.369 4.783 5.500 . 7 0 "[ . 1 . 2]" 1
1801 1 105 PHE H 1 105 PHE HB2 . . 3.430 2.398 2.288 2.540 . 0 0 "[ . 1 . 2]" 1
1802 1 105 PHE H 1 105 PHE HB3 . . 4.130 3.590 3.555 3.615 . 0 0 "[ . 1 . 2]" 1
1803 1 105 PHE H 1 105 PHE QD . . 4.220 3.191 2.883 3.412 . 0 0 "[ . 1 . 2]" 1
1804 1 105 PHE H 1 106 GLU H . . 4.800 4.594 4.524 4.631 . 0 0 "[ . 1 . 2]" 1
1805 1 105 PHE HA 1 105 PHE QD . . 3.480 2.167 2.006 2.451 . 0 0 "[ . 1 . 2]" 1
1806 1 105 PHE HA 1 105 PHE QE . . 5.500 4.331 4.223 4.503 . 0 0 "[ . 1 . 2]" 1
1807 1 105 PHE HA 1 106 GLU H . . 2.980 2.401 2.234 2.619 . 0 0 "[ . 1 . 2]" 1
1808 1 105 PHE HB2 1 106 GLU H . . 4.000 3.694 3.275 3.981 . 0 0 "[ . 1 . 2]" 1
1809 1 105 PHE HB3 1 106 GLU H . . 3.260 2.464 1.986 2.903 . 0 0 "[ . 1 . 2]" 1
1810 1 105 PHE QD 1 106 GLU H . . 4.250 3.510 3.172 3.824 . 0 0 "[ . 1 . 2]" 1
1811 1 106 GLU H 1 106 GLU HB2 . . 3.650 2.833 2.183 3.624 . 0 0 "[ . 1 . 2]" 1
1812 1 106 GLU H 1 106 GLU QB . . 3.050 2.367 2.161 2.579 . 0 0 "[ . 1 . 2]" 1
1813 1 106 GLU H 1 106 GLU HB3 . . 3.650 3.145 2.361 3.608 . 0 0 "[ . 1 . 2]" 1
1814 1 106 GLU H 1 106 GLU HG2 . . 4.150 3.263 1.951 4.125 . 0 0 "[ . 1 . 2]" 1
1815 1 106 GLU H 1 106 GLU QG . . 3.510 2.682 1.941 3.291 . 0 0 "[ . 1 . 2]" 1
1816 1 106 GLU H 1 106 GLU HG3 . . 4.150 3.238 2.386 3.989 . 0 0 "[ . 1 . 2]" 1
1817 1 106 GLU H 1 107 LEU H . . 4.780 4.564 4.443 4.646 . 0 0 "[ . 1 . 2]" 1
1818 1 106 GLU HA 1 106 GLU HG2 . . 4.170 3.053 2.255 3.804 . 0 0 "[ . 1 . 2]" 1
1819 1 106 GLU HA 1 106 GLU QG . . 3.490 2.760 2.208 3.404 . 0 0 "[ . 1 . 2]" 1
1820 1 106 GLU HA 1 106 GLU HG3 . . 4.170 3.365 2.447 4.201 0.031 16 0 "[ . 1 . 2]" 1
1821 1 106 GLU HA 1 107 LEU H . . 2.880 2.194 2.139 2.329 . 0 0 "[ . 1 . 2]" 1
1822 1 106 GLU QB 1 107 LEU H . . 3.640 3.041 2.626 3.374 . 0 0 "[ . 1 . 2]" 1
1823 1 106 GLU QB 1 107 LEU HA . . 5.340 4.521 4.237 4.895 . 0 0 "[ . 1 . 2]" 1
1824 1 106 GLU HB2 1 107 LEU H . . 4.480 3.742 2.665 4.407 . 0 0 "[ . 1 . 2]" 1
1825 1 106 GLU HB3 1 107 LEU H . . 4.480 3.577 2.926 4.187 . 0 0 "[ . 1 . 2]" 1
1826 1 106 GLU QG 1 107 LEU H . . 4.110 3.881 3.457 4.111 0.001 4 0 "[ . 1 . 2]" 1
1827 1 107 LEU H 1 107 LEU HB2 . . 3.420 2.659 2.137 3.290 . 0 0 "[ . 1 . 2]" 1
1828 1 107 LEU H 1 107 LEU HB3 . . 3.420 2.637 2.275 3.481 0.061 14 0 "[ . 1 . 2]" 1
1829 1 107 LEU H 1 107 LEU MD1 . . 4.660 4.246 4.000 4.432 . 0 0 "[ . 1 . 2]" 1
1830 1 107 LEU H 1 107 LEU MD2 . . 4.660 4.207 3.516 4.405 . 0 0 "[ . 1 . 2]" 1
1831 1 107 LEU H 1 107 LEU HG . . 4.370 4.266 3.398 4.431 0.061 4 0 "[ . 1 . 2]" 1
1832 1 107 LEU H 1 108 SER H . . 4.810 3.059 2.220 4.542 . 0 0 "[ . 1 . 2]" 1
1833 1 107 LEU HA 1 107 LEU MD1 . . 4.000 2.786 2.080 3.804 . 0 0 "[ . 1 . 2]" 1
1834 1 107 LEU HA 1 107 LEU QD . . 3.170 2.286 1.872 2.844 . 0 0 "[ . 1 . 2]" 1
1835 1 107 LEU HA 1 107 LEU MD2 . . 4.000 3.275 1.903 3.974 . 0 0 "[ . 1 . 2]" 1
1836 1 107 LEU QB 1 107 LEU QD . . 2.860 1.928 1.850 2.051 . 0 0 "[ . 1 . 2]" 1
1837 1 107 LEU QB 1 108 SER H . . 4.380 2.874 2.032 4.034 . 0 0 "[ . 1 . 2]" 1
1838 1 107 LEU HB2 1 108 SER H . . 5.120 3.915 2.751 4.643 . 0 0 "[ . 1 . 2]" 1
1839 1 107 LEU HB3 1 108 SER H . . 5.120 3.055 2.051 4.513 . 0 0 "[ . 1 . 2]" 1
1840 1 107 LEU QD 1 108 SER H . . 4.430 3.345 2.558 4.073 . 0 0 "[ . 1 . 2]" 1
1841 1 107 LEU HG 1 108 SER H . . 5.460 3.939 2.915 5.122 . 0 0 "[ . 1 . 2]" 1
1842 1 108 SER H 1 108 SER QB . . 3.900 2.491 2.172 3.159 . 0 0 "[ . 1 . 2]" 1
1843 1 108 SER QB 1 109 GLY H . . 4.510 3.201 2.099 4.023 . 0 0 "[ . 1 . 2]" 1
1844 1 109 GLY QA 1 110 PRO HD2 . . 3.010 2.163 1.941 2.583 . 0 0 "[ . 1 . 2]" 1
1845 1 109 GLY QA 1 110 PRO QD . . 2.530 1.988 1.876 2.206 . 0 0 "[ . 1 . 2]" 1
1846 1 109 GLY QA 1 110 PRO HD3 . . 3.010 2.385 2.240 2.889 . 0 0 "[ . 1 . 2]" 1
1847 1 109 GLY QA 1 110 PRO QG . . 4.210 3.727 3.650 4.000 . 0 0 "[ . 1 . 2]" 1
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